smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1nc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)cs1 ZINC000076900707 185052280 /nfs/dbraw/zinc/05/22/80/185052280.db2.gz UENXPEDSOFCYBK-GFCCVEGCSA-N 0 0 321.465 4.322 20 10 DICDRN Cc1cc(C(=O)NC2CCCCC2)c(C)n1-c1ccc(F)cc1 ZINC000007158103 181443114 /nfs/dbraw/zinc/44/31/14/181443114.db2.gz GHKAEQQTNJGAAS-UHFFFAOYSA-N 0 0 314.404 4.296 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(F)cc1 ZINC000019943906 182168743 /nfs/dbraw/zinc/16/87/43/182168743.db2.gz LUVZQRNREKOCDP-UHFFFAOYSA-N 0 0 300.160 4.128 20 10 DICDRN COc1ccc(O)c([C@@H](C)Nc2cccc(Br)c2)c1 ZINC000019941816 182168171 /nfs/dbraw/zinc/16/81/71/182168171.db2.gz XQDRQBMFRGTOJC-SNVBAGLBSA-N 0 0 322.202 4.336 20 10 DICDRN C[C@H](Sc1ccccc1Cl)C(=O)Nc1ccc(N)cc1 ZINC000020020977 182179976 /nfs/dbraw/zinc/17/99/76/182179976.db2.gz NHZIWDFZBKQBBR-JTQLQIEISA-N 0 0 306.818 4.042 20 10 DICDRN COc1cc(N[C@H](C)c2ccccc2O)c(OC)cc1Cl ZINC000021506492 182276025 /nfs/dbraw/zinc/27/60/25/182276025.db2.gz GOYDPWINDLGJFO-SNVBAGLBSA-N 0 0 307.777 4.236 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCc1ccsc1 ZINC000042599330 183289381 /nfs/dbraw/zinc/28/93/81/183289381.db2.gz OTJJDFFDDULMSK-UHFFFAOYSA-N 0 0 302.226 4.093 20 10 DICDRN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273385077 130114711 /nfs/dbraw/zinc/11/47/11/130114711.db2.gz JIWCHIXQQICJNJ-STQMWFEESA-N 0 0 300.358 4.021 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)c1ccc(F)cc1[O-] ZINC000273503621 130129434 /nfs/dbraw/zinc/12/94/34/130129434.db2.gz QOMHREDMGJUANY-UKRRQHHQSA-N 0 0 307.409 4.064 20 10 DICDRN CCc1ccc([C@@H](COC)[NH2+][C@@H](C)c2ccc(C)c(C)c2O)o1 ZINC000273581520 130140370 /nfs/dbraw/zinc/14/03/70/130140370.db2.gz MSVFVMSTSCEVDJ-WMLDXEAASA-N 0 0 317.429 4.203 20 10 DICDRN CCc1ccc([C@@H](COC)[NH2+][C@H](C)c2ccc(C)c(C)c2O)o1 ZINC000273581519 130140672 /nfs/dbraw/zinc/14/06/72/130140672.db2.gz MSVFVMSTSCEVDJ-RHSMWYFYSA-N 0 0 317.429 4.203 20 10 DICDRN Cc1cc(C)c([C@H](C)Nc2ccc3ccn(C)c(=O)c3c2)c(O)c1 ZINC000284252211 131063844 /nfs/dbraw/zinc/06/38/44/131063844.db2.gz RJFGPZDKBONZJO-AWEZNQCLSA-N 0 0 322.408 4.034 20 10 DICDRN CCOCc1ccccc1C[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000285754080 131199083 /nfs/dbraw/zinc/19/90/83/131199083.db2.gz RULRXLWCWIULSC-SFHVURJKSA-N 0 0 317.404 4.309 20 10 DICDRN C[C@@H](N[C@H](C)c1c(F)cncc1F)c1cc(Cl)ccc1O ZINC000285804552 131203517 /nfs/dbraw/zinc/20/35/17/131203517.db2.gz WDGJCODYTDNSCE-RKDXNWHRSA-N 0 0 312.747 4.131 20 10 DICDRN CCc1nc([C@H](C)[NH2+][C@@H](CC)c2ccc(F)cc2[O-])cs1 ZINC000286186064 131224160 /nfs/dbraw/zinc/22/41/60/131224160.db2.gz QZKJYWDAIOXXFP-GWCFXTLKSA-N 0 0 308.422 4.352 20 10 DICDRN CC[C@@H]([NH2+]CC1=CCCOC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287171157 131267919 /nfs/dbraw/zinc/26/79/19/131267919.db2.gz UPPIUKHRHIUVDK-CQSZACIVSA-N 0 0 316.228 4.086 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccccc1COC)c1cccc(Cl)c1[O-] ZINC000287714609 131296501 /nfs/dbraw/zinc/29/65/01/131296501.db2.gz OGHWVCCPHYYMEE-QGZVFWFLSA-N 0 0 319.832 4.433 20 10 DICDRN CCN(CC)c1ccc(CNc2cccc(NC(C)=O)c2)cc1 ZINC000074333697 331671015 /nfs/dbraw/zinc/67/10/15/331671015.db2.gz RIZBNASJCRPXBG-UHFFFAOYSA-N 0 0 311.429 4.103 20 10 DICDRN CCCC[C@H](C)N(C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000460681253 333124405 /nfs/dbraw/zinc/12/44/05/333124405.db2.gz PSNZPXWMEJWAEV-AWEZNQCLSA-N 0 0 315.461 4.207 20 10 DICDRN CCC(CC)c1cc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])on1 ZINC000187735912 333237004 /nfs/dbraw/zinc/23/70/04/333237004.db2.gz QOAOIAILICUBLV-JTQLQIEISA-N 0 0 324.371 4.413 20 10 DICDRN CCOc1cc(N[C@@H](C)c2ccc(C)cc2O)ccc1OC ZINC000192818033 336264199 /nfs/dbraw/zinc/26/41/99/336264199.db2.gz WWMCNDBMVKETGD-ZDUSSCGKSA-N 0 0 301.386 4.281 20 10 DICDRN Cc1cccc2ncnc(N[C@@H](C)c3ccc(N(C)C)cc3)c12 ZINC000302472262 336359434 /nfs/dbraw/zinc/35/94/34/336359434.db2.gz WSGJZBBKPBXNPL-AWEZNQCLSA-N 0 0 306.413 4.177 20 10 DICDRN CCCN(Cc1ccccc1O)c1ccc(C(F)(F)F)cn1 ZINC000302684296 336364888 /nfs/dbraw/zinc/36/48/88/336364888.db2.gz QAXBEJINAIYYPH-UHFFFAOYSA-N 0 0 310.319 4.223 20 10 DICDRN COc1ccccc1[C@H](NCc1cccc(C)c1O)c1ccco1 ZINC000181363384 337181791 /nfs/dbraw/zinc/18/17/91/337181791.db2.gz CUQCGYTWTGOTEG-IBGZPJMESA-N 0 0 323.392 4.181 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCCOc2ccccc21)c1ccc(F)cc1[O-] ZINC000185270432 337203828 /nfs/dbraw/zinc/20/38/28/337203828.db2.gz YYGTURLHPANNRA-BLLLJJGKSA-N 0 0 301.361 4.096 20 10 DICDRN CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(Cl)c(Cl)c1[O-] ZINC000186194085 337254387 /nfs/dbraw/zinc/25/43/87/337254387.db2.gz LTOOCUGAOASIED-NZBQSGDWSA-N 0 0 316.228 4.060 20 10 DICDRN C[C@@H]([NH2+]CC[C@H]1CCCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000527929105 337776074 /nfs/dbraw/zinc/77/60/74/337776074.db2.gz OCYBBIBNAFIPKK-GHMZBOCLSA-N 0 0 318.244 4.166 20 10 DICDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H](C)c1cccc(C)c1 ZINC000471231116 339340703 /nfs/dbraw/zinc/34/07/03/339340703.db2.gz YLJYLGVBWCQJNC-HNNXBMFYSA-N 0 0 320.436 4.215 20 10 DICDRN COc1ccc(C(C)(C)[NH2+]Cc2cccc(Cl)c2[O-])cc1F ZINC000529654524 340766941 /nfs/dbraw/zinc/76/69/41/340766941.db2.gz WVWIYRADKLXZKW-UHFFFAOYSA-N 0 0 323.795 4.218 20 10 DICDRN COc1ccc(OC(F)F)c(N[C@@H]2CCc3cccc(O)c32)c1 ZINC000296228697 341716552 /nfs/dbraw/zinc/71/65/52/341716552.db2.gz AJYLXKRKUBVNTC-GFCCVEGCSA-N 0 0 321.323 4.102 20 10 DICDRN CC(=O)Nc1ccc(N[C@@H](C)c2cc3c(cc2O)CCCC3)cc1 ZINC000186380034 519726951 /nfs/dbraw/zinc/72/69/51/519726951.db2.gz QRHPJCRUFZBHBN-ZDUSSCGKSA-N 0 0 324.424 4.403 20 10 DICDRN CC(C)c1ccc(CN(C(=O)Cc2ccc(N)cc2)C2CC2)cc1 ZINC000236711250 519835644 /nfs/dbraw/zinc/83/56/44/519835644.db2.gz MCRVRPRLOINXQU-UHFFFAOYSA-N 0 0 322.452 4.126 20 10 DICDRN CCOc1cccc(CNc2cnn(C3CCCC3)c2C)c1O ZINC000195456100 521377965 /nfs/dbraw/zinc/37/79/65/521377965.db2.gz RFTSCDKQKFFFMO-UHFFFAOYSA-N 0 0 315.417 4.023 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)Nc1cc(F)ccc1C ZINC000118790993 521688572 /nfs/dbraw/zinc/68/85/72/521688572.db2.gz GBOVQKPFOPXORM-UHFFFAOYSA-N 0 0 316.376 4.284 20 10 DICDRN CC[C@H](N[C@H](C)c1noc(-c2ccccc2)n1)c1ccccc1O ZINC000156363088 522744116 /nfs/dbraw/zinc/74/41/16/522744116.db2.gz NQERWDHMPBABEG-CJNGLKHVSA-N 0 0 323.396 4.244 20 10 DICDRN CC[C@H](Nc1ccc2c(c1)CCC(=O)N2CC)c1ccccc1O ZINC000158109502 522769862 /nfs/dbraw/zinc/76/98/62/522769862.db2.gz VHHHOYQNAGTGRQ-KRWDZBQOSA-N 0 0 324.424 4.255 20 10 DICDRN CO[C@H]1CCN(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000267809779 523991903 /nfs/dbraw/zinc/99/19/03/523991903.db2.gz ZOGLZIOWFQNDMG-UAFUQJIBSA-N 0 0 324.384 4.355 20 10 DICDRN Cc1cccc([C@@H]2CCCCN2C(=O)Cc2ccc(N)cc2)c1C ZINC000237788692 524841804 /nfs/dbraw/zinc/84/18/04/524841804.db2.gz KXFWEDVQHMFRLD-FQEVSTJZSA-N 0 0 322.452 4.182 20 10 DICDRN Cc1ccc(O)c([C@H](C)Nc2ccc(O[C@@H]3CCOC3)cc2)c1 ZINC000186320747 525364255 /nfs/dbraw/zinc/36/42/55/525364255.db2.gz NIRJTHWYXZLFQY-WMLDXEAASA-N 0 0 313.397 4.041 20 10 DICDRN C[C@H](NCc1nccs1)c1ccc(N2CCCCC2)c(F)c1 ZINC000128130463 525492276 /nfs/dbraw/zinc/49/22/76/525492276.db2.gz LDIAGBPLUTUDNO-ZDUSSCGKSA-N 0 0 319.449 4.123 20 10 DICDRN C[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)c1ccc(F)c(F)c1[O-] ZINC000187921437 525518905 /nfs/dbraw/zinc/51/89/05/525518905.db2.gz MREAXQJALUTAAX-SECBINFHSA-N 0 0 313.294 4.459 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCCOc2cc(F)ccc21)c1ccc(F)cc1[O-] ZINC000186374218 525635404 /nfs/dbraw/zinc/63/54/04/525635404.db2.gz CZZWDHJGFOOPLF-BDJLRTHQSA-N 0 0 319.351 4.235 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(F)c(F)c1[O-] ZINC000191196668 525638959 /nfs/dbraw/zinc/63/89/59/525638959.db2.gz LSCGTJKEJZINJT-KXUCPTDWSA-N 0 0 323.305 4.442 20 10 DICDRN C[C@@H](Nc1ccc(N2CCSCC2)cc1)c1ccccc1O ZINC000183698828 525708194 /nfs/dbraw/zinc/70/81/94/525708194.db2.gz YIQKGMOVQWYLEV-CQSZACIVSA-N 0 0 314.454 4.119 20 10 DICDRN Cc1csc(C2([NH2+]Cc3cccc(Cl)c3[O-])CCCC2)n1 ZINC000182217450 526326020 /nfs/dbraw/zinc/32/60/20/526326020.db2.gz ATQSNFAECXRIEF-UHFFFAOYSA-N 0 0 322.861 4.370 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000158098266 526328888 /nfs/dbraw/zinc/32/88/88/526328888.db2.gz IMUJJYILFLAXBD-MNOVXSKESA-N 0 0 307.743 4.256 20 10 DICDRN CC[C@@H]([NH2+]Cc1cccc(OC)c1)c1cccc(Cl)c1[O-] ZINC000287141587 535806161 /nfs/dbraw/zinc/80/61/61/535806161.db2.gz ZGBNNSFSSVLWSY-MRXNPFEDSA-N 0 0 305.805 4.295 20 10 DICDRN CC[C@@H]([NH2+][C@H](CCCO)c1ccccc1)c1ccc(F)cc1[O-] ZINC000286119482 535808931 /nfs/dbraw/zinc/80/89/31/535808931.db2.gz OADNNYLGOCKJQK-QZTJIDSGSA-N 0 0 317.404 4.086 20 10 DICDRN CC[C@@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1ccc(F)cc1[O-] ZINC000286366122 535809192 /nfs/dbraw/zinc/80/91/92/535809192.db2.gz ZYIFTWUZWWJKQW-GOEBONIOSA-N 0 0 307.409 4.064 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CCCOCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287576084 535933401 /nfs/dbraw/zinc/93/34/01/535933401.db2.gz HAYVVHXHAGFKAU-RISCZKNCSA-N 0 0 318.244 4.309 20 10 DICDRN C[C@H]([NH2+]CC1(C)CCC1)c1cc(Br)cc(F)c1[O-] ZINC000756739934 1046125571 /nfs/dbraw/zinc/12/55/71/1046125571.db2.gz SNPSWLZTEVUXDH-VIFPVBQESA-N 0 0 316.214 4.135 20 10 DICDRN CC[C@@H]1CCC[C@]1(C)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC001625794466 1035689741 /nfs/dbraw/zinc/68/97/41/1035689741.db2.gz IPKDGQQPUGSTHW-XLIONFOSSA-N 0 0 316.489 4.318 20 10 DICDRN Oc1ccc(Cl)cc1CNc1cccc(-c2cnco2)c1 ZINC000037779457 1036131462 /nfs/dbraw/zinc/13/14/62/1036131462.db2.gz MAJLONPLIUGVLQ-UHFFFAOYSA-N 0 0 300.745 4.313 20 10 DICDRN CC[C@@H]([NH2+][C@@H]1COc2c1ccc(C)c2C)c1ccc(F)cc1[O-] ZINC000796821538 1036182394 /nfs/dbraw/zinc/18/23/94/1036182394.db2.gz VLGQLKAWBPVQET-IAGOWNOFSA-N 0 0 315.388 4.323 20 10 DICDRN CCc1ccccc1NC(=S)NNc1ccccc1Cl ZINC000007351186 1036296821 /nfs/dbraw/zinc/29/68/21/1036296821.db2.gz HHQPYANLSCBCQO-UHFFFAOYSA-N 0 0 305.834 4.216 20 10 DICDRN COc1cccc(NCc2cc(OC)cc(C(C)(C)C)c2O)c1 ZINC001648854428 1036645685 /nfs/dbraw/zinc/64/56/85/1036645685.db2.gz ZEFVVFDQJLXLHU-UHFFFAOYSA-N 0 0 315.413 4.319 20 10 DICDRN C[C@@H](NC(=O)[C@H]1CCC[C@H]1Cc1ccccc1)c1ccccc1O ZINC001648891986 1036677660 /nfs/dbraw/zinc/67/76/60/1036677660.db2.gz KNRVZIOQEPYGFC-AYBZRNKSSA-N 0 0 323.436 4.228 20 10 DICDRN Nc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 ZINC000160366581 1036938511 /nfs/dbraw/zinc/93/85/11/1036938511.db2.gz OHIDVGJMZCGPAT-UHFFFAOYSA-N 0 0 314.816 4.373 20 10 DICDRN CCc1cccc(CC)c1NC(=S)NCc1ccccc1O ZINC000748157012 1037006293 /nfs/dbraw/zinc/00/62/93/1037006293.db2.gz IITJBBPLAUXHQU-UHFFFAOYSA-N 0 0 314.454 4.004 20 10 DICDRN Cc1ccc2c(CSc3nccs3)cc(=O)oc2c1C ZINC000048874706 1037049427 /nfs/dbraw/zinc/04/94/27/1037049427.db2.gz HJYQASGHLPUMKX-UHFFFAOYSA-N 0 0 303.408 4.159 20 10 DICDRN COc1cc(N(C)C[C@H](C)C2CCCCC2)cc(OC)c1OC ZINC001167402089 1037139751 /nfs/dbraw/zinc/13/97/51/1037139751.db2.gz IUDGTBPYFJNRIQ-AWEZNQCLSA-N 0 0 321.461 4.365 20 10 DICDRN COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])cc1 ZINC000276003474 1037371578 /nfs/dbraw/zinc/37/15/78/1037371578.db2.gz ARAKTHWRSARUGD-QWRGUYRKSA-N 0 0 307.340 4.091 20 10 DICDRN Cc1cnc(F)c(Nc2ccc(Cc3ccc(N)cc3)cc2)c1 ZINC001211506380 1037380587 /nfs/dbraw/zinc/38/05/87/1037380587.db2.gz WBEZTQNJGOSLDH-UHFFFAOYSA-N 0 0 307.372 4.446 20 10 DICDRN CSc1cc(F)ccc1NC(=O)N[C@@H](C)c1ccccc1O ZINC001625871036 1037846826 /nfs/dbraw/zinc/84/68/26/1037846826.db2.gz AJRMTGRLALANCB-JTQLQIEISA-N 0 0 320.389 4.136 20 10 DICDRN Cc1ccc(N(C)Cc2c(O)cccc2Br)c(C)c1 ZINC000707160807 1037875788 /nfs/dbraw/zinc/87/57/88/1037875788.db2.gz PVXZUMUCNZWERE-UHFFFAOYSA-N 0 0 320.230 4.408 20 10 DICDRN CCc1nc2cc(N[C@H](C)c3ccc(F)cc3O)ccc2o1 ZINC000170789591 1038203388 /nfs/dbraw/zinc/20/33/88/1038203388.db2.gz QGICDWNQJZKTOO-SNVBAGLBSA-N 0 0 300.333 4.408 20 10 DICDRN C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1ccc(F)cc1[O-] ZINC000170788769 1038209186 /nfs/dbraw/zinc/20/91/86/1038209186.db2.gz UIQSRBIYSOTIIP-SNVBAGLBSA-N 0 0 313.294 4.401 20 10 DICDRN C[C@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccc(F)c(F)c1[O-] ZINC000276883760 1038265981 /nfs/dbraw/zinc/26/59/81/1038265981.db2.gz GPDLDFNYDCTESV-VFZGTOFNSA-N 0 0 307.315 4.148 20 10 DICDRN CSCc1cccc(C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])c1 ZINC000276901074 1038272232 /nfs/dbraw/zinc/27/22/32/1038272232.db2.gz JAXCBWBRJJNZRU-LLVKDONJSA-N 0 0 323.408 4.384 20 10 DICDRN CCN(C)c1ccc([C@H](C)Nc2cnn([C@@H](C)C3CC3)c2)cc1 ZINC000187622938 1038281482 /nfs/dbraw/zinc/28/14/82/1038281482.db2.gz DHKYLHIBLMIHLI-GJZGRUSLSA-N 0 0 312.461 4.483 20 10 DICDRN C[C@@H]1CCN(C(=O)/C=C\c2cccnc2)c2ccccc2S1 ZINC000255422970 1038397135 /nfs/dbraw/zinc/39/71/35/1038397135.db2.gz DOAANVAGWHEISR-QIAWRQBBSA-N 0 0 310.422 4.012 20 10 DICDRN CC(C)c1ccc([C@@H](C)CC(=O)NCCc2ccc(N)cc2)cc1 ZINC000236691633 1038437430 /nfs/dbraw/zinc/43/74/30/1038437430.db2.gz MQQAHTPZVHGRAX-INIZCTEOSA-N 0 0 324.468 4.245 20 10 DICDRN CN(Cc1ccccc1O)C(=O)NCc1ccc(C2CCC2)cc1 ZINC000277273612 1038476454 /nfs/dbraw/zinc/47/64/54/1038476454.db2.gz RXXXCCSVSQEDLV-UHFFFAOYSA-N 0 0 324.424 4.001 20 10 DICDRN CC[C@@H](Nc1ccc(O[C@H]2CCOC2)cc1)c1ccccc1O ZINC000157318829 1038532789 /nfs/dbraw/zinc/53/27/89/1038532789.db2.gz KDCMIAKUJMZCPP-FUHWJXTLSA-N 0 0 313.397 4.123 20 10 DICDRN COc1ccc(O)c(CNc2cc(C)cc(Br)c2)c1 ZINC000230234968 1038555737 /nfs/dbraw/zinc/55/57/37/1038555737.db2.gz PQAOUHLGDCFBKI-UHFFFAOYSA-N 0 0 322.202 4.084 20 10 DICDRN C[C@@H](Nc1ccc(N(C)C)c(Cl)c1)c1ccc(F)cc1O ZINC000062747745 1038624425 /nfs/dbraw/zinc/62/44/25/1038624425.db2.gz XKXZETMZLFOHNZ-SNVBAGLBSA-N 0 0 308.784 4.424 20 10 DICDRN CC[C@H]([NH2+]Cc1cccc(Br)c1[O-])c1ccccc1 ZINC000051627352 1038642869 /nfs/dbraw/zinc/64/28/69/1038642869.db2.gz WGKFATIQUUPETL-HNNXBMFYSA-N 0 0 320.230 4.396 20 10 DICDRN CC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1)c1ccc(F)cc1[O-] ZINC000796839723 1038659280 /nfs/dbraw/zinc/65/92/80/1038659280.db2.gz JELJCOYZVOAYGG-QGZVFWFLSA-N 0 0 303.377 4.089 20 10 DICDRN CC(C)(C)c1csc(CNCc2c(O)cccc2Cl)n1 ZINC000113337812 1038699579 /nfs/dbraw/zinc/69/95/79/1038699579.db2.gz GRLJPYYFGOGTRN-UHFFFAOYSA-N 0 0 310.850 4.089 20 10 DICDRN Cc1csc(CSc2ncc(-c3ccccc3)n2C)n1 ZINC000173325622 1038712399 /nfs/dbraw/zinc/71/23/99/1038712399.db2.gz CMBSOZPWYYWLGN-UHFFFAOYSA-N 0 0 301.440 4.144 20 10 DICDRN CCCCC[C@@H]1CCCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001167601969 1038767668 /nfs/dbraw/zinc/76/76/68/1038767668.db2.gz CHJBZNYXSGIPFE-YBHKSSGVSA-N 0 0 317.429 4.072 20 10 DICDRN C[C@@H](CC(F)(F)F)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000231750785 1038775471 /nfs/dbraw/zinc/77/54/71/1038775471.db2.gz NAFRIUDVGALAEG-LURJTMIESA-N 0 0 302.123 4.130 20 10 DICDRN CCCn1c(C)nnc1CSc1ncc(C(C)(C)C)s1 ZINC000119554762 1038931854 /nfs/dbraw/zinc/93/18/54/1038931854.db2.gz AXDWDMLJXBMRNH-UHFFFAOYSA-N 0 0 310.492 4.043 20 10 DICDRN CCOC(=O)Nc1ccc(NCc2cc(Cl)ccc2O)cc1 ZINC000121922584 1038928804 /nfs/dbraw/zinc/92/88/04/1038928804.db2.gz KCIOODSCWAYDCA-UHFFFAOYSA-N 0 0 320.776 4.226 20 10 DICDRN CCCN(Cc1ccccc1O)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000174374632 1038930306 /nfs/dbraw/zinc/93/03/06/1038930306.db2.gz XYIBJZGPZDCRSB-ZDUSSCGKSA-N 0 0 317.433 4.046 20 10 DICDRN CC1CC[NH+](Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708132635 1038952690 /nfs/dbraw/zinc/95/26/90/1038952690.db2.gz FGKQLFBWEAOQSZ-UHFFFAOYSA-N 0 0 318.642 4.040 20 10 DICDRN Cc1cc(C(=O)N2CCC[C@@H]2C2CC2)c(C)n1-c1ccccc1C ZINC000728532921 1039031837 /nfs/dbraw/zinc/03/18/37/1039031837.db2.gz FZZHNLAKENYDMK-HXUWFJFHSA-N 0 0 322.452 4.417 20 10 DICDRN COc1ccc(N(CC[C@H]2CCOC2)Cc2cccs2)cc1 ZINC001167675656 1039749391 /nfs/dbraw/zinc/74/93/91/1039749391.db2.gz USZHYXKTPFUBMG-HNNXBMFYSA-N 0 0 317.454 4.190 20 10 DICDRN CCN(CC)c1ccc(CN[C@@H](C)c2nc(C)cs2)cc1F ZINC000152154709 1039976880 /nfs/dbraw/zinc/97/68/80/1039976880.db2.gz DYKIUSWGSWDKKD-ZDUSSCGKSA-N 0 0 321.465 4.288 20 10 DICDRN Cn1nccc1C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255634471 1040266795 /nfs/dbraw/zinc/26/67/95/1040266795.db2.gz DDXXHONHAYBDQB-UHFFFAOYSA-N 0 0 305.341 4.088 20 10 DICDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCCC2)cc1 ZINC000255631046 1040270838 /nfs/dbraw/zinc/27/08/38/1040270838.db2.gz GUDDDRYPTFQOEB-UHFFFAOYSA-N 0 0 322.412 4.404 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc(C)c(OC)c1)c1ccc(F)cc1[O-] ZINC000796720728 1040494174 /nfs/dbraw/zinc/49/41/74/1040494174.db2.gz QEDYCDRZGGVNTM-INIZCTEOSA-N 0 0 303.377 4.089 20 10 DICDRN Cn1c(Cl)cnc1CSc1ncc(C(C)(C)C)s1 ZINC000177121647 1040526488 /nfs/dbraw/zinc/52/64/88/1040526488.db2.gz NIDPTNCPGVBFAK-UHFFFAOYSA-N 0 0 301.868 4.120 20 10 DICDRN CCOc1ccc(N(C)Cc2noc(C3CCCCC3)n2)cc1 ZINC000747526485 1041023378 /nfs/dbraw/zinc/02/33/78/1041023378.db2.gz ROUUNMBBOYXEOR-UHFFFAOYSA-N 0 0 315.417 4.152 20 10 DICDRN Cc1ccc(/C=C2/SC(=S)N(Cc3cccs3)C2=O)o1 ZINC000255899832 1041109960 /nfs/dbraw/zinc/10/99/60/1041109960.db2.gz UTOWWNHWCCTRBE-KPKJPENVSA-N 0 0 321.448 4.051 20 10 DICDRN COc1cccc(O)c1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000809695102 1041216187 /nfs/dbraw/zinc/21/61/87/1041216187.db2.gz YUUFGDQEYACTRM-SCTDSRPQSA-N 0 0 323.436 4.169 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000809729518 1041224795 /nfs/dbraw/zinc/22/47/95/1041224795.db2.gz UTWRACALVCVZGA-OAHLLOKOSA-N 0 0 323.223 4.431 20 10 DICDRN CSc1cccc(F)c1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000809689556 1041225614 /nfs/dbraw/zinc/22/56/14/1041225614.db2.gz QLWIHEHDVXEWDC-UHFFFAOYSA-N 0 0 311.809 4.196 20 10 DICDRN C[C@@H](Nc1ccc2c(c1)OC(C)(C)O2)c1cc(F)ccc1O ZINC000176982605 1041229625 /nfs/dbraw/zinc/22/96/25/1041229625.db2.gz NGCZGIPIHFEJMA-SNVBAGLBSA-N 0 0 303.333 4.212 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1ccc(OC)cc1 ZINC000176983458 1041229787 /nfs/dbraw/zinc/22/97/87/1041229787.db2.gz BEQPYLBEEWENGJ-SJKOYZFVSA-N 0 0 303.377 4.342 20 10 DICDRN CCc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])o1 ZINC000809775994 1041238990 /nfs/dbraw/zinc/23/89/90/1041238990.db2.gz OFNLQCUDGNMXIX-UHFFFAOYSA-N 0 0 300.185 4.144 20 10 DICDRN C[N@H+](Cc1ccc(O)cc1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809753243 1041246502 /nfs/dbraw/zinc/24/65/02/1041246502.db2.gz FBVCPVOZVNRSLO-UHFFFAOYSA-N 0 0 312.196 4.037 20 10 DICDRN CC[C@H](c1ccncc1)[N@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000809765868 1041250247 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ZINC000810208724 1041347014 /nfs/dbraw/zinc/34/70/14/1041347014.db2.gz WTIBTZFQWWHEIK-CQSZACIVSA-N 0 0 319.367 4.267 20 10 DICDRN CC[C@H](C[NH2+][C@H](CC)c1ccc(Cl)c(Cl)c1[O-])OC ZINC000810260211 1041350199 /nfs/dbraw/zinc/35/01/99/1041350199.db2.gz GXUOVHFKEFKZPI-BXKDBHETSA-N 0 0 306.233 4.165 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)[C@@H](C)OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000810256947 1041357026 /nfs/dbraw/zinc/35/70/26/1041357026.db2.gz JCYZWZQPHUDHHK-JRKPZEMJSA-N 0 0 306.233 4.163 20 10 DICDRN CCN(C(=O)/C=C/c1cccnc1)c1ccc2ccccc2c1 ZINC000747663512 1041468863 /nfs/dbraw/zinc/46/88/63/1041468863.db2.gz VMUSECCMQHVIJQ-FMIVXFBMSA-N 0 0 302.377 4.301 20 10 DICDRN COc1ccc2c(c1)CCCCN2Cc1cn(C(C)C)nc1C ZINC000811508594 1041534120 /nfs/dbraw/zinc/53/41/20/1041534120.db2.gz YMRDJPKIAUSZNG-UHFFFAOYSA-N 0 0 313.445 4.124 20 10 DICDRN Oc1ccc(-c2csc(-c3cc(F)ccc3F)n2)cc1O ZINC000811633180 1041544108 /nfs/dbraw/zinc/54/41/08/1041544108.db2.gz JCQGZAQHJNWEOE-UHFFFAOYSA-N 0 0 305.305 4.167 20 10 DICDRN CC(C)Oc1ccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756396581 1041557226 /nfs/dbraw/zinc/55/72/26/1041557226.db2.gz PFYITIYPGWISFN-LBPRGKRZSA-N 0 0 321.367 4.308 20 10 DICDRN Cc1ccc2c(c1)/C(=C/c1ccc(Cl)nc1Cl)C(=O)N2C ZINC000811699678 1041560649 /nfs/dbraw/zinc/56/06/49/1041560649.db2.gz YFLYEDUXHCFVMU-WQLSENKSSA-N 0 0 319.191 4.214 20 10 DICDRN Cc1ccc(-c2nnc(NCc3ccc(N(C)C)cc3)o2)c(C)c1 ZINC000811838784 1041572756 /nfs/dbraw/zinc/57/27/56/1041572756.db2.gz DDKBFHDDZAGJKX-UHFFFAOYSA-N 0 0 322.412 4.032 20 10 DICDRN CCCC[C@@H](C)N(C)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000811960015 1041586638 /nfs/dbraw/zinc/58/66/38/1041586638.db2.gz MBGGOWGXIVBEQU-CQSZACIVSA-N 0 0 313.445 4.140 20 10 DICDRN CC(C)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000828576646 1041626425 /nfs/dbraw/zinc/62/64/25/1041626425.db2.gz QNCRQXVXJKSSAF-MRXNPFEDSA-N 0 0 316.470 4.477 20 10 DICDRN Cc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c(C)o1 ZINC000006456456 1041628167 /nfs/dbraw/zinc/62/81/67/1041628167.db2.gz 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/nfs/dbraw/zinc/68/90/15/1041689015.db2.gz OQKQOJTXTAADMV-UHFFFAOYSA-N 0 0 322.452 4.086 20 10 DICDRN COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc(C(C)(C)C)s2)c1 ZINC000813331099 1041697712 /nfs/dbraw/zinc/69/77/12/1041697712.db2.gz LHGDKYORUJXNBD-NSHDSACASA-N 0 0 320.458 4.006 20 10 DICDRN COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc(C(C)(C)C)s2)c1 ZINC000813331098 1041697675 /nfs/dbraw/zinc/69/76/75/1041697675.db2.gz LHGDKYORUJXNBD-LLVKDONJSA-N 0 0 320.458 4.006 20 10 DICDRN Cc1ccc(/C=C/C(=O)N2CCC[C@@H](C)c3ccccc32)cn1 ZINC001267924889 1041726951 /nfs/dbraw/zinc/72/69/51/1041726951.db2.gz GIWLKEZLDMZYMR-AYJWMTRPSA-N 0 0 306.409 4.334 20 10 DICDRN Cc1ccoc1C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000813882666 1041742402 /nfs/dbraw/zinc/74/24/02/1041742402.db2.gz GQNKJNGYXFTMBR-SECBINFHSA-N 0 0 300.185 4.451 20 10 DICDRN COCC(C)(C)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000813883027 1041742557 /nfs/dbraw/zinc/74/25/57/1041742557.db2.gz PHDGGAICLVWMQV-VIFPVBQESA-N 0 0 306.233 4.022 20 10 DICDRN CN(C)c1ccc(CN2CCCn3c(cc4ccccc43)C2)cc1 ZINC001170721902 1041759993 /nfs/dbraw/zinc/75/99/93/1041759993.db2.gz AUVXLKHZNGWJGD-UHFFFAOYSA-N 0 0 319.452 4.113 20 10 DICDRN Cc1cc(Cl)cc(CN2CC(C)(C)[C@@H]2c2cccnc2)c1O ZINC000814171240 1041778792 /nfs/dbraw/zinc/77/87/92/1041778792.db2.gz MBTYLBZPAGESGV-KRWDZBQOSA-N 0 0 316.832 4.332 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000814169433 1041782908 /nfs/dbraw/zinc/78/29/08/1041782908.db2.gz HRWYNYWELFZGLX-JTQLQIEISA-N 0 0 321.770 4.490 20 10 DICDRN C[C@@H]1C[C@H]1c1ccc(/C=C2/SC(=S)N(C3CCC3)C2=O)o1 ZINC000814185785 1041786956 /nfs/dbraw/zinc/78/69/56/1041786956.db2.gz PXQVGGKBIGNTAV-IRRDXNDKSA-N 0 0 319.451 4.157 20 10 DICDRN O=C1/C(=C\c2ccccc2C2CC2)SC(=S)N1C1CCC1 ZINC000814185967 1041787928 /nfs/dbraw/zinc/78/79/28/1041787928.db2.gz SESBHYRUMCLGAN-XNTDXEJSSA-N 0 0 315.463 4.318 20 10 DICDRN Cc1cccc(/C=C2\SC(=S)N(C3CCC3)C2=O)c1C ZINC000814185969 1041788138 /nfs/dbraw/zinc/78/81/38/1041788138.db2.gz SHBYKTIOLPJPRT-ZROIWOOFSA-N 0 0 303.452 4.057 20 10 DICDRN Cc1cccc(/C=C2/SC(=S)N(C3CCC3)C2=O)c1C ZINC000814185968 1041788219 /nfs/dbraw/zinc/78/82/19/1041788219.db2.gz SHBYKTIOLPJPRT-NTEUORMPSA-N 0 0 303.452 4.057 20 10 DICDRN Cc1ccc(C)c(/C=C2/SC(=S)N(C3CCC3)C2=O)c1 ZINC000814185209 1041788410 /nfs/dbraw/zinc/78/84/10/1041788410.db2.gz BOENTYSFWDFAJO-NTEUORMPSA-N 0 0 303.452 4.057 20 10 DICDRN CCC(CC)c1cc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])on1 ZINC000756613762 1041793842 /nfs/dbraw/zinc/79/38/42/1041793842.db2.gz QQIIXJZLTQMXRR-JTQLQIEISA-N 0 0 324.371 4.413 20 10 DICDRN COc1ccc(Cl)cc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000162772029 1041804194 /nfs/dbraw/zinc/80/41/94/1041804194.db2.gz YFXYCTQOKOJNAP-CYBMUJFWSA-N 0 0 318.848 4.265 20 10 DICDRN CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756625413 1041808049 /nfs/dbraw/zinc/80/80/49/1041808049.db2.gz KOGVTFJERGVCHY-GMTAPVOTSA-N 0 0 320.260 4.147 20 10 DICDRN CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756643122 1041828827 /nfs/dbraw/zinc/82/88/27/1041828827.db2.gz RNTBWALMMIQQKJ-SGIREYDYSA-N 0 0 324.446 4.015 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CC[C@H](C)CC2)cc1 ZINC001125971536 1041839937 /nfs/dbraw/zinc/83/99/37/1041839937.db2.gz XNAKTTIXZIBDMP-PPUGGXLSSA-N 0 0 310.441 4.403 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)C(C)(C)C ZINC000814640982 1041846841 /nfs/dbraw/zinc/84/68/41/1041846841.db2.gz ZSUWADXUKCTXNY-UHFFFAOYSA-N 0 0 304.478 4.173 20 10 DICDRN CCc1ccc(CSc2ncc(-c3ccccc3)n2C)nc1 ZINC000814731276 1041856248 /nfs/dbraw/zinc/85/62/48/1041856248.db2.gz NNESUOFTTHZXJO-UHFFFAOYSA-N 0 0 309.438 4.337 20 10 DICDRN Cc1cc(N(C)C)ccc1CNC(=O)CC1CCC(C)(C)CC1 ZINC001126005056 1041870186 /nfs/dbraw/zinc/87/01/86/1041870186.db2.gz WOXGIRLOEQBLFD-UHFFFAOYSA-N 0 0 316.489 4.284 20 10 DICDRN Cc1cc(CN[C@@H](c2ccccc2)C(F)F)ccc1N(C)C ZINC000815121019 1041914656 /nfs/dbraw/zinc/91/46/56/1041914656.db2.gz HYXQVTZSIQVOPL-KRWDZBQOSA-N 0 0 304.384 4.157 20 10 DICDRN CN(C)c1ccc(CNc2ccc([C@H]3CCOC3)cc2)cc1F ZINC000815153994 1041920609 /nfs/dbraw/zinc/92/06/09/1041920609.db2.gz LANFTMBPLCGDKM-INIZCTEOSA-N 0 0 314.404 4.008 20 10 DICDRN C[C@@H]([NH2+]Cc1ccccc1F)c1cccc(C(F)(F)F)c1[O-] ZINC000815553604 1041961398 /nfs/dbraw/zinc/96/13/98/1041961398.db2.gz DSKKDTDWVGIJMW-SNVBAGLBSA-N 0 0 313.294 4.401 20 10 DICDRN COC(C)(C)C[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815584093 1041966788 /nfs/dbraw/zinc/96/67/88/1041966788.db2.gz VJCAVJZXUHXAFL-QWRGUYRKSA-N 0 0 319.367 4.265 20 10 DICDRN CO[C@@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])C(C)(C)C ZINC000815585511 1041967033 /nfs/dbraw/zinc/96/70/33/1041967033.db2.gz JTKMKARDCOLYNY-MFKMUULPSA-N 0 0 319.367 4.123 20 10 DICDRN CS[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000815584179 1041967481 /nfs/dbraw/zinc/96/74/81/1041967481.db2.gz XNHDJOUMFSZFCB-HBNTYKKESA-N 0 0 319.392 4.346 20 10 DICDRN C[C@@H]([NH2+]CCNc1ccccc1)c1cccc(C(F)(F)F)c1[O-] ZINC000815586315 1041968524 /nfs/dbraw/zinc/96/85/24/1041968524.db2.gz FRKAANBVWAFGCC-GFCCVEGCSA-N 0 0 324.346 4.174 20 10 DICDRN Cc1cc(C)c([C@@H](C)Nc2ccc3ccc(=O)n(C)c3c2)c(O)c1 ZINC000815621340 1041975949 /nfs/dbraw/zinc/97/59/49/1041975949.db2.gz ROPNVXDMHYFJSB-CQSZACIVSA-N 0 0 322.408 4.034 20 10 DICDRN CCOCC(C)(C)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815626950 1041977704 /nfs/dbraw/zinc/97/77/04/1041977704.db2.gz PGZJARVPBJQBJN-LLVKDONJSA-N 0 0 319.367 4.124 20 10 DICDRN COc1cc(N[C@H](C)c2ccc(F)cc2O)cc(OC)c1C ZINC000815631181 1041978457 /nfs/dbraw/zinc/97/84/57/1041978457.db2.gz RNLPGWAPLDMGCM-LLVKDONJSA-N 0 0 305.349 4.030 20 10 DICDRN CC[C@H](Nc1cc(OC)c(C)c(OC)c1)c1ccccc1O ZINC000815630909 1041978786 /nfs/dbraw/zinc/97/87/86/1041978786.db2.gz CGRJFSKDSSRQBM-HNNXBMFYSA-N 0 0 301.386 4.281 20 10 DICDRN C[C@H]([NH2+][C@H]1CCC(F)(F)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815607905 1041981222 /nfs/dbraw/zinc/98/12/22/1041981222.db2.gz LKGSZPDCSSGBBL-IUCAKERBSA-N 0 0 309.278 4.249 20 10 DICDRN CCc1noc(C)c1C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000815640936 1041982286 /nfs/dbraw/zinc/98/22/86/1041982286.db2.gz KPLZWWNAALWXQN-JTQLQIEISA-N 0 0 308.809 4.064 20 10 DICDRN CC(F)(F)CN[C@@H](CCc1ccccc1)c1ccccc1O ZINC000815644543 1041982654 /nfs/dbraw/zinc/98/26/54/1041982654.db2.gz FHZXOFGNKYJTNG-INIZCTEOSA-N 0 0 305.368 4.311 20 10 DICDRN COC1(CC[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])CCC1 ZINC000815642160 1041983313 /nfs/dbraw/zinc/98/33/13/1041983313.db2.gz UDLHWSZQGLUBLM-SNVBAGLBSA-N 0 0 318.244 4.309 20 10 DICDRN C[C@@H](NCc1c(F)cc(F)cc1F)c1ccc(N(C)C)cc1 ZINC000815650054 1041985229 /nfs/dbraw/zinc/98/52/29/1041985229.db2.gz HKWRJUIPPIVLOP-LLVKDONJSA-N 0 0 308.347 4.021 20 10 DICDRN CC[C@H]([NH2+][C@@H](CC)C(C)(C)O)c1cc(Cl)cc(Cl)c1[O-] ZINC000815652346 1041985412 /nfs/dbraw/zinc/98/54/12/1041985412.db2.gz YVIQRYZGPIJKEL-STQMWFEESA-N 0 0 320.260 4.289 20 10 DICDRN Cc1cc(C(=O)N2CCCCCC2)c(C)n1-c1ccccc1C ZINC001135437519 1042029566 /nfs/dbraw/zinc/02/95/66/1042029566.db2.gz AIGCOZOIRBLGSV-UHFFFAOYSA-N 0 0 310.441 4.419 20 10 DICDRN CN(Cc1ccccc1)c1ccc(Nc2ccc(N)cc2)cn1 ZINC001159484787 1042039971 /nfs/dbraw/zinc/03/99/71/1042039971.db2.gz ARWQCIQBDUSUHL-UHFFFAOYSA-N 0 0 304.397 4.044 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCCC[C@H]1C ZINC001135513103 1042042205 /nfs/dbraw/zinc/04/22/05/1042042205.db2.gz RVQBTYHCSOOIKE-IUODEOHRSA-N 0 0 316.470 4.464 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000816531524 1042061145 /nfs/dbraw/zinc/06/11/45/1042061145.db2.gz UXEXQWTWCFCFSB-OAHLLOKOSA-N 0 0 311.809 4.487 20 10 DICDRN Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816540557 1042063793 /nfs/dbraw/zinc/06/37/93/1042063793.db2.gz OXPONJBVUFCCDF-MRXNPFEDSA-N 0 0 305.780 4.270 20 10 DICDRN CCC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccccn1 ZINC000816548214 1042064393 /nfs/dbraw/zinc/06/43/93/1042064393.db2.gz ZXDHUCGNYABKBT-AWEZNQCLSA-N 0 0 308.784 4.211 20 10 DICDRN Oc1cc(F)c(Cl)cc1CNc1ccc(OC(F)F)cc1 ZINC000816523039 1042064995 /nfs/dbraw/zinc/06/49/95/1042064995.db2.gz ZNDIMBDTCJUKSF-UHFFFAOYSA-N 0 0 317.694 4.398 20 10 DICDRN O=C1CCc2cc(NCc3ccc4ccccc4c3O)ccc2N1 ZINC000816528147 1042065895 /nfs/dbraw/zinc/06/58/95/1042065895.db2.gz OFFTUUXEKXHDGJ-UHFFFAOYSA-N 0 0 318.376 4.042 20 10 DICDRN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1cccc(F)c1F ZINC000816559117 1042067962 /nfs/dbraw/zinc/06/79/62/1042067962.db2.gz YDGQPLFXUCKDSA-QMMMGPOBSA-N 0 0 315.722 4.314 20 10 DICDRN Oc1c(CNc2ccc3c(c2)CCCO3)ccc2ccccc21 ZINC000816564041 1042068524 /nfs/dbraw/zinc/06/85/24/1042068524.db2.gz RWGAKWPSYQSWBZ-UHFFFAOYSA-N 0 0 305.377 4.483 20 10 DICDRN Oc1cc(F)c(Cl)cc1CNc1ccc2ncccc2c1 ZINC000816563535 1042069120 /nfs/dbraw/zinc/06/91/20/1042069120.db2.gz AVQNLLBKMSILOA-UHFFFAOYSA-N 0 0 302.736 4.345 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC1CCC(F)(F)CC1 ZINC000816600484 1042071343 /nfs/dbraw/zinc/07/13/43/1042071343.db2.gz ZHJYCBMYRGUHDH-UHFFFAOYSA-N 0 0 307.743 4.100 20 10 DICDRN CC(C)([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccccc1F ZINC000816616696 1042073542 /nfs/dbraw/zinc/07/35/42/1042073542.db2.gz CQTLFYOSQLBWRP-UHFFFAOYSA-N 0 0 311.759 4.349 20 10 DICDRN CN(C)c1ccc(CN(C)C(=O)/C=C/C2CCCCCC2)cc1 ZINC001135690638 1042080974 /nfs/dbraw/zinc/08/09/74/1042080974.db2.gz XJXYNHHHTCLDNF-NTCAYCPXSA-N 0 0 314.473 4.238 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2C[C@]2(C)C(C)C)cc1 ZINC001135732850 1042087162 /nfs/dbraw/zinc/08/71/62/1042087162.db2.gz ITFUBPIAWUQINU-AZUAARDMSA-N 0 0 316.489 4.173 20 10 DICDRN CN(C)c1ccc(CNC(=O)c2ccc(C3=CCCC3)cc2)cc1 ZINC001135825101 1042097104 /nfs/dbraw/zinc/09/71/04/1042097104.db2.gz FSAZQSVEFUIHHO-UHFFFAOYSA-N 0 0 320.436 4.250 20 10 DICDRN Cc1cnc(COc2ccc(N3CCCCC3)c(Cl)c2)o1 ZINC000817380963 1042104589 /nfs/dbraw/zinc/10/45/89/1042104589.db2.gz APRKEQUOFGJFGQ-UHFFFAOYSA-N 0 0 306.793 4.206 20 10 DICDRN Cc1c(F)cccc1C(=O)Nc1cccc(N2CCCCC2)c1 ZINC000817429382 1042109088 /nfs/dbraw/zinc/10/90/88/1042109088.db2.gz QNQFQPYPGJFSBI-UHFFFAOYSA-N 0 0 312.388 4.377 20 10 DICDRN CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])CCO1 ZINC000817586199 1042118344 /nfs/dbraw/zinc/11/83/44/1042118344.db2.gz LVWSEVWQPUWZQG-QJPTWQEYSA-N 0 0 317.351 4.019 20 10 DICDRN CC[C@@H]([NH2+]C[C@H]1CC12CCSCC2)c1ccc(F)cc1[O-] ZINC000817588461 1042118870 /nfs/dbraw/zinc/11/88/70/1042118870.db2.gz FVLBUHIACFGXSQ-IUODEOHRSA-N 0 0 309.450 4.105 20 10 DICDRN Cc1cc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])cc(C)n1 ZINC000817589832 1042119886 /nfs/dbraw/zinc/11/98/86/1042119886.db2.gz PYCZMMDQUYFCIH-GFCCVEGCSA-N 0 0 324.346 4.274 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)[C@H](C)C1CC1 ZINC001136025919 1042127425 /nfs/dbraw/zinc/12/74/25/1042127425.db2.gz DWENTBPKPWUFBY-MRXNPFEDSA-N 0 0 310.441 4.273 20 10 DICDRN Cc1cc(C(=O)N(C(C)C)C2CC2)c(C)n1-c1cccc(C)c1 ZINC000728865477 1042128008 /nfs/dbraw/zinc/12/80/08/1042128008.db2.gz OPRQUHWXJFLMKL-UHFFFAOYSA-N 0 0 310.441 4.416 20 10 DICDRN Nc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1 ZINC000818556277 1042154908 /nfs/dbraw/zinc/15/49/08/1042154908.db2.gz HUTFRDRSKDAQJK-UHFFFAOYSA-N 0 0 312.388 4.249 20 10 DICDRN Cc1ncsc1/C=C/C(=O)N(C)c1cc(Cl)ccc1C ZINC000818809711 1042160666 /nfs/dbraw/zinc/16/06/66/1042160666.db2.gz UFENEPJXQMNZBT-VOTSOKGWSA-N 0 0 306.818 4.090 20 10 DICDRN CCCC[C@@H](C)N(CCCC)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000818925404 1042163475 /nfs/dbraw/zinc/16/34/75/1042163475.db2.gz ZUWGJQMXQQGXQS-KUGGDMIFSA-N 0 0 319.445 4.318 20 10 DICDRN CC[C@H]1CCCC[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001136190487 1042172728 /nfs/dbraw/zinc/17/27/28/1042172728.db2.gz GRYOXLRPTODAOJ-CMPLNLGQSA-N 0 0 319.426 4.011 20 10 DICDRN CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001136190489 1042172800 /nfs/dbraw/zinc/17/28/00/1042172800.db2.gz GRYOXLRPTODAOJ-PWSUYJOCSA-N 0 0 319.426 4.011 20 10 DICDRN CC1CCC(C)(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC001136190409 1042172934 /nfs/dbraw/zinc/17/29/34/1042172934.db2.gz DNMGNYYKKWGOPX-UHFFFAOYSA-N 0 0 314.473 4.119 20 10 DICDRN CC[C@@H]1CCCC[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001136190490 1042173008 /nfs/dbraw/zinc/17/30/08/1042173008.db2.gz GRYOXLRPTODAOJ-ZYHUDNBSSA-N 0 0 319.426 4.011 20 10 DICDRN CCNC(=O)Nc1cccc(N[C@H](C)c2ccccc2O)c1C ZINC000278909015 1042187273 /nfs/dbraw/zinc/18/72/73/1042187273.db2.gz VPAKENLKDDCZFC-CYBMUJFWSA-N 0 0 313.401 4.015 20 10 DICDRN COc1cc(N(C)Cc2cccc(Cl)c2)cc(OC)c1OC ZINC000220750094 1042196884 /nfs/dbraw/zinc/19/68/84/1042196884.db2.gz QEPWLPMPGJDCEU-UHFFFAOYSA-N 0 0 321.804 4.002 20 10 DICDRN CC(C)=C(C)CC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000820871771 1042231248 /nfs/dbraw/zinc/23/12/48/1042231248.db2.gz LSGQHLBHBIVZLN-UHFFFAOYSA-N 0 0 313.397 4.260 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)[C@@H](C)C(C)(C)C ZINC001136428537 1042245744 /nfs/dbraw/zinc/24/57/44/1042245744.db2.gz CHIDDHJCEYIOFH-HZPDHXFCSA-N 0 0 318.505 4.419 20 10 DICDRN Cc1c2cccc(C)c2oc1C(=O)N(C)Cc1ccccc1O ZINC000054080705 1042246604 /nfs/dbraw/zinc/24/66/04/1042246604.db2.gz FWSMDALTCOMKND-UHFFFAOYSA-N 0 0 309.365 4.027 20 10 DICDRN CCC(CC)n1ccc(CN(CC)c2ccc(OC)cc2)n1 ZINC001167835735 1042247546 /nfs/dbraw/zinc/24/75/46/1042247546.db2.gz REPIQLPSJHVTJX-UHFFFAOYSA-N 0 0 301.434 4.279 20 10 DICDRN Nc1ccc(Br)c(Nc2ccc3c(c2)CCCN3)c1 ZINC001159926270 1042260211 /nfs/dbraw/zinc/26/02/11/1042260211.db2.gz KRVQSHWRTQMYFB-UHFFFAOYSA-N 0 0 318.218 4.133 20 10 DICDRN CN(CCCOC(C)(C)C)c1ccc(-c2nccs2)cc1 ZINC001170990569 1042290685 /nfs/dbraw/zinc/29/06/85/1042290685.db2.gz NDEQJLYBRNHBRE-UHFFFAOYSA-N 0 0 304.459 4.452 20 10 DICDRN CN(C[C@@H]1CC(C)(C)CO1)c1ccc(-c2nccs2)cc1 ZINC001170991402 1042292522 /nfs/dbraw/zinc/29/25/22/1042292522.db2.gz VHVAJXFJJNMJTG-HNNXBMFYSA-N 0 0 302.443 4.061 20 10 DICDRN Cc1cc(Br)cc(NCc2cc(F)ccc2O)c1 ZINC000230234991 1042326142 /nfs/dbraw/zinc/32/61/42/1042326142.db2.gz KFRWDKNTHLGSOV-UHFFFAOYSA-N 0 0 310.166 4.214 20 10 DICDRN Cc1ccc(Nc2ccccc2C(=O)c2ccncc2)cc1O ZINC001211706292 1042332745 /nfs/dbraw/zinc/33/27/45/1042332745.db2.gz JRGNMTPYZLMZLD-UHFFFAOYSA-N 0 0 304.349 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4.115 20 10 DICDRN CC(C)Oc1ccccc1NC(=O)N[C@@H](C)c1ccccc1O ZINC000878252874 1043864811 /nfs/dbraw/zinc/86/48/11/1043864811.db2.gz XMKAJFYSXQRLCT-ZDUSSCGKSA-N 0 0 314.385 4.062 20 10 DICDRN Oc1cccc(Cl)c1CNc1cc2c(cc1Cl)OCO2 ZINC000127265626 1043910295 /nfs/dbraw/zinc/91/02/95/1043910295.db2.gz CCZLVWIHJYWSIS-UHFFFAOYSA-N 0 0 312.152 4.040 20 10 DICDRN Cc1cccc(-c2nnc([C@H](C)N[C@H](C)c3ccccc3O)o2)c1 ZINC000879649046 1043979993 /nfs/dbraw/zinc/97/99/93/1043979993.db2.gz KDNXDDMRTJUPDB-KGLIPLIRSA-N 0 0 323.396 4.162 20 10 DICDRN O=C(Nc1cccc(C2CCC2)c1)N1Cc2cccc(O)c2C1 ZINC000931504538 1044039030 /nfs/dbraw/zinc/03/90/30/1044039030.db2.gz IMMHNNULMKUPBC-UHFFFAOYSA-N 0 0 308.381 4.207 20 10 DICDRN Cc1sccc1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000880401503 1044039655 /nfs/dbraw/zinc/03/96/55/1044039655.db2.gz UKLTZTRLZSFMMW-LLVKDONJSA-N 0 0 303.431 4.005 20 10 DICDRN COc1ccc(N(Cc2cccs2)Cc2cnoc2C)cc1 ZINC000129043113 1044118220 /nfs/dbraw/zinc/11/82/20/1044118220.db2.gz KCLCHXVLFDRAQB-UHFFFAOYSA-N 0 0 314.410 4.260 20 10 DICDRN CC1(C)C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C(C)(C)O1 ZINC000778113651 1044156453 /nfs/dbraw/zinc/15/64/53/1044156453.db2.gz JSYDBVILLYDCFY-GFCCVEGCSA-N 0 0 318.244 4.135 20 10 DICDRN Oc1ccccc1CN[C@@H](CCc1ccccc1)C(F)(F)F ZINC000778123257 1044159966 /nfs/dbraw/zinc/15/99/66/1044159966.db2.gz SBTHLGOIXRHRFD-INIZCTEOSA-N 0 0 309.331 4.046 20 10 DICDRN CCN(CC)c1ccc(CNc2cnn([C@H](C)C3CC3)c2)cc1 ZINC000778189549 1044207565 /nfs/dbraw/zinc/20/75/65/1044207565.db2.gz QQIQMTNATAVDTJ-OAHLLOKOSA-N 0 0 312.461 4.312 20 10 DICDRN CC(C)c1c[nH]c(CNc2ccccc2OCC(F)(F)F)n1 ZINC000883052784 1044219253 /nfs/dbraw/zinc/21/92/53/1044219253.db2.gz AFCIFYWCWJRBLR-UHFFFAOYSA-N 0 0 313.323 4.086 20 10 DICDRN COc1ccc(NCc2cc(F)cc(F)c2O)cc1OC(C)C ZINC000883088263 1044220978 /nfs/dbraw/zinc/22/09/78/1044220978.db2.gz YMWFGYYGXREQDE-UHFFFAOYSA-N 0 0 323.339 4.078 20 10 DICDRN CSc1ccc([C@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC000883111245 1044223548 /nfs/dbraw/zinc/22/35/48/1044223548.db2.gz XPEQCWDWBCYSMF-JTQLQIEISA-N 0 0 309.381 4.243 20 10 DICDRN [O-]c1c(F)cc(F)cc1C[NH2+]C1(c2ccccc2Cl)CC1 ZINC000883152276 1044225946 /nfs/dbraw/zinc/22/59/46/1044225946.db2.gz QDBUMYGVGVLPNF-UHFFFAOYSA-N 0 0 309.743 4.103 20 10 DICDRN CCC(=O)N(C)c1ccc(N[C@H](C)c2ccc(F)cc2O)cc1 ZINC000883314458 1044268514 /nfs/dbraw/zinc/26/85/14/1044268514.db2.gz GYNVHMCWKWNTBI-GFCCVEGCSA-N 0 0 316.376 4.077 20 10 DICDRN COc1ccc(N[C@H](C)c2cc(F)ccc2O)cc1SC ZINC000840774644 1044270395 /nfs/dbraw/zinc/27/03/95/1044270395.db2.gz KBLVWHHUWNPNDK-SNVBAGLBSA-N 0 0 307.390 4.435 20 10 DICDRN Cc1ccc2c(c1)SCCCN2C(=O)/C=C\c1ccc(C)nc1 ZINC000778272848 1044283147 /nfs/dbraw/zinc/28/31/47/1044283147.db2.gz GTMXJFNPMDBRCG-CLFYSBASSA-N 0 0 324.449 4.241 20 10 DICDRN Cc1ccc(O)c([C@H](C)Nc2cccc(NC(=O)C(C)C)c2)c1 ZINC000192802501 1044318022 /nfs/dbraw/zinc/31/80/22/1044318022.db2.gz GMRIOTYUXXZRDR-AWEZNQCLSA-N 0 0 312.413 4.468 20 10 DICDRN CCNC(=O)c1ccc(C)c(N[C@H](CC)c2ccccc2O)c1 ZINC000192826676 1044321114 /nfs/dbraw/zinc/32/11/14/1044321114.db2.gz JPKJDEIYIQZPSF-MRXNPFEDSA-N 0 0 312.413 4.014 20 10 DICDRN CCOCc1ccccc1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293809407 1044332068 /nfs/dbraw/zinc/33/20/68/1044332068.db2.gz CJQZSYMKICSIQL-UHFFFAOYSA-N 0 0 323.795 4.011 20 10 DICDRN Cc1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1C ZINC000133280962 1044370766 /nfs/dbraw/zinc/37/07/66/1044370766.db2.gz CSPOLZGCCHWAAA-UHFFFAOYSA-N 0 0 321.424 4.001 20 10 DICDRN CC(C)C[N@H+](Cc1cccc(Br)c1[O-])C(C)C ZINC000133516017 1044406360 /nfs/dbraw/zinc/40/63/60/1044406360.db2.gz QTFVRRGKRGRTSX-UHFFFAOYSA-N 0 0 300.240 4.021 20 10 DICDRN O=C(C1=CC(=O)CS1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000778516644 1044473360 /nfs/dbraw/zinc/47/33/60/1044473360.db2.gz GFXDATPDJNFKNW-GFCCVEGCSA-N 0 0 319.401 4.003 20 10 DICDRN CCN(CC)c1ccc(CNCc2cc(F)cnc2Cl)cc1 ZINC000295174955 1044496859 /nfs/dbraw/zinc/49/68/59/1044496859.db2.gz UVXFZIZBHHZSMG-UHFFFAOYSA-N 0 0 321.827 4.010 20 10 DICDRN C/C(=C/c1ccc(C)cc1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000778555871 1044524148 /nfs/dbraw/zinc/52/41/48/1044524148.db2.gz CRKYVJIDRUZYHE-VKAVYKQESA-N 0 0 322.452 4.123 20 10 DICDRN CCCC[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000134903004 1044534107 /nfs/dbraw/zinc/53/41/07/1044534107.db2.gz GKCXAGSDAAKARR-QMMMGPOBSA-N 0 0 306.631 4.259 20 10 DICDRN Cc1ccc2nc(C[N@@H+](C)Cc3ccc(N(C)C)cc3)ccc2c1 ZINC001137219074 1044577248 /nfs/dbraw/zinc/57/72/48/1044577248.db2.gz YDSOKKINUWDZDP-UHFFFAOYSA-N 0 0 319.452 4.241 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)c1cnn(CC)c1)c1cccc(Cl)c1[O-] ZINC000296090681 1044589327 /nfs/dbraw/zinc/58/93/27/1044589327.db2.gz YDOMWVBRJRQTJW-IAQYHMDHSA-N 0 0 307.825 4.064 20 10 DICDRN CC(C)(C)NC(=O)c1cccc(N[C@@H]2CCc3cccc(O)c32)c1 ZINC000296507963 1044622176 /nfs/dbraw/zinc/62/21/76/1044622176.db2.gz QJKIFTMOVIXJQJ-MRXNPFEDSA-N 0 0 324.424 4.020 20 10 DICDRN CC[C@H]([NH2+][C@H](C)c1c([O-])cccc1F)c1ccc(OC)cc1 ZINC000886491428 1044645799 /nfs/dbraw/zinc/64/57/99/1044645799.db2.gz DFHLZWBNLCOAFZ-WBMJQRKESA-N 0 0 303.377 4.342 20 10 DICDRN COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886493419 1044646623 /nfs/dbraw/zinc/64/66/23/1044646623.db2.gz KJNMGCHAJPNCIN-CHWSQXEVSA-N 0 0 303.377 4.260 20 10 DICDRN COc1ccc(Cl)cc1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886516403 1044652033 /nfs/dbraw/zinc/65/20/33/1044652033.db2.gz HBOZAEOGKILXAZ-SNVBAGLBSA-N 0 0 309.768 4.044 20 10 DICDRN C[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCCO1)c1c([O-])cccc1F ZINC000886517458 1044652232 /nfs/dbraw/zinc/65/22/32/1044652232.db2.gz DTXDWZRXKCZPRW-BOFPYLFWSA-N 0 0 315.388 4.102 20 10 DICDRN CCOc1cccc([C@H](C)[NH2+][C@@H](C)c2c([O-])cccc2F)c1 ZINC000886517658 1044653058 /nfs/dbraw/zinc/65/30/58/1044653058.db2.gz LTAHQIOOBYPMBG-STQMWFEESA-N 0 0 303.377 4.342 20 10 DICDRN CC(C)[C@@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)c1cccnc1 ZINC000886536738 1044656355 /nfs/dbraw/zinc/65/63/55/1044656355.db2.gz NWCXOSOZIDEIMC-DZGCQCFKSA-N 0 0 302.393 4.017 20 10 DICDRN Cc1ccc([C@H](C)[NH2+][C@H](C)c2c([O-])cccc2F)cc1[N+](=O)[O-] ZINC000886549726 1044657838 /nfs/dbraw/zinc/65/78/38/1044657838.db2.gz MRFYKMVOSPZDNL-NWDGAFQWSA-N 0 0 318.348 4.160 20 10 DICDRN C[C@H](Nc1ccc(N2CCCC2)cc1)c1c(O)cccc1F ZINC000886564409 1044660206 /nfs/dbraw/zinc/66/02/06/1044660206.db2.gz VZQIFRXBDBHPSU-ZDUSSCGKSA-N 0 0 300.377 4.305 20 10 DICDRN CCC(=O)Nc1ccc(C)c(N[C@H](C)c2c(O)cccc2F)c1 ZINC000886564214 1044660345 /nfs/dbraw/zinc/66/03/45/1044660345.db2.gz QDRMCHHYLVUBIH-GFCCVEGCSA-N 0 0 316.376 4.361 20 10 DICDRN CCCNc1ccc(C[NH2+][C@H](C)c2c([O-])cccc2F)cc1 ZINC000886600789 1044665961 /nfs/dbraw/zinc/66/59/61/1044665961.db2.gz BBLFWVILEOJCOB-CYBMUJFWSA-N 0 0 302.393 4.204 20 10 DICDRN C[C@H]([NH2+][C@H]1CCO[C@H](c2ccccc2)C1)c1c([O-])cccc1F ZINC000886592658 1044667122 /nfs/dbraw/zinc/66/71/22/1044667122.db2.gz ZLGROGKTSJJCMZ-YEWWUXTCSA-N 0 0 315.388 4.102 20 10 DICDRN CO[C@@H]1CCOc2c(N[C@@H](C)c3c(O)cccc3F)cccc21 ZINC000886602886 1044668063 /nfs/dbraw/zinc/66/80/63/1044668063.db2.gz BTUHXMCLZMQJHN-MEDUHNTESA-N 0 0 317.360 4.174 20 10 DICDRN C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)s1)c1c([O-])cccc1F ZINC000886649548 1044675028 /nfs/dbraw/zinc/67/50/28/1044675028.db2.gz DAZBRVPLSCHKEX-MRVPVSSYSA-N 0 0 319.323 4.462 20 10 DICDRN CC[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1cccc(Cl)c1[O-] ZINC000886684535 1044678996 /nfs/dbraw/zinc/67/89/96/1044678996.db2.gz NFXKCZHUKIPJND-CQSZACIVSA-N 0 0 306.793 4.152 20 10 DICDRN CCC[C@@H](NC(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000043712515 1044700350 /nfs/dbraw/zinc/70/03/50/1044700350.db2.gz NPHKBHBURIAPEA-QGZVFWFLSA-N 0 0 312.413 4.075 20 10 DICDRN Cc1ccc(O)c([C@H](C)Nc2cccc([C@H]3CCCC(=O)N3)c2)c1 ZINC000886806674 1044704767 /nfs/dbraw/zinc/70/47/67/1044704767.db2.gz XLMUAAHAUKHSHO-KBXCAEBGSA-N 0 0 324.424 4.215 20 10 DICDRN Cc1ccoc1CN(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001274001545 1044785786 /nfs/dbraw/zinc/78/57/86/1044785786.db2.gz SCDGYFVKQIZMES-UHFFFAOYSA-N 0 0 322.408 4.268 20 10 DICDRN Cc1cc(CN(Cc2ccco2)Cc2ccccc2O)c(C)o1 ZINC000156412690 1044797901 /nfs/dbraw/zinc/79/79/01/1044797901.db2.gz WHHJIXKAQOSFDL-UHFFFAOYSA-N 0 0 311.381 4.397 20 10 DICDRN CCc1nc(CN[C@@H](C)c2ccc(N(C)CC)cc2)cs1 ZINC000156414627 1044798022 /nfs/dbraw/zinc/79/80/22/1044798022.db2.gz AWXKDAQYPYNXQP-ZDUSSCGKSA-N 0 0 303.475 4.012 20 10 DICDRN CC[C@@H](Nc1ccccc1OCCCOC)c1ccccc1O ZINC000157688620 1044937441 /nfs/dbraw/zinc/93/74/41/1044937441.db2.gz OUCJZUZEGXKMTB-MRXNPFEDSA-N 0 0 315.413 4.371 20 10 DICDRN Oc1ccc(Cl)cc1C[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000373315615 1044963953 /nfs/dbraw/zinc/96/39/53/1044963953.db2.gz BQGAMTKFGKPGFJ-UHFFFAOYSA-N 0 0 324.811 4.397 20 10 DICDRN Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000134917017 1044972192 /nfs/dbraw/zinc/97/21/92/1044972192.db2.gz ANHONNRYBBGPRO-NEPJUHHUSA-N 0 0 319.424 4.203 20 10 DICDRN Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000134916956 1044973000 /nfs/dbraw/zinc/97/30/00/1044973000.db2.gz ANHONNRYBBGPRO-NWDGAFQWSA-N 0 0 319.424 4.203 20 10 DICDRN CC(C)(C)c1ccccc1NC(=O)CSc1nccs1 ZINC000047240688 1045032385 /nfs/dbraw/zinc/03/23/85/1045032385.db2.gz CYDPEWUYPVNYMQ-UHFFFAOYSA-N 0 0 306.456 4.171 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1C=CCCC1 ZINC000777499613 1045156314 /nfs/dbraw/zinc/15/63/14/1045156314.db2.gz UVBBVCKBASDEEH-QGZVFWFLSA-N 0 0 314.473 4.236 20 10 DICDRN CCN(CC)c1ccc(CNc2nnc(CC(C)(C)C)o2)cc1 ZINC000777515785 1045165063 /nfs/dbraw/zinc/16/50/63/1045165063.db2.gz MWXXBMLXTWGYFW-UHFFFAOYSA-N 0 0 316.449 4.117 20 10 DICDRN Oc1cccc(Cl)c1CNc1nnc(C2CCCCC2)o1 ZINC000777513933 1045166080 /nfs/dbraw/zinc/16/60/80/1045166080.db2.gz MIQWESMMBGITPT-UHFFFAOYSA-N 0 0 307.781 4.088 20 10 DICDRN CCOc1ccc(CNc2nc3cc(C)cc(C)c3o2)c(O)c1 ZINC000777521012 1045166949 /nfs/dbraw/zinc/16/69/49/1045166949.db2.gz ZIRGJLZLZZNGSZ-UHFFFAOYSA-N 0 0 312.369 4.161 20 10 DICDRN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)c2ccc[nH]2)c1O ZINC000779041719 1045195753 /nfs/dbraw/zinc/19/57/53/1045195753.db2.gz UKYULBRRECTRCR-QWRGUYRKSA-N 0 0 323.234 4.203 20 10 DICDRN C[C@@H]([NH2+]Cc1ccc(Cl)cc1F)c1cc(F)cc(F)c1[O-] ZINC000779054056 1045216780 /nfs/dbraw/zinc/21/67/80/1045216780.db2.gz QGOMFQOSSORRLN-MRVPVSSYSA-N 0 0 315.722 4.314 20 10 DICDRN C[C@@H](C1CC1)n1cc(N[C@H]2C[C@@H](C)c3c2c(O)ccc3F)cn1 ZINC000779057184 1045225048 /nfs/dbraw/zinc/22/50/48/1045225048.db2.gz NGRIFYJVCSPBOG-ZETOZRRWSA-N 0 0 315.392 4.359 20 10 DICDRN CN(Cc1ccccc1O)C(=O)c1ccc(C(C)(C)C)s1 ZINC000159639972 1045235390 /nfs/dbraw/zinc/23/53/90/1045235390.db2.gz FAGPZOWNEOBCFS-UHFFFAOYSA-N 0 0 303.427 4.023 20 10 DICDRN CCSc1cc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])ccn1 ZINC000779076101 1045251189 /nfs/dbraw/zinc/25/11/89/1045251189.db2.gz BGDALHRUPWXPJK-SNVBAGLBSA-N 0 0 324.396 4.028 20 10 DICDRN Cc1ccc(NC(=O)[C@H](C)Sc2nccs2)c(Cl)c1 ZINC000048875729 1045284953 /nfs/dbraw/zinc/28/49/53/1045284953.db2.gz ZCFAFSASUFJQNN-VIFPVBQESA-N 0 0 312.847 4.224 20 10 DICDRN Cc1ccc(NC(=O)[C@@H](C)Sc2nccs2)c(Cl)c1 ZINC000048875724 1045284976 /nfs/dbraw/zinc/28/49/76/1045284976.db2.gz ZCFAFSASUFJQNN-SECBINFHSA-N 0 0 312.847 4.224 20 10 DICDRN Cc1cc(Cl)ccc1NC(=O)[C@H](C)Sc1nccs1 ZINC000048875720 1045285254 /nfs/dbraw/zinc/28/52/54/1045285254.db2.gz QYOKHBJBQACLHF-VIFPVBQESA-N 0 0 312.847 4.224 20 10 DICDRN Nc1ccc(CC(=O)N[C@H]2CCC[C@H](c3ccccc3)CC2)cc1 ZINC001122290966 1045563216 /nfs/dbraw/zinc/56/32/16/1045563216.db2.gz MREOZTKMYGKBRT-ICSRJNTNSA-N 0 0 322.452 4.044 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC000750859903 1045563501 /nfs/dbraw/zinc/56/35/01/1045563501.db2.gz SWNDIYANLUYIIS-SJLPKXTDSA-N 0 0 315.457 4.369 20 10 DICDRN Nc1ccc(CC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1 ZINC000038876263 1045585172 /nfs/dbraw/zinc/58/51/72/1045585172.db2.gz BXIQHVVAHDCWFM-UHFFFAOYSA-N 0 0 317.392 4.194 20 10 DICDRN CCSCCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000800492527 1045630909 /nfs/dbraw/zinc/63/09/09/1045630909.db2.gz KGMQHSDPSURQLP-SECBINFHSA-N 0 0 308.274 4.493 20 10 DICDRN C[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)c1cc(F)cc(F)c1[O-] ZINC000800494697 1045633960 /nfs/dbraw/zinc/63/39/60/1045633960.db2.gz YWLVTFNSTBHMGZ-UWVGGRQHSA-N 0 0 305.315 4.147 20 10 DICDRN C[C@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1cc(F)cc(F)c1[O-] ZINC000800496227 1045633998 /nfs/dbraw/zinc/63/39/98/1045633998.db2.gz UILWMRYDZLYBRE-LKFCYVNXSA-N 0 0 323.770 4.142 20 10 DICDRN C[C@@H](NC1(C(F)F)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000800502324 1045637878 /nfs/dbraw/zinc/63/78/78/1045637878.db2.gz SFNKTSOYYLUGRL-GFCCVEGCSA-N 0 0 312.379 4.264 20 10 DICDRN CC(C)N(C(=O)c1cc2cc(O)c(O)cc2s1)C1CCCC1 ZINC000900564725 1045646169 /nfs/dbraw/zinc/64/61/69/1045646169.db2.gz ASTOKMGZQOQWCC-UHFFFAOYSA-N 0 0 319.426 4.106 20 10 DICDRN COc1ccc(N(C)Cc2nc(C(C)(C)C)cs2)c(OC)c1 ZINC000752125220 1045660140 /nfs/dbraw/zinc/66/01/40/1045660140.db2.gz CZVOESFKPFQSJR-UHFFFAOYSA-N 0 0 320.458 4.094 20 10 DICDRN COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000800993324 1045680221 /nfs/dbraw/zinc/68/02/21/1045680221.db2.gz NJRYDEVECAWBIK-HWPZZCPQSA-N 0 0 319.351 4.017 20 10 DICDRN CCN(C(=O)/C=C\c1cccnc1)c1ccc(C(F)(F)F)cc1 ZINC000801076282 1045688392 /nfs/dbraw/zinc/68/83/92/1045688392.db2.gz ZNTLIFHPDJUJEP-YHYXMXQVSA-N 0 0 320.314 4.167 20 10 DICDRN COc1ccc(O)c([C@H](C)NC(=O)CC2CCC(C)(C)CC2)c1 ZINC000752621325 1045693567 /nfs/dbraw/zinc/69/35/67/1045693567.db2.gz AHQUAKFGCCNYAB-ZDUSSCGKSA-N 0 0 319.445 4.185 20 10 DICDRN CCC1(CC)CN(C(=O)C2=CC(=O)CS2)c2ccccc21 ZINC000752642834 1045695347 /nfs/dbraw/zinc/69/53/47/1045695347.db2.gz CZEBPPFQZNFNFK-UHFFFAOYSA-N 0 0 301.411 4.172 20 10 DICDRN CCCCC[C@@H](C(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC001124553513 1045720162 /nfs/dbraw/zinc/72/01/62/1045720162.db2.gz PSOXLZDJDCREDY-GOSISDBHSA-N 0 0 304.478 4.221 20 10 DICDRN COc1cccc(O)c1CNc1cc(C)cc(C(F)(F)F)c1 ZINC000752988911 1045720195 /nfs/dbraw/zinc/72/01/95/1045720195.db2.gz YJKCRMCHZDYKGT-UHFFFAOYSA-N 0 0 311.303 4.340 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cnccc2C)cc1 ZINC000078505697 1045727112 /nfs/dbraw/zinc/72/71/12/1045727112.db2.gz NZMNIPGKQBVCBY-UHFFFAOYSA-N 0 0 305.381 4.050 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](C)C1CCCC1 ZINC000801550397 1045737421 /nfs/dbraw/zinc/73/74/21/1045737421.db2.gz YSLVYLRVRXQBST-OAHLLOKOSA-N 0 0 303.446 4.347 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCC(C)(C)C1 ZINC000801551334 1045737455 /nfs/dbraw/zinc/73/74/55/1045737455.db2.gz LMMCKXFUABIEGY-HNNXBMFYSA-N 0 0 303.446 4.347 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](C)c1ccccc1 ZINC000801548816 1045738273 /nfs/dbraw/zinc/73/82/73/1045738273.db2.gz ROPCCZNCXJLPJU-MRXNPFEDSA-N 0 0 311.425 4.325 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1cccc2cc[nH]c21 ZINC000801549690 1045738315 /nfs/dbraw/zinc/73/83/15/1045738315.db2.gz WUTYBHGSDQVZGM-UHFFFAOYSA-N 0 0 322.408 4.316 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)C[C@H]1CCC[C@@H]1C ZINC000801549960 1045738451 /nfs/dbraw/zinc/73/84/51/1045738451.db2.gz JAPCHIHOCWQWAB-JKSUJKDBSA-N 0 0 303.446 4.347 20 10 DICDRN CC(C)CCN(CCC(C)C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779474546 1045753072 /nfs/dbraw/zinc/75/30/72/1045753072.db2.gz AHEZPXBBLYVVPP-SOFGYWHQSA-N 0 0 319.445 4.032 20 10 DICDRN Cc1cccc(CNc2cc(F)c(OC(C)C)c(F)c2)c1O ZINC000753571598 1045765693 /nfs/dbraw/zinc/76/56/93/1045765693.db2.gz XPYJGNXCQAANHQ-UHFFFAOYSA-N 0 0 307.340 4.378 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)/C=C1/CC[C@@H](C)C1 ZINC000753580282 1045766406 /nfs/dbraw/zinc/76/64/06/1045766406.db2.gz CMKDXQFICYGFSS-OKSBFYSISA-N 0 0 314.473 4.236 20 10 DICDRN O=C(CSc1nccs1)c1cccc(Cl)c1Cl ZINC000801657025 1045767090 /nfs/dbraw/zinc/76/70/90/1045767090.db2.gz FNZZHLCMACCBBK-UHFFFAOYSA-N 0 0 304.223 4.425 20 10 DICDRN CCCCN(C(=O)/C=C/c1ccc(O)c(O)c1)C1CCCCC1 ZINC000779504793 1045772351 /nfs/dbraw/zinc/77/23/51/1045772351.db2.gz DIKVDVMDXMTYBV-ZRDIBKRKSA-N 0 0 317.429 4.072 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCC[C@H](C)C2)cc1 ZINC001124944292 1045812031 /nfs/dbraw/zinc/81/20/31/1045812031.db2.gz UVWMRUKXZQVFIK-KSSFIOAISA-N 0 0 310.441 4.403 20 10 DICDRN CCN(C(=O)/C=C/c1ccc(C)nc1)c1ccccc1Cl ZINC000754088687 1045845252 /nfs/dbraw/zinc/84/52/52/1045845252.db2.gz STNNXVUYGPKGOI-ZHACJKMWSA-N 0 0 300.789 4.110 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000801993303 1045873134 /nfs/dbraw/zinc/87/31/34/1045873134.db2.gz HAARLCLGTGAUOT-NVXWUHKLSA-N 0 0 318.461 4.283 20 10 DICDRN Cc1cncc(/C=C/C(=O)N2C[C@@H](C)CSc3ccccc32)c1 ZINC000754372918 1045881787 /nfs/dbraw/zinc/88/17/87/1045881787.db2.gz QIFBVHXUWBMHAY-MVGZEHJDSA-N 0 0 324.449 4.178 20 10 DICDRN Cc1ccc(/C=C\C(=O)N2C[C@H](C)CSc3ccccc32)cn1 ZINC000754386086 1045883103 /nfs/dbraw/zinc/88/31/03/1045883103.db2.gz UEIRVWYYMSXGET-CMUBDUJZSA-N 0 0 324.449 4.178 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[C@H](C)CC1 ZINC000802132097 1045905042 /nfs/dbraw/zinc/90/50/42/1045905042.db2.gz WANNDZHFXGBABS-JCNLHEQBSA-N 0 0 318.461 4.283 20 10 DICDRN O=C1/C(=C\c2ccsc2)SC(=S)N1Cc1cccs1 ZINC000192691992 1045922727 /nfs/dbraw/zinc/92/27/27/1045922727.db2.gz ISBHHJIWVMQBPJ-IZZDOVSWSA-N 0 0 323.489 4.211 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[C@@H]1CC ZINC000802237178 1045927346 /nfs/dbraw/zinc/92/73/46/1045927346.db2.gz ZQILUWVVPZJEQB-DOTOQJQBSA-N 0 0 318.461 4.283 20 10 DICDRN Cc1ccc([C@@H](C)Nc2cccc(NC(=O)C(C)C)c2)c(O)c1 ZINC000192800685 1045935541 /nfs/dbraw/zinc/93/55/41/1045935541.db2.gz QTRQOPOIIALJEW-CQSZACIVSA-N 0 0 312.413 4.468 20 10 DICDRN C[C@@H](Nc1ccc2c(c1)OCO2)c1ccc2ccccc2c1O ZINC000192883484 1045948221 /nfs/dbraw/zinc/94/82/21/1045948221.db2.gz DOUOYWPKKQGDKE-GFCCVEGCSA-N 0 0 307.349 4.447 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CC[C@H](C)C1 ZINC000802309893 1045952519 /nfs/dbraw/zinc/95/25/19/1045952519.db2.gz HXHGQCNCWDVAEM-JKSUJKDBSA-N 0 0 318.461 4.140 20 10 DICDRN COc1ccc(O)c([C@H](C)Nc2ccc(OC(C)C)cc2)c1 ZINC000193105631 1045966756 /nfs/dbraw/zinc/96/67/56/1045966756.db2.gz KIPSRUSBYLBTJR-ZDUSSCGKSA-N 0 0 301.386 4.361 20 10 DICDRN COc1ccc(O)c([C@@H](C)Nc2ccc(OC(C)C)cc2)c1 ZINC000193105648 1045967288 /nfs/dbraw/zinc/96/72/88/1045967288.db2.gz KIPSRUSBYLBTJR-CYBMUJFWSA-N 0 0 301.386 4.361 20 10 DICDRN Oc1cccc(F)c1CN1CCC[C@@H]1c1ccc(F)cc1F ZINC001137840071 1045981483 /nfs/dbraw/zinc/98/14/83/1045981483.db2.gz QXPOWIDGHRKSCY-MRXNPFEDSA-N 0 0 307.315 4.147 20 10 DICDRN Cc1cc(C(=O)Nc2cccc(N3CCC(C)CC3)c2)ccc1N ZINC000830189230 1046046272 /nfs/dbraw/zinc/04/62/72/1046046272.db2.gz CFTRHDDHZDRBIX-UHFFFAOYSA-N 0 0 323.440 4.066 20 10 DICDRN CCc1c(NCc2cccc(Cl)c2O)cnn1CCC(C)C ZINC000756127861 1046054300 /nfs/dbraw/zinc/05/43/00/1046054300.db2.gz IQQKUZZOFZHION-UHFFFAOYSA-N 0 0 321.852 4.463 20 10 DICDRN CC[C@@H](C)[C@@H](C)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000779753829 1046057864 /nfs/dbraw/zinc/05/78/64/1046057864.db2.gz FVNVWPUVSFRFPB-HZPDHXFCSA-N 0 0 304.478 4.173 20 10 DICDRN C[C@@H]([NH2+]CCc1ccc(Cl)cc1)c1cc(F)cc(F)c1[O-] ZINC000756344331 1046067743 /nfs/dbraw/zinc/06/77/43/1046067743.db2.gz QBJONXGLFZKZPH-SNVBAGLBSA-N 0 0 311.759 4.217 20 10 DICDRN C[C@H](CCc1ccccc1)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756343342 1046067921 /nfs/dbraw/zinc/06/79/21/1046067921.db2.gz XZSMXHQMJNDOEI-CHWSQXEVSA-N 0 0 305.368 4.342 20 10 DICDRN C[C@H]([NH2+]C1CCCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756343733 1046068250 /nfs/dbraw/zinc/06/82/50/1046068250.db2.gz NXSXIBSUZJLXPG-QMMMGPOBSA-N 0 0 318.642 4.401 20 10 DICDRN COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756359983 1046069072 /nfs/dbraw/zinc/06/90/72/1046069072.db2.gz FDLFGYRGFSIFJM-NWDGAFQWSA-N 0 0 321.367 4.399 20 10 DICDRN CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756366571 1046071023 /nfs/dbraw/zinc/07/10/23/1046071023.db2.gz UYXAVRZBTFHXQK-RYUDHWBXSA-N 0 0 321.367 4.481 20 10 DICDRN C[C@@H]([NH2+]CCCSc1ccccc1)c1ccc(F)cc1[O-] ZINC000756371619 1046071744 /nfs/dbraw/zinc/07/17/44/1046071744.db2.gz MBPYRYCGPFUWQZ-CYBMUJFWSA-N 0 0 305.418 4.364 20 10 DICDRN C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)c1cc(F)cc(F)c1[O-] ZINC000756366063 1046072018 /nfs/dbraw/zinc/07/20/18/1046072018.db2.gz DORDPADTUCWHHR-PIGZYNQJSA-N 0 0 303.352 4.472 20 10 DICDRN CCOc1ccc([C@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756366569 1046073006 /nfs/dbraw/zinc/07/30/06/1046073006.db2.gz UYXAVRZBTFHXQK-NWDGAFQWSA-N 0 0 321.367 4.481 20 10 DICDRN CCOCc1ccccc1C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756379538 1046073518 /nfs/dbraw/zinc/07/35/18/1046073518.db2.gz OTDBJBZOFIZESK-GFCCVEGCSA-N 0 0 321.367 4.058 20 10 DICDRN C[C@@H]([NH2+]CC(C)(C)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756401038 1046076180 /nfs/dbraw/zinc/07/61/80/1046076180.db2.gz NQICEQIQWRGKDU-GFCCVEGCSA-N 0 0 305.368 4.299 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])c1ccccc1OC ZINC000756402492 1046076508 /nfs/dbraw/zinc/07/65/08/1046076508.db2.gz SIAFHWRMQJYQSK-BDJLRTHQSA-N 0 0 321.367 4.481 20 10 DICDRN CCCOc1ccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756416022 1046080190 /nfs/dbraw/zinc/08/01/90/1046080190.db2.gz GAFCIOLYUVJSNX-GFCCVEGCSA-N 0 0 321.367 4.310 20 10 DICDRN Cc1cccc(OC[C@@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756445810 1046082063 /nfs/dbraw/zinc/08/20/63/1046082063.db2.gz PRIPZZDUAALULJ-OLZOCXBDSA-N 0 0 321.367 4.097 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756635978 1046114732 /nfs/dbraw/zinc/11/47/32/1046114732.db2.gz CTRRHMKOBBGOPR-RKDXNWHRSA-N 0 0 306.258 4.245 20 10 DICDRN CC(C)COc1ccccc1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756461934 1046084567 /nfs/dbraw/zinc/08/45/67/1046084567.db2.gz VXBYDRNSUYWHJJ-AWEZNQCLSA-N 0 0 317.404 4.417 20 10 DICDRN C[C@@H]([NH2+]CC1CCCC1)c1cc(Br)cc(F)c1[O-] ZINC000756456707 1046084759 /nfs/dbraw/zinc/08/47/59/1046084759.db2.gz DZUPHJLIPAAILK-SECBINFHSA-N 0 0 316.214 4.135 20 10 DICDRN CC(C)OCc1ccccc1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756462862 1046085032 /nfs/dbraw/zinc/08/50/32/1046085032.db2.gz BAAYJBIRMUBLEZ-AWEZNQCLSA-N 0 0 317.404 4.307 20 10 DICDRN C[C@H]([NH2+]CCc1ccc(Cl)s1)c1cc(F)cc(F)c1[O-] ZINC000756474976 1046086603 /nfs/dbraw/zinc/08/66/03/1046086603.db2.gz FQCSQRQFRNOIPA-QMMMGPOBSA-N 0 0 317.788 4.279 20 10 DICDRN C[C@H]([NH2+]CC1CCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756475975 1046086689 /nfs/dbraw/zinc/08/66/89/1046086689.db2.gz QULWAPJSDLBKLG-QMMMGPOBSA-N 0 0 318.642 4.259 20 10 DICDRN C[C@H]([NH2+][C@H]1CCCOc2ccc(F)cc21)c1ccc(F)cc1[O-] ZINC000756481938 1046086708 /nfs/dbraw/zinc/08/67/08/1046086708.db2.gz GUUJAHLMWHRXIG-ZBEGNZNMSA-N 0 0 319.351 4.235 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CSCc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000756487181 1046088852 /nfs/dbraw/zinc/08/88/52/1046088852.db2.gz IJDVMYGMYSKRJR-QLJPJBMISA-N 0 0 321.392 4.309 20 10 DICDRN Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756487096 1046088898 /nfs/dbraw/zinc/08/88/98/1046088898.db2.gz IEZMYVHNTKNXCI-DIFFPNOSSA-N 0 0 303.352 4.317 20 10 DICDRN Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756487098 1046089425 /nfs/dbraw/zinc/08/94/25/1046089425.db2.gz IEZMYVHNTKNXCI-GTNSWQLSSA-N 0 0 303.352 4.317 20 10 DICDRN Cc1ccc(OC[C@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756505691 1046090832 /nfs/dbraw/zinc/09/08/32/1046090832.db2.gz WRBRXHJOUOBXQO-STQMWFEESA-N 0 0 321.367 4.097 20 10 DICDRN Cc1ccc(OC[C@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756505690 1046091076 /nfs/dbraw/zinc/09/10/76/1046091076.db2.gz WRBRXHJOUOBXQO-QWHCGFSZSA-N 0 0 321.367 4.097 20 10 DICDRN Cc1ccc(OC[C@@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756505689 1046091399 /nfs/dbraw/zinc/09/13/99/1046091399.db2.gz WRBRXHJOUOBXQO-OLZOCXBDSA-N 0 0 321.367 4.097 20 10 DICDRN Cc1cc(C)c(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])c(C)c1 ZINC000756494577 1046091607 /nfs/dbraw/zinc/09/16/07/1046091607.db2.gz GEDYMPDIPNJFLW-ZDUSSCGKSA-N 0 0 305.368 4.446 20 10 DICDRN CCCCOCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756502153 1046091678 /nfs/dbraw/zinc/09/16/78/1046091678.db2.gz FJHVCOCKGWXFKA-JTQLQIEISA-N 0 0 306.233 4.166 20 10 DICDRN COc1ccccc1C(C)(C)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756494790 1046092736 /nfs/dbraw/zinc/09/27/36/1046092736.db2.gz HCUFXUCLTWMLFI-CYBMUJFWSA-N 0 0 317.404 4.168 20 10 DICDRN Cc1ccc(OC[C@@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756505688 1046092881 /nfs/dbraw/zinc/09/28/81/1046092881.db2.gz WRBRXHJOUOBXQO-CHWSQXEVSA-N 0 0 321.367 4.097 20 10 DICDRN C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756532674 1046096430 /nfs/dbraw/zinc/09/64/30/1046096430.db2.gz GKMJCOUGCCDZGW-RYUDHWBXSA-N 0 0 321.367 4.048 20 10 DICDRN C[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1cccc(F)c1[O-] ZINC001138123900 1046101746 /nfs/dbraw/zinc/10/17/46/1046101746.db2.gz QPUPYZLJYHNFBJ-UHFFFAOYSA-N 0 0 314.187 4.470 20 10 DICDRN C[C@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756589457 1046104723 /nfs/dbraw/zinc/10/47/23/1046104723.db2.gz LSACDHNHTHNXRH-VHSXEESVSA-N 0 0 320.260 4.147 20 10 DICDRN Cc1cccc2c(CC[NH2+][C@@H](C)c3ccc(F)cc3[O-])c[nH]c21 ZINC000756595927 1046106688 /nfs/dbraw/zinc/10/66/88/1046106688.db2.gz AHBLJFXUGDNTQL-ZDUSSCGKSA-N 0 0 312.388 4.214 20 10 DICDRN Cc1cccc(O[C@H](C)C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756608120 1046108147 /nfs/dbraw/zinc/10/81/47/1046108147.db2.gz IPYQMHBZUDVIJS-OLZOCXBDSA-N 0 0 321.367 4.097 20 10 DICDRN CCc1cc(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])on1 ZINC000756605990 1046108344 /nfs/dbraw/zinc/10/83/44/1046108344.db2.gz KFSDYMDLTVUZAC-QMMMGPOBSA-N 0 0 315.200 4.100 20 10 DICDRN Cc1ccc(CC[C@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])o1 ZINC000756609260 1046108838 /nfs/dbraw/zinc/10/88/38/1046108838.db2.gz MPXUZASWXKPQMN-CMPLNLGQSA-N 0 0 309.356 4.244 20 10 DICDRN Cc1ccc(O[C@H](C)C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756611398 1046110506 /nfs/dbraw/zinc/11/05/06/1046110506.db2.gz VQFUOOFGCSBIFW-OLZOCXBDSA-N 0 0 321.367 4.097 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@H](C)c1ccccc1 ZINC000756638925 1046113608 /nfs/dbraw/zinc/11/36/08/1046113608.db2.gz XFDBAORLDFAAIS-MJBXVCDLSA-N 0 0 314.385 4.143 20 10 DICDRN C[C@H]([NH2+]C[C@@H]1SCCc2ccccc21)c1ccc(F)cc1[O-] ZINC000756636263 1046113827 /nfs/dbraw/zinc/11/38/27/1046113827.db2.gz WJZTZDWHYNZETA-SGTLLEGYSA-N 0 0 317.429 4.213 20 10 DICDRN CCO[C@H](CC[NH2+][C@H](C)c1ccc(F)cc1[O-])C1CCCC1 ZINC000756638058 1046114242 /nfs/dbraw/zinc/11/42/42/1046114242.db2.gz RFIHCJFKSJKZFI-FZKQIMNGSA-N 0 0 309.425 4.167 20 10 DICDRN COc1cc(SC)ccc1NCc1cccc(Cl)c1O ZINC000195197552 1046114557 /nfs/dbraw/zinc/11/45/57/1046114557.db2.gz LKNMKRBAXKNLDG-UHFFFAOYSA-N 0 0 309.818 4.388 20 10 DICDRN CCS[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000756635954 1046114808 /nfs/dbraw/zinc/11/48/08/1046114808.db2.gz CPRCFHAOYLVLMK-YRGRVCCFSA-N 0 0 324.446 4.015 20 10 DICDRN CCO[C@H](CC[NH2+][C@@H](C)c1ccc(F)cc1[O-])C1CCCC1 ZINC000756638059 1046114903 /nfs/dbraw/zinc/11/49/03/1046114903.db2.gz RFIHCJFKSJKZFI-SCLBCKFNSA-N 0 0 309.425 4.167 20 10 DICDRN C[C@H](C[C@H]1CCOC1)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756646115 1046115953 /nfs/dbraw/zinc/11/59/53/1046115953.db2.gz KQHPFUZRABOTRG-OUAUKWLOSA-N 0 0 318.244 4.165 20 10 DICDRN COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756645469 1046116590 /nfs/dbraw/zinc/11/65/90/1046116590.db2.gz GGTFZLSUNATIDR-HWPZZCPQSA-N 0 0 319.351 4.017 20 10 DICDRN C[C@@H]([NH2+]Cc1ccc(F)cn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756657684 1046118492 /nfs/dbraw/zinc/11/84/92/1046118492.db2.gz FJCYHSVCBGCOIJ-MRVPVSSYSA-N 0 0 315.175 4.084 20 10 DICDRN FC1(F)CCCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138215705 1046120227 /nfs/dbraw/zinc/12/02/27/1046120227.db2.gz QDEXFHKXYHSCMP-UHFFFAOYSA-N 0 0 308.416 4.298 20 10 DICDRN CCC1(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])CC1 ZINC000756737743 1046122105 /nfs/dbraw/zinc/12/21/05/1046122105.db2.gz AOVQBNLJCDQXMX-VIFPVBQESA-N 0 0 316.214 4.135 20 10 DICDRN C[C@H]([NH2+]Cc1coc2ccccc12)c1cc(F)cc(F)c1[O-] ZINC000756708573 1046122360 /nfs/dbraw/zinc/12/23/60/1046122360.db2.gz DWTRLVKTPWIJEY-JTQLQIEISA-N 0 0 303.308 4.267 20 10 DICDRN C[C@@H]([NH2+]C1CC(c2ccccc2)C1)c1cc(F)cc(F)c1[O-] ZINC000756687234 1046122375 /nfs/dbraw/zinc/12/23/75/1046122375.db2.gz YAEPZBBZHOVLJN-NUYPLMSZSA-N 0 0 303.352 4.267 20 10 DICDRN C[C@H]([NH2+]CCC1CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756731065 1046123854 /nfs/dbraw/zinc/12/38/54/1046123854.db2.gz CXJWIUXEPSVUGZ-QMMMGPOBSA-N 0 0 318.642 4.259 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)N2CCCCCCC2)cc1 ZINC000195565035 1046123874 /nfs/dbraw/zinc/12/38/74/1046123874.db2.gz MNVDUXKALWCIBZ-UHFFFAOYSA-N 0 0 317.477 4.009 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000756748057 1046125343 /nfs/dbraw/zinc/12/53/43/1046125343.db2.gz VDSKZQHHDSBBJY-NSAWSLCGSA-N 0 0 315.388 4.135 20 10 DICDRN CCC(CC)[C@H](CC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])OC ZINC000756757989 1046128400 /nfs/dbraw/zinc/12/84/00/1046128400.db2.gz DIWPNIMNRVIDAC-BZNIZROVSA-N 0 0 315.404 4.162 20 10 DICDRN COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000756783766 1046133309 /nfs/dbraw/zinc/13/33/09/1046133309.db2.gz IUKZXEXAQSTVCL-KGLIPLIRSA-N 0 0 317.404 4.069 20 10 DICDRN CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756788202 1046135015 /nfs/dbraw/zinc/13/50/15/1046135015.db2.gz BTVURISFNFYPNQ-IUUKEHGRSA-N 0 0 321.367 4.097 20 10 DICDRN CC(=O)Nc1cc(N[C@@H](C)c2cc(F)cc(F)c2O)ccc1C ZINC000756802918 1046136873 /nfs/dbraw/zinc/13/68/73/1046136873.db2.gz LXRIMCMBSDWKGV-JTQLQIEISA-N 0 0 320.339 4.110 20 10 DICDRN C[C@H](Nc1cccc(F)c1)c1cc(Br)ccc1O ZINC000756794798 1046137174 /nfs/dbraw/zinc/13/71/74/1046137174.db2.gz CSMLGWAQCVVPRE-VIFPVBQESA-N 0 0 310.166 4.467 20 10 DICDRN CC1(C)CCC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC001138290256 1046137276 /nfs/dbraw/zinc/13/72/76/1046137276.db2.gz XJVLOJMFKYIOAA-LLVKDONJSA-N 0 0 319.426 4.011 20 10 DICDRN COc1ccc(N[C@H]2C[C@H](C)c3c2c(O)ccc3F)cc1F ZINC000756801313 1046137788 /nfs/dbraw/zinc/13/77/88/1046137788.db2.gz LLCVZJPELBLEAT-ZANVPECISA-N 0 0 305.324 4.339 20 10 DICDRN CC(=O)Nc1c(C)ccc(N[C@@H](C)c2cc(F)ccc2O)c1C ZINC000756815788 1046138734 /nfs/dbraw/zinc/13/87/34/1046138734.db2.gz VCXRHZLTSPIGRK-LBPRGKRZSA-N 0 0 316.376 4.280 20 10 DICDRN COCCOc1cccc(N[C@H](C)c2cc(Cl)ccc2O)c1 ZINC000756820473 1046141013 /nfs/dbraw/zinc/14/10/13/1046141013.db2.gz SDNLCGLPZSNFQI-GFCCVEGCSA-N 0 0 321.804 4.244 20 10 DICDRN COc1cccc(C2([NH2+][C@@H](C)c3cc(F)cc(F)c3[O-])CC2)c1 ZINC000756845934 1046142471 /nfs/dbraw/zinc/14/24/71/1046142471.db2.gz XOYAJHIMVZDNBO-NSHDSACASA-N 0 0 319.351 4.019 20 10 DICDRN CSc1ccc(N[C@@H]2C[C@H](C)c3c2c(O)ccc3F)nc1 ZINC000756844776 1046142741 /nfs/dbraw/zinc/14/27/41/1046142741.db2.gz MEVVHNSLEFHDBG-JOYOIKCWSA-N 0 0 304.390 4.309 20 10 DICDRN CCc1c(N[C@@H](C)c2cc(F)ccc2O)cnn1CC(C)C ZINC000756854223 1046144288 /nfs/dbraw/zinc/14/42/88/1046144288.db2.gz DENSXTVJDDJBRK-LBPRGKRZSA-N 0 0 305.397 4.119 20 10 DICDRN CC(C)CCn1ccc(N[C@H](C)c2cc(F)cc(F)c2O)n1 ZINC000756851809 1046144352 /nfs/dbraw/zinc/14/43/52/1046144352.db2.gz VNTPJEMOQUCVCK-LLVKDONJSA-N 0 0 309.360 4.086 20 10 DICDRN C[C@H](Nc1cc(F)ccc1OC(F)F)c1cc(F)ccc1O ZINC000756850393 1046144428 /nfs/dbraw/zinc/14/44/28/1046144428.db2.gz LVZFROBBMAUWSR-QMMMGPOBSA-N 0 0 315.266 4.445 20 10 DICDRN CCOc1ccc(N[C@@H](C)c2cc(F)cc(F)c2O)cc1OC ZINC000756865724 1046145815 /nfs/dbraw/zinc/14/58/15/1046145815.db2.gz JURAZTRPVIDYDJ-JTQLQIEISA-N 0 0 323.339 4.251 20 10 DICDRN C[C@@H]1C[C@H](Nc2ccn(-c3ccccc3)n2)c2c1c(F)ccc2O ZINC000756866618 1046145900 /nfs/dbraw/zinc/14/59/00/1046145900.db2.gz WXEWCGAOPWKMRQ-DOMZBBRYSA-N 0 0 323.371 4.377 20 10 DICDRN CCCCn1ncc(N[C@H]2C[C@H](C)c3c2c(O)ccc3F)c1C ZINC000756874477 1046147956 /nfs/dbraw/zinc/14/79/56/1046147956.db2.gz PQSUONCVFYWBRH-FZMZJTMJSA-N 0 0 317.408 4.497 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000127425897 1046148856 /nfs/dbraw/zinc/14/88/56/1046148856.db2.gz SUSOMCQUTPOZSE-AWEZNQCLSA-N 0 0 311.212 4.364 20 10 DICDRN COc1ccc(N[C@@H](C)c2ccc(F)cc2O)c2cccnc12 ZINC000756896307 1046149585 /nfs/dbraw/zinc/14/95/85/1046149585.db2.gz PRBIFUUXFVDEGC-NSHDSACASA-N 0 0 312.344 4.261 20 10 DICDRN COc1c(F)cc(F)cc1N[C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000757595494 1046188803 /nfs/dbraw/zinc/18/88/03/1046188803.db2.gz VBOJDPJPYBHZKL-PELKAZGASA-N 0 0 323.314 4.479 20 10 DICDRN C[C@@H](Nc1ccc2c(c1)CCCO2)c1cc(F)cc(F)c1O ZINC000757590840 1046189212 /nfs/dbraw/zinc/18/92/12/1046189212.db2.gz GSFMRSGIOYNXAA-SNVBAGLBSA-N 0 0 305.324 4.169 20 10 DICDRN COc1ccc(O)c([C@H](C)Nc2cccc(CSC)c2)c1 ZINC000757604364 1046191755 /nfs/dbraw/zinc/19/17/55/1046191755.db2.gz PSAIHQSRDMBUIF-LBPRGKRZSA-N 0 0 303.427 4.437 20 10 DICDRN C[C@H](Nc1ccc2c(c1)ncn2C)c1cc2c(cc1O)CCCC2 ZINC000757609918 1046193183 /nfs/dbraw/zinc/19/31/83/1046193183.db2.gz AXPDOCZTMLUFCL-ZDUSSCGKSA-N 0 0 321.424 4.331 20 10 DICDRN C[C@H]1C[C@H](Nc2ccc3c(c2)ncn3C)c2c1c(F)ccc2O ZINC000757613266 1046193228 /nfs/dbraw/zinc/19/32/28/1046193228.db2.gz QKOHKRSFWGMHGD-HZMBPMFUSA-N 0 0 311.360 4.078 20 10 DICDRN Cn1c(-c2ccccc2)cnc1SCC[C@@H](O)c1ccccc1 ZINC000795201547 1046200579 /nfs/dbraw/zinc/20/05/79/1046200579.db2.gz UNYPBKBCDCAUET-GOSISDBHSA-N 0 0 324.449 4.303 20 10 DICDRN CC[C@H](N[C@@H]1c2ccccc2OC[C@@H]1F)c1ccc(F)cc1O ZINC000903266323 1046212922 /nfs/dbraw/zinc/21/29/22/1046212922.db2.gz OFRYMBLTSSOVGJ-RLFYNMQTSA-N 0 0 319.351 4.044 20 10 DICDRN C[C@H](N[C@H]1c2ccccc2OC[C@H]1F)c1cc(Cl)ccc1O ZINC000903272266 1046215666 /nfs/dbraw/zinc/21/56/66/1046215666.db2.gz NUIJGOZFGNLQKY-IXBGWNDUSA-N 0 0 321.779 4.168 20 10 DICDRN COc1ccc(N(C)Cc2cc(Cl)nc(Cl)c2)cc1F ZINC000757851229 1046218991 /nfs/dbraw/zinc/21/89/91/1046218991.db2.gz FVYUSEFBQGAQJU-UHFFFAOYSA-N 0 0 315.175 4.173 20 10 DICDRN COc1ccc(N(C)Cc2nc3cc(F)ccc3o2)cc1Cl ZINC000757857353 1046219801 /nfs/dbraw/zinc/21/98/01/1046219801.db2.gz RRNDDDLKDDGVOR-UHFFFAOYSA-N 0 0 320.751 4.265 20 10 DICDRN COc1cc2c(cc1NCc1cnc(C)nc1)oc1ccccc12 ZINC000795253230 1046223457 /nfs/dbraw/zinc/22/34/57/1046223457.db2.gz PNHOLGDCYSRWOZ-UHFFFAOYSA-N 0 0 319.364 4.305 20 10 DICDRN CCC(=O)Nc1ccc(C)c(N[C@@H](C)c2cc(F)ccc2O)c1 ZINC000321477056 1046232797 /nfs/dbraw/zinc/23/27/97/1046232797.db2.gz GCJCOWJJTMWUSQ-LBPRGKRZSA-N 0 0 316.376 4.361 20 10 DICDRN CC[C@@H]([NH2+]C1CC2(C1)COC(C)(C)C2)c1cccc(Cl)c1[O-] ZINC000903324197 1046240058 /nfs/dbraw/zinc/24/00/58/1046240058.db2.gz NBZMJBMRUWBZFI-HBSPSFQMSA-N 0 0 323.864 4.434 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1c(C)oc(C)c1C ZINC000803390091 1046246483 /nfs/dbraw/zinc/24/64/83/1046246483.db2.gz QUVJADBJEHPVSX-UHFFFAOYSA-N 0 0 315.413 4.353 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1cc[nH]c1C(C)C ZINC000803389190 1046246871 /nfs/dbraw/zinc/24/68/71/1046246871.db2.gz BCQUSUMCWXAAQB-UHFFFAOYSA-N 0 0 314.429 4.286 20 10 DICDRN CC[C@@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1cccc(Cl)c1[O-] ZINC000903363910 1046256872 /nfs/dbraw/zinc/25/68/72/1046256872.db2.gz QQDYUOXAWMYXNZ-XGWLTEMNSA-N 0 0 321.848 4.046 20 10 DICDRN C[C@H]1CN(Cc2cc(Cl)ccc2O)C[C@@H](c2ccsc2)O1 ZINC000245753717 1046266552 /nfs/dbraw/zinc/26/65/52/1046266552.db2.gz OIAHXJKFTBITGE-ZBEGNZNMSA-N 0 0 323.845 4.069 20 10 DICDRN Clc1cnc2[nH]c(-c3ccc(N4CCCCC4)cc3)nc2c1 ZINC000758460077 1046272093 /nfs/dbraw/zinc/27/20/93/1046272093.db2.gz OBVMLFVAQGPXCN-UHFFFAOYSA-N 0 0 312.804 4.269 20 10 DICDRN CC[C@H]([NH2+][C@H](c1ccncc1)C1CC1)c1ccc(F)cc1[O-] ZINC000903428138 1046277570 /nfs/dbraw/zinc/27/75/70/1046277570.db2.gz MHDYIXMZDRUCDR-WMZOPIPTSA-N 0 0 300.377 4.118 20 10 DICDRN Cc1ccc(C)c(N(C)C(=O)/C=C/c2ccc(Cl)nc2)c1 ZINC000758571310 1046279768 /nfs/dbraw/zinc/27/97/68/1046279768.db2.gz BPIORPAPRCXDSQ-VQHVLOKHSA-N 0 0 300.789 4.028 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)c2sccc2Cl)cc1 ZINC000795346768 1046292746 /nfs/dbraw/zinc/29/27/46/1046292746.db2.gz XKIOQOXINFEVAY-UHFFFAOYSA-N 0 0 322.861 4.178 20 10 DICDRN CSc1ccc(N(C)C(=O)/C=C\c2ccc(Cl)nc2)cc1 ZINC000759089663 1046318741 /nfs/dbraw/zinc/31/87/41/1046318741.db2.gz IGABSCJPYMYIAT-WMZJFQQLSA-N 0 0 318.829 4.133 20 10 DICDRN C[C@@H]1CC[C@H](CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000759135373 1046323450 /nfs/dbraw/zinc/32/34/50/1046323450.db2.gz LBWWGWVSAQILGZ-WBVHZDCISA-N 0 0 314.473 4.070 20 10 DICDRN CC[C@H](C)CCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000795394608 1046326006 /nfs/dbraw/zinc/32/60/06/1046326006.db2.gz BCWFBILWRLGPNR-INIZCTEOSA-N 0 0 304.478 4.316 20 10 DICDRN C[C@H]1CC[C@H](CC(=O)NCc2ccc(N3CCCCC3)cc2)C1 ZINC000759172585 1046329619 /nfs/dbraw/zinc/32/96/19/1046329619.db2.gz WHGXWQYVBDRPSI-WMZOPIPTSA-N 0 0 314.473 4.119 20 10 DICDRN Cc1cc2c(ncnc2NCCCSc2nccs2)s1 ZINC000090092759 1046338494 /nfs/dbraw/zinc/33/84/94/1046338494.db2.gz AKTQIMNFQFYRPV-UHFFFAOYSA-N 0 0 322.484 4.051 20 10 DICDRN CC1(C)Nc2ccccc2[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000903948813 1046344399 /nfs/dbraw/zinc/34/43/99/1046344399.db2.gz VETWZURKXXTUBI-INIZCTEOSA-N 0 0 302.805 4.081 20 10 DICDRN O=C(NCc1ccccc1O)c1cc2c(s1)CCCCCC2 ZINC000748355207 1046367827 /nfs/dbraw/zinc/36/78/27/1046367827.db2.gz VRQKUHLWTWJHCI-UHFFFAOYSA-N 0 0 315.438 4.043 20 10 DICDRN CCCCc1noc(CSc2ncc(C(C)(C)C)s2)n1 ZINC000759713306 1046374069 /nfs/dbraw/zinc/37/40/69/1046374069.db2.gz JESWTRHXPCAFKG-UHFFFAOYSA-N 0 0 311.476 4.459 20 10 DICDRN Cc1ccc(NC(=O)NCc2ccccc2O)cc1C(F)(F)F ZINC000748442351 1046375116 /nfs/dbraw/zinc/37/51/16/1046375116.db2.gz IVDAMNILUVGYCD-UHFFFAOYSA-N 0 0 324.302 4.041 20 10 DICDRN O=C(NCc1ccccc1O)N[C@H](c1ccccc1)C1CCCC1 ZINC000748461876 1046377697 /nfs/dbraw/zinc/37/76/97/1046377697.db2.gz OHDNEUJXBPIOIN-LJQANCHMSA-N 0 0 324.424 4.123 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCCC[C@@H]1C ZINC001139123571 1046391692 /nfs/dbraw/zinc/39/16/92/1046391692.db2.gz IWHRBBBINWYYKY-RDJZCZTQSA-N 0 0 303.446 4.347 20 10 DICDRN CC/C(C)=C(\C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000780858295 1046408431 /nfs/dbraw/zinc/40/84/31/1046408431.db2.gz BXMRBCJDIGFKAT-WUKNDPDISA-N 0 0 314.473 4.382 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)c1cc(C)c(F)cc1F ZINC000748846780 1046409800 /nfs/dbraw/zinc/40/98/00/1046409800.db2.gz RGBLYQUUBQTJSY-UHFFFAOYSA-N 0 0 319.351 4.031 20 10 DICDRN CC/C(C)=C(\C)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000780934404 1046411922 /nfs/dbraw/zinc/41/19/22/1046411922.db2.gz JXEJOYKKHDSLLE-BUHFOSPRSA-N 0 0 306.425 4.035 20 10 DICDRN CO[C@H](CSc1ncc(Cl)s1)c1ccc(F)cc1 ZINC000863348424 1046444698 /nfs/dbraw/zinc/44/46/98/1046444698.db2.gz WDUZVGXFHAIOGH-SNVBAGLBSA-N 0 0 303.811 4.415 20 10 DICDRN CO[C@H]1CC=C(Nc2ccccc2Cc2ccc(N)cc2)CC1 ZINC001212883251 1046448308 /nfs/dbraw/zinc/44/83/08/1046448308.db2.gz LABOTQUWAQGJMW-IBGZPJMESA-N 0 0 308.425 4.354 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC(C)(C)C1 ZINC000781604551 1046460313 /nfs/dbraw/zinc/46/03/13/1046460313.db2.gz NPYWGZVETUYISH-QGZVFWFLSA-N 0 0 316.489 4.316 20 10 DICDRN Cc1cc(Br)c([O-])c(C[N@@H+](C)C(C2CC2)C2CC2)c1 ZINC000781904533 1046485012 /nfs/dbraw/zinc/48/50/12/1046485012.db2.gz HWMWXOWKFBROEU-UHFFFAOYSA-N 0 0 324.262 4.084 20 10 DICDRN CN(Cc1cccnc1)c1ccc(OCc2ccccc2)cc1 ZINC000781962663 1046489628 /nfs/dbraw/zinc/48/96/28/1046489628.db2.gz BONJJVVJMSWIBY-UHFFFAOYSA-N 0 0 304.393 4.297 20 10 DICDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC001139683591 1046499083 /nfs/dbraw/zinc/49/90/83/1046499083.db2.gz NQLRLPMYLFTGHF-NSHDSACASA-N 0 0 323.770 4.313 20 10 DICDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001139686016 1046499530 /nfs/dbraw/zinc/49/95/30/1046499530.db2.gz JTYSCOPOJYMVJG-GFCCVEGCSA-N 0 0 323.770 4.313 20 10 DICDRN CCSCc1ccccc1C(=O)N[C@@H](C)c1ccccc1O ZINC000827963941 1046541163 /nfs/dbraw/zinc/54/11/63/1046541163.db2.gz DXUYJFFPBFNFCG-ZDUSSCGKSA-N 0 0 315.438 4.136 20 10 DICDRN Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC001140056486 1046578589 /nfs/dbraw/zinc/57/85/89/1046578589.db2.gz YTTQGMSFJSHYLM-MRXNPFEDSA-N 0 0 307.315 4.147 20 10 DICDRN Oc1ccc(F)cc1C[N@H+](Cc1ccccc1)Cc1cccnc1 ZINC001140055789 1046578957 /nfs/dbraw/zinc/57/89/57/1046578957.db2.gz UYULNIAATXEFMY-UHFFFAOYSA-N 0 0 322.383 4.129 20 10 DICDRN CCN(CC)c1ccc(C[NH2+][C@H]2COc3c2ccc(C)c3C)cc1 ZINC000729685530 1046581993 /nfs/dbraw/zinc/58/19/93/1046581993.db2.gz GSTYLHSMRTTXEG-FQEVSTJZSA-N 0 0 324.468 4.373 20 10 DICDRN CSc1cc2c(cc1N[C@H](C)c1ccccc1O)OCCO2 ZINC000783531407 1046605039 /nfs/dbraw/zinc/60/50/39/1046605039.db2.gz GRNJGEADBWQTJC-LLVKDONJSA-N 0 0 317.410 4.058 20 10 DICDRN C[C@@H](Nc1ccc(-n2cccn2)c(Cl)c1)c1ccccc1O ZINC000783530657 1046605335 /nfs/dbraw/zinc/60/53/35/1046605335.db2.gz ANDYWSKAIVRJDF-GFCCVEGCSA-N 0 0 313.788 4.404 20 10 DICDRN CCOc1cc2c(cc1N[C@@H](C)c1ccccc1O)O[C@@H](C)C2 ZINC000783528557 1046606013 /nfs/dbraw/zinc/60/60/13/1046606013.db2.gz OFNHJEWLPSFENZ-STQMWFEESA-N 0 0 313.397 4.287 20 10 DICDRN Cc1ccc(C2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)cn1 ZINC000783602658 1046613480 /nfs/dbraw/zinc/61/34/80/1046613480.db2.gz JKVQLLCLIOPLKN-UHFFFAOYSA-N 0 0 316.832 4.129 20 10 DICDRN Oc1c(F)cc(Cl)cc1CNc1cnc2c(c1)CCCC2 ZINC000783596721 1046614137 /nfs/dbraw/zinc/61/41/37/1046614137.db2.gz GDLFLQGLCYRXSO-UHFFFAOYSA-N 0 0 306.768 4.071 20 10 DICDRN Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841752472 1046615461 /nfs/dbraw/zinc/61/54/61/1046615461.db2.gz TZVVUXMNCGIXOK-VHSXEESVSA-N 0 0 308.809 4.105 20 10 DICDRN CCC(CC)[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(F)cc2[O-])CCO1 ZINC000248496579 1046618048 /nfs/dbraw/zinc/61/80/48/1046618048.db2.gz LMIJKARJRUQTIU-MRAWALMUSA-N 0 0 309.425 4.166 20 10 DICDRN CC(C(=O)N(Cc1ccco1)Cc1ccccc1O)=C1CCC1 ZINC000827081735 1046620054 /nfs/dbraw/zinc/62/00/54/1046620054.db2.gz SBOIPUDCSCAQLJ-UHFFFAOYSA-N 0 0 311.381 4.014 20 10 DICDRN Cc1cc(C(=O)N[C@@H]2CCC2(C)C)c(C)n1-c1cccc(C)c1 ZINC001140230830 1046620707 /nfs/dbraw/zinc/62/07/07/1046620707.db2.gz GBSALAFABCLJMX-GOSISDBHSA-N 0 0 310.441 4.321 20 10 DICDRN COc1ccc(CN[C@H](c2ccc(C)o2)C(F)(F)F)cc1C ZINC000783671508 1046621191 /nfs/dbraw/zinc/62/11/91/1046621191.db2.gz JNISUGUNKJGDOF-OAHLLOKOSA-N 0 0 313.319 4.298 20 10 DICDRN CCN(C(=O)/C=C/c1cnccc1C)c1cccc(Cl)c1 ZINC000783892007 1046642952 /nfs/dbraw/zinc/64/29/52/1046642952.db2.gz ADMBMOMFXSBKIQ-BQYQJAHWSA-N 0 0 300.789 4.110 20 10 DICDRN Oc1cccc2c1[C@@H](Nc1cccc(N3CCCCC3)c1)CC2 ZINC000834713722 1046655536 /nfs/dbraw/zinc/65/55/36/1046655536.db2.gz GBVSYKWNJKCRCV-SFHVURJKSA-N 0 0 308.425 4.482 20 10 DICDRN Oc1cccc2c1[C@H](Nc1ccccc1OCC(F)F)CC2 ZINC000834730439 1046657041 /nfs/dbraw/zinc/65/70/41/1046657041.db2.gz XVNAGIUNTOJWPF-CYBMUJFWSA-N 0 0 305.324 4.136 20 10 DICDRN Oc1cccc2c1[C@@H](Nc1ccc(OCC(F)F)cc1)CC2 ZINC000834729955 1046658670 /nfs/dbraw/zinc/65/86/70/1046658670.db2.gz OESPKJTUGXLIOA-AWEZNQCLSA-N 0 0 305.324 4.136 20 10 DICDRN Oc1cccc2c1[C@H](Nc1ccc(OCC(F)F)cc1)CC2 ZINC000834729956 1046659358 /nfs/dbraw/zinc/65/93/58/1046659358.db2.gz OESPKJTUGXLIOA-CQSZACIVSA-N 0 0 305.324 4.136 20 10 DICDRN Cc1ccncc1/C=C/C(=O)N1C[C@@H](C)CSc2ccccc21 ZINC000784087811 1046659801 /nfs/dbraw/zinc/65/98/01/1046659801.db2.gz DGEWJPOVBGAVIT-HSBSLETESA-N 0 0 324.449 4.178 20 10 DICDRN CN(Cc1c(O)cccc1Cl)[C@@H](C1CCC1)C(F)(F)F ZINC001140342209 1046667962 /nfs/dbraw/zinc/66/79/62/1046667962.db2.gz XSCFNYYMJSCFGC-ZDUSSCGKSA-N 0 0 307.743 4.208 20 10 DICDRN COc1cc(SC)ccc1N[C@H]1CCc2cccc(O)c21 ZINC000834787330 1046670461 /nfs/dbraw/zinc/67/04/61/1046670461.db2.gz KNVUBKMUBYAOAE-AWEZNQCLSA-N 0 0 301.411 4.222 20 10 DICDRN C[C@@H]([NH2+]C[C@H]1CSc2ccccc21)c1ccc(F)cc1[O-] ZINC000834818174 1046676125 /nfs/dbraw/zinc/67/61/25/1046676125.db2.gz HXSDZSGYUUQMCX-NEPJUHHUSA-N 0 0 303.402 4.071 20 10 DICDRN CC[C@H]([NH2+]CCCC1CCOCC1)c1cccc(Cl)c1[O-] ZINC000834819465 1046676612 /nfs/dbraw/zinc/67/66/12/1046676612.db2.gz XBLFKTMGULLJLK-INIZCTEOSA-N 0 0 311.853 4.293 20 10 DICDRN CN(Cc1ccccc1O)C(=O)CCc1cccc2ccccc21 ZINC001137345657 1046689217 /nfs/dbraw/zinc/68/92/17/1046689217.db2.gz RCWONTNITQGORZ-UHFFFAOYSA-N 0 0 319.404 4.137 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)CCCCO)c1ccc(Cl)c(Cl)c1[O-] ZINC000834877727 1046693114 /nfs/dbraw/zinc/69/31/14/1046693114.db2.gz LBBKONAXQQRKHJ-ZWNOBZJWSA-N 0 0 320.260 4.291 20 10 DICDRN CC(C)[C@H]1C[C@@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2O)CCO1 ZINC000834885355 1046698200 /nfs/dbraw/zinc/69/82/00/1046698200.db2.gz IVTAOUOPWKRKAR-GDZNZVCISA-N 0 0 311.853 4.147 20 10 DICDRN CC(C)[C@@H]1C[C@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2O)CCO1 ZINC000834885353 1046698729 /nfs/dbraw/zinc/69/87/29/1046698729.db2.gz IVTAOUOPWKRKAR-AHIWAGSCSA-N 0 0 311.853 4.147 20 10 DICDRN C[C@@H]([NH2+]C[C@H]1CCCC1(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000834886588 1046700171 /nfs/dbraw/zinc/70/01/71/1046700171.db2.gz UGZQLSNFHIPAKT-NXEZZACHSA-N 0 0 323.305 4.497 20 10 DICDRN C[C@@H]([NH2+]CC[C@]1(C)CC1(Cl)Cl)c1cc(F)cc(F)c1[O-] ZINC000834894682 1046705291 /nfs/dbraw/zinc/70/52/91/1046705291.db2.gz UALJNOPMQAXKDF-AMIZOPFISA-N 0 0 324.198 4.295 20 10 DICDRN Cc1cc(C)c(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])cn1 ZINC000834901598 1046712105 /nfs/dbraw/zinc/71/21/05/1046712105.db2.gz ACRGHRVLNGZNHT-LBPRGKRZSA-N 0 0 324.346 4.274 20 10 DICDRN Cc1cc(C)c(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])cn1 ZINC000834901596 1046712625 /nfs/dbraw/zinc/71/26/25/1046712625.db2.gz ACRGHRVLNGZNHT-GFCCVEGCSA-N 0 0 324.346 4.274 20 10 DICDRN O=C(C1=CC(=O)CS1)N1CCC(c2cccc(Cl)c2)CC1 ZINC000796093056 1046713205 /nfs/dbraw/zinc/71/32/05/1046713205.db2.gz CVSIAUILWCEMOB-UHFFFAOYSA-N 0 0 321.829 4.127 20 10 DICDRN CO[C@@H]([C@@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-])C1CC1 ZINC000834904341 1046713720 /nfs/dbraw/zinc/71/37/20/1046713720.db2.gz NNJTVPDREGOMIU-XWRVAKJBSA-N 0 0 318.244 4.163 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCCN(C)c2ccccc21)c1ccc(F)cc1[O-] ZINC000834901895 1046715115 /nfs/dbraw/zinc/71/51/15/1046715115.db2.gz BALJRHPVOQTDCX-CXAGYDPISA-N 0 0 314.404 4.153 20 10 DICDRN CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)c1ccc(F)cc1[O-] ZINC000796676118 1046716735 /nfs/dbraw/zinc/71/67/35/1046716735.db2.gz DGIMSSBQQDWBGD-ABAIWWIYSA-N 0 0 317.360 4.062 20 10 DICDRN CC[C@H]([NH2+]CCc1csc(C(C)C)n1)c1ccc(F)cc1[O-] ZINC000796747242 1046727577 /nfs/dbraw/zinc/72/75/77/1046727577.db2.gz UOLIZHGDDOBDLE-HNNXBMFYSA-N 0 0 322.449 4.395 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccc(C)cc1OC)c1ccc(F)cc1[O-] ZINC000796798325 1046734084 /nfs/dbraw/zinc/73/40/84/1046734084.db2.gz ZNDFSINLABSJLQ-MRXNPFEDSA-N 0 0 303.377 4.089 20 10 DICDRN CC[C@H]([NH2+]CC1(CCOC)CCCC1)c1ccc(F)cc1[O-] ZINC000796798298 1046735056 /nfs/dbraw/zinc/73/50/56/1046735056.db2.gz ZFBPBTGJPRNGGE-INIZCTEOSA-N 0 0 309.425 4.169 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1ccc(F)cc1[O-] ZINC000796821298 1046740520 /nfs/dbraw/zinc/74/05/20/1046740520.db2.gz UAELWGCUILXDMA-DLBZAZTESA-N 0 0 303.352 4.399 20 10 DICDRN CC[C@@H]([NH2+][C@@H]1COc2c1cccc2Cl)c1ccc(F)cc1[O-] ZINC000796834924 1046741894 /nfs/dbraw/zinc/74/18/94/1046741894.db2.gz OLQYKANUASVFMD-HUUCEWRRSA-N 0 0 321.779 4.359 20 10 DICDRN CC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)CCC(F)(F)F ZINC000835026718 1046745292 /nfs/dbraw/zinc/74/52/92/1046745292.db2.gz FPJCNZXAJPNPIM-WAYWQWQTSA-N 0 0 300.368 4.040 20 10 DICDRN CC[C@H]([NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)c1ccc(F)cc1[O-] ZINC000796853667 1046747499 /nfs/dbraw/zinc/74/74/99/1046747499.db2.gz PTIYSKSOTPCITA-JLJPHGGASA-N 0 0 309.425 4.166 20 10 DICDRN CC[C@H]([NH2+]C1(c2ccccc2F)CC1)c1ccc(F)cc1[O-] ZINC000796881712 1046750157 /nfs/dbraw/zinc/75/01/57/1046750157.db2.gz RDKYRBLCPCUDII-INIZCTEOSA-N 0 0 303.352 4.400 20 10 DICDRN CC[C@H]([NH2+][C@H]1CCO[C@@H](CC(C)C)C1)c1ccc(F)cc1[O-] ZINC000796896002 1046752251 /nfs/dbraw/zinc/75/22/51/1046752251.db2.gz HAGNNHHBYCCCBA-ZOBUZTSGSA-N 0 0 309.425 4.166 20 10 DICDRN CC[C@H]([NH2+][C@H]1CCO[C@H](CC(C)C)C1)c1ccc(F)cc1[O-] ZINC000796895991 1046752779 /nfs/dbraw/zinc/75/27/79/1046752779.db2.gz HAGNNHHBYCCCBA-UXLLHSPISA-N 0 0 309.425 4.166 20 10 DICDRN CC[C@H](Nc1ccc2c(c1)CCCN2C)c1ccc(F)cc1O ZINC000796908822 1046756101 /nfs/dbraw/zinc/75/61/01/1046756101.db2.gz YJNJGWBHPCXYGK-KRWDZBQOSA-N 0 0 314.404 4.477 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc2ncccc2c1)c1ccc(F)cc1[O-] ZINC000796975770 1046766220 /nfs/dbraw/zinc/76/62/20/1046766220.db2.gz OXZBTYQWXFBCES-KRWDZBQOSA-N 0 0 310.372 4.320 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)c1ccc(F)cc1[O-] ZINC000796985765 1046767113 /nfs/dbraw/zinc/76/71/13/1046767113.db2.gz SIPAVGHWGYVSLI-BXUZGUMPSA-N 0 0 301.352 4.398 20 10 DICDRN CC[C@@H]([NH2+]CCc1cc(F)ccc1F)c1ccc(F)cc1[O-] ZINC000796780156 1046770132 /nfs/dbraw/zinc/77/01/32/1046770132.db2.gz PIPBTUAJKMJOOC-MRXNPFEDSA-N 0 0 309.331 4.093 20 10 DICDRN CC[C@H]([NH2+][C@H](C)c1c(F)cccc1OC)c1ccc(F)cc1[O-] ZINC000796782499 1046782845 /nfs/dbraw/zinc/78/28/45/1046782845.db2.gz AYISTBUGHMUFMX-ABAIWWIYSA-N 0 0 321.367 4.481 20 10 DICDRN CC[C@@H]([NH2+]CC1(c2ccccn2)CCC1)c1ccc(F)cc1[O-] ZINC000797101778 1046791018 /nfs/dbraw/zinc/79/10/18/1046791018.db2.gz VKYQSYUKZJGWDP-MRXNPFEDSA-N 0 0 314.404 4.089 20 10 DICDRN CC[C@@H](C(=O)N(CC)Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000302811902 1046810519 /nfs/dbraw/zinc/81/05/19/1046810519.db2.gz OVMGWMSDFPPQOJ-HXUWFJFHSA-N 0 0 324.468 4.295 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C)c(C)s1 ZINC000302816200 1046812693 /nfs/dbraw/zinc/81/26/93/1046812693.db2.gz VILCXSHCSYZFLG-UHFFFAOYSA-N 0 0 316.470 4.093 20 10 DICDRN Cc1cccc(C)c1NC1=NC(=O)C(=Cc2ccsc2)S1 ZINC000206988073 1046837102 /nfs/dbraw/zinc/83/71/02/1046837102.db2.gz XPTGCUZQZAGVLJ-JYRVWZFOSA-N 0 0 314.435 4.447 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1[C@H](c2ccccc2)[C@@H]1C ZINC000797737486 1046879740 /nfs/dbraw/zinc/87/97/40/1046879740.db2.gz BPPNXFBKNICTFB-RYGJVYDSSA-N 0 0 323.436 4.181 20 10 DICDRN CCc1ccnc(CNC(=S)Nc2ccc(C(C)C)cc2)c1 ZINC000797792444 1046883050 /nfs/dbraw/zinc/88/30/50/1046883050.db2.gz CPIHBPTWCQFPLP-UHFFFAOYSA-N 0 0 313.470 4.254 20 10 DICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000797876970 1046899362 /nfs/dbraw/zinc/89/93/62/1046899362.db2.gz KQIKULMBPCAYAC-JOCQHMNTSA-N 0 0 305.780 4.221 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)CC1CCCC1 ZINC000303531277 1046931212 /nfs/dbraw/zinc/93/12/12/1046931212.db2.gz FWOZNSGUZIMKNZ-HNNXBMFYSA-N 0 0 303.446 4.347 20 10 DICDRN C[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000798182309 1046933312 /nfs/dbraw/zinc/93/33/12/1046933312.db2.gz RFXMCDDSXXHODS-MXWKQRLJSA-N 0 0 317.351 4.018 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H]1C[C@H]1C(C)C ZINC001140869679 1046937613 /nfs/dbraw/zinc/93/76/13/1046937613.db2.gz SHELFZUHYSNPFX-GJZGRUSLSA-N 0 0 316.470 4.178 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000827388881 1046959727 /nfs/dbraw/zinc/95/97/27/1046959727.db2.gz JWFCQXMXCAZIJG-UHFFFAOYSA-N 0 0 319.754 4.242 20 10 DICDRN COc1ccccc1C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000303767113 1046963598 /nfs/dbraw/zinc/96/35/98/1046963598.db2.gz BAOKCCDKLKSZCS-UHFFFAOYSA-N 0 0 324.424 4.328 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000798964770 1046994743 /nfs/dbraw/zinc/99/47/43/1046994743.db2.gz MWJWQIYBDYGVLF-NSHDSACASA-N 0 0 323.223 4.084 20 10 DICDRN Cc1cc(/C=C2\c3cc(Cl)ccc3N(C)C2=O)cnc1Cl ZINC000799501448 1047039624 /nfs/dbraw/zinc/03/96/24/1047039624.db2.gz CZCPKQQTSZVCPC-AWNIVKPZSA-N 0 0 319.191 4.214 20 10 DICDRN CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000799730020 1047058388 /nfs/dbraw/zinc/05/83/88/1047058388.db2.gz UZKZNHSGLKEDEH-ICCXJUOJSA-N 0 0 318.244 4.307 20 10 DICDRN CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000799730021 1047059170 /nfs/dbraw/zinc/05/91/70/1047059170.db2.gz UZKZNHSGLKEDEH-XDTLVQLUSA-N 0 0 318.244 4.307 20 10 DICDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)CC2CCCCC2)c1 ZINC001116066938 1047105033 /nfs/dbraw/zinc/10/50/33/1047105033.db2.gz ZRKBXFRKYFLMAP-UONOGXRCSA-N 0 0 319.445 4.185 20 10 DICDRN Cc1cc(C(=O)Nc2cccc(O)c2)c(C)n1-c1cccc(C)c1 ZINC000098066665 1047126830 /nfs/dbraw/zinc/12/68/30/1047126830.db2.gz DOGPAHMYHDDINR-UHFFFAOYSA-N 0 0 320.392 4.360 20 10 DICDRN Cc1cc(C(=O)NOC(C)C)c(C)n1-c1cccc(C(C)C)c1 ZINC001141476481 1047145006 /nfs/dbraw/zinc/14/50/06/1047145006.db2.gz YPYZAZJUCVXKBE-UHFFFAOYSA-N 0 0 314.429 4.287 20 10 DICDRN Cc1ccc(C)n1-c1ccc(-c2nnc(-c3ccccn3)o2)cc1 ZINC001117160581 1047197121 /nfs/dbraw/zinc/19/71/21/1047197121.db2.gz FFTLJXCZZZGBLC-UHFFFAOYSA-N 0 0 316.364 4.206 20 10 DICDRN O=C(CSc1nccs1)c1cccc(C(F)(F)F)c1 ZINC000133222155 1047199318 /nfs/dbraw/zinc/19/93/18/1047199318.db2.gz ZVGRSDWFAHRTMS-UHFFFAOYSA-N 0 0 303.330 4.137 20 10 DICDRN Cc1c(Cl)cc(NC(=O)C2=CC(=O)CS2)cc1Cl ZINC001141709329 1047273538 /nfs/dbraw/zinc/27/35/38/1047273538.db2.gz DBANRPVZTVMZQD-UHFFFAOYSA-N 0 0 302.182 4.321 20 10 DICDRN CC(C)(C)c1ccc(NC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000929143177 1047274198 /nfs/dbraw/zinc/27/41/98/1047274198.db2.gz ZWHGJWFGXLWDLW-UHFFFAOYSA-N 0 0 310.397 4.237 20 10 DICDRN C[C@@H](NC(=O)CC1CC(c2ccccc2)C1)c1ccccc1O ZINC000827946585 1047280145 /nfs/dbraw/zinc/28/01/45/1047280145.db2.gz NBGOCYMEEGYNQW-HPUBIQBYSA-N 0 0 309.409 4.153 20 10 DICDRN C[C@@H](Nc1ccc(N2CCCC2)cc1)c1ccc(F)cc1O ZINC000387861836 1047285196 /nfs/dbraw/zinc/28/51/96/1047285196.db2.gz LQOUKYXRRWCIGT-CYBMUJFWSA-N 0 0 300.377 4.305 20 10 DICDRN O=C(Nc1cccc(N2CCCC2)c1)c1cccc2[nH]ccc21 ZINC000390375469 1047297470 /nfs/dbraw/zinc/29/74/70/1047297470.db2.gz SFNVCBNLEUOTGJ-UHFFFAOYSA-N 0 0 305.381 4.020 20 10 DICDRN CCN(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CC(C)(C)C1 ZINC000840354844 1047299624 /nfs/dbraw/zinc/29/96/24/1047299624.db2.gz QDSIIBIROUAEBL-CQSZACIVSA-N 0 0 317.477 4.034 20 10 DICDRN CC(C)C(=O)Nc1ccc(N[C@@H](C)c2cc(F)ccc2O)cc1 ZINC000391278730 1047304338 /nfs/dbraw/zinc/30/43/38/1047304338.db2.gz LZQLUVSRZGRBGA-LBPRGKRZSA-N 0 0 316.376 4.299 20 10 DICDRN Cc1cccnc1[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C(C)(C)C ZINC000897993850 1047306266 /nfs/dbraw/zinc/30/62/66/1047306266.db2.gz KSAPGVKXFCRLAA-KRWDZBQOSA-N 0 0 320.383 4.251 20 10 DICDRN Oc1cccc2c1[C@@H](Nc1ccc(N3CCCC3)c(F)c1)CC2 ZINC000391845524 1047306649 /nfs/dbraw/zinc/30/66/49/1047306649.db2.gz KYXODKMPAOHWLO-INIZCTEOSA-N 0 0 312.388 4.231 20 10 DICDRN FC(F)c1cncc(NCc2ccc(N3CCCC3)cc2)c1 ZINC001118984043 1047320172 /nfs/dbraw/zinc/32/01/72/1047320172.db2.gz XBQWBFFTMODQSI-UHFFFAOYSA-N 0 0 303.356 4.232 20 10 DICDRN C[C@H](C(=O)NCc1ccccc1O)c1c(Cl)cccc1Cl ZINC000725895277 1047324577 /nfs/dbraw/zinc/32/45/77/1047324577.db2.gz CCSPAJWADIBXFX-JTQLQIEISA-N 0 0 324.207 4.119 20 10 DICDRN CC[C@H]([NH2+]Cc1cnc(C)o1)c1ccc(Cl)c(Cl)c1[O-] ZINC000840794502 1047333530 /nfs/dbraw/zinc/33/35/30/1047333530.db2.gz JHEWQPRBJPBJSV-LBPRGKRZSA-N 0 0 315.200 4.236 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H](C)CCOC)c1cc(Cl)cc(Cl)c1[O-] ZINC000840835137 1047340699 /nfs/dbraw/zinc/34/06/99/1047340699.db2.gz HGJJCOOBAIIGAQ-IINYFYTJSA-N 0 0 320.260 4.412 20 10 DICDRN COc1cc(N[C@@H](C)c2ccccc2O)c(Cl)c(OC)c1 ZINC000840850733 1047344952 /nfs/dbraw/zinc/34/49/52/1047344952.db2.gz VXXNCZDFKZRFNB-JTQLQIEISA-N 0 0 307.777 4.236 20 10 DICDRN Cc1ccc([C@H](C)Nc2cccc([C@@H]3CCC(=O)N3)c2)c(O)c1C ZINC000840883266 1047352322 /nfs/dbraw/zinc/35/23/22/1047352322.db2.gz FJHHWOWEMCRLPK-KSSFIOAISA-N 0 0 324.424 4.133 20 10 DICDRN CC[C@@H]([NH2+]CC(C)(C)c1cccnc1)c1cccc(Cl)c1[O-] ZINC000840891615 1047354238 /nfs/dbraw/zinc/35/42/38/1047354238.db2.gz ISEAJPDFAYHRRF-MRXNPFEDSA-N 0 0 318.848 4.459 20 10 DICDRN CC[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1cccc(Cl)c1[O-] ZINC000840890856 1047355462 /nfs/dbraw/zinc/35/54/62/1047355462.db2.gz NHJVPVJSXHITMP-LBPRGKRZSA-N 0 0 323.849 4.015 20 10 DICDRN Cc1cc(O)c(CNc2ccc([C@@H]3CCOC3)cc2)c(Cl)c1 ZINC000840949184 1047362668 /nfs/dbraw/zinc/36/26/68/1047362668.db2.gz QAVHIAOISJUBNK-CQSZACIVSA-N 0 0 317.816 4.470 20 10 DICDRN O=C(Nc1cccc(N2CCCCC2)c1)c1cccc(F)c1F ZINC000726504107 1047363432 /nfs/dbraw/zinc/36/34/32/1047363432.db2.gz USBVTGVKTFPPMR-UHFFFAOYSA-N 0 0 316.351 4.207 20 10 DICDRN CCCN(CCC)c1ccc(CN[C@@H](C)c2csnn2)cc1 ZINC000840970801 1047365026 /nfs/dbraw/zinc/36/50/26/1047365026.db2.gz WNDPOBQTCGVIBQ-AWEZNQCLSA-N 0 0 318.490 4.015 20 10 DICDRN Nc1ccc(NCc2cc(Cl)ccc2OCC2CC2)cc1 ZINC000841040628 1047373564 /nfs/dbraw/zinc/37/35/64/1047373564.db2.gz QERKSTPOUCNPAD-UHFFFAOYSA-N 0 0 302.805 4.323 20 10 DICDRN CCCOc1c(CNc2ccc(N)cc2)cccc1OCC ZINC000841040302 1047374018 /nfs/dbraw/zinc/37/40/18/1047374018.db2.gz NVZHYRDTZFZJSW-UHFFFAOYSA-N 0 0 300.402 4.068 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)Cc2cccc(C)c2)cc1 ZINC000726753175 1047378889 /nfs/dbraw/zinc/37/88/89/1047378889.db2.gz YIFODXGEEOJTFE-UHFFFAOYSA-N 0 0 324.468 4.042 20 10 DICDRN FC(F)Oc1ccc2c(c1)CCCN2C[C@H]1CCC(F)(F)C1 ZINC001307537070 1047379977 /nfs/dbraw/zinc/37/99/77/1047379977.db2.gz LRAAGFBHJXNHCM-NSHDSACASA-N 0 0 317.326 4.476 20 10 DICDRN CN(Cc1ccccc1O)Cc1c(Cl)cc(O)cc1Cl ZINC001142118650 1047382555 /nfs/dbraw/zinc/38/25/55/1047382555.db2.gz VESRVHLIOXURMQ-UHFFFAOYSA-N 0 0 312.196 4.037 20 10 DICDRN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(N)cc1 ZINC000841300150 1047400252 /nfs/dbraw/zinc/40/02/52/1047400252.db2.gz OOZCZXFVIAZFRA-RTBURBONSA-N 0 0 323.440 4.459 20 10 DICDRN C[C@@H](NC(=O)Nc1ccc(N)cc1)C1(c2ccccc2)CCCC1 ZINC000841295564 1047400421 /nfs/dbraw/zinc/40/04/21/1047400421.db2.gz BLELFASSXDAOJE-OAHLLOKOSA-N 0 0 323.440 4.291 20 10 DICDRN Nc1ccc(NC(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000841298310 1047400442 /nfs/dbraw/zinc/40/04/42/1047400442.db2.gz ZTAGWKMIGRAPBT-CRAIPNDOSA-N 0 0 309.413 4.117 20 10 DICDRN Nc1ccc(NC(=O)N[C@@H](CC2CCC2)c2ccccc2)cc1 ZINC000841295624 1047400504 /nfs/dbraw/zinc/40/05/04/1047400504.db2.gz CWDHTCCKMHMBPB-SFHVURJKSA-N 0 0 309.413 4.322 20 10 DICDRN Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccc(N)cc2)cc1 ZINC000841300238 1047400598 /nfs/dbraw/zinc/40/05/98/1047400598.db2.gz NNNDEQITULMZBS-GOSISDBHSA-N 0 0 309.413 4.336 20 10 DICDRN Cc1cc(C)cc(C2=CCN(C(=O)Nc3ccc(N)cc3)CC2)c1 ZINC000841295573 1047400654 /nfs/dbraw/zinc/40/06/54/1047400654.db2.gz BMCRVUOCLKHJJY-UHFFFAOYSA-N 0 0 321.424 4.207 20 10 DICDRN Nc1ccc(NC(=O)NC(C2CCCC2)C2CCCC2)cc1 ZINC000841299404 1047401459 /nfs/dbraw/zinc/40/14/59/1047401459.db2.gz CHEBQEQHLCCLGM-UHFFFAOYSA-N 0 0 301.434 4.139 20 10 DICDRN Cc1ccccc1[C@H](CC(C)C)NC(=O)Nc1ccc(N)cc1 ZINC000841300786 1047401687 /nfs/dbraw/zinc/40/16/87/1047401687.db2.gz VCSHVBQGBJACNC-SFHVURJKSA-N 0 0 311.429 4.486 20 10 DICDRN Nc1ccc(NC(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)cc1 ZINC000841300684 1047402066 /nfs/dbraw/zinc/40/20/66/1047402066.db2.gz ZTMXPLTXCFJRMG-KRWDZBQOSA-N 0 0 307.397 4.028 20 10 DICDRN Nc1ccc(NC(=O)N2CCC[C@H]2CC2CCCCC2)cc1 ZINC000841301404 1047402883 /nfs/dbraw/zinc/40/28/83/1047402883.db2.gz NXGOXIGGQBGSBD-KRWDZBQOSA-N 0 0 301.434 4.236 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])[C@@H]1CCCOC1 ZINC000757635898 1047409531 /nfs/dbraw/zinc/40/95/31/1047409531.db2.gz BBEOFUZZDJPSLP-OUAUKWLOSA-N 0 0 318.244 4.165 20 10 DICDRN CC(C)[C@H](C(=O)NCc1ccccc1O)c1cccc(Cl)c1 ZINC000749530077 1047425653 /nfs/dbraw/zinc/42/56/53/1047425653.db2.gz GFQGSNVWEBQKJG-KRWDZBQOSA-N 0 0 317.816 4.102 20 10 DICDRN CC[C@@H](CC1CCCCC1)C(=O)N(C)Cc1ccccc1O ZINC000749529141 1047426390 /nfs/dbraw/zinc/42/63/90/1047426390.db2.gz BXDFDMTWQOSFAG-INIZCTEOSA-N 0 0 303.446 4.347 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000749852347 1047439656 /nfs/dbraw/zinc/43/96/56/1047439656.db2.gz YTNRMTCFQHTYQV-FUHWJXTLSA-N 0 0 316.489 4.318 20 10 DICDRN CCCC(CCC)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC001142410909 1047442056 /nfs/dbraw/zinc/44/20/56/1047442056.db2.gz VVTXYMLSUTUIHC-UHFFFAOYSA-N 0 0 304.478 4.318 20 10 DICDRN C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)c1cccc([N+](=O)[O-])c1 ZINC000841746467 1047448430 /nfs/dbraw/zinc/44/84/30/1047448430.db2.gz ZMOSZKJULHOLQW-GHMZBOCLSA-N 0 0 320.776 4.366 20 10 DICDRN C[C@@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1ccc(Cl)cc1O ZINC000841748271 1047448454 /nfs/dbraw/zinc/44/84/54/1047448454.db2.gz JTXRNQRQHTVMGZ-BMIGLBTASA-N 0 0 321.779 4.359 20 10 DICDRN C[C@H]([NH2+]CCC[C@H]1CCCC[C@@H]1O)c1ccc(Cl)cc1[O-] ZINC000841751447 1047450269 /nfs/dbraw/zinc/45/02/69/1047450269.db2.gz NBILQRNNOMJHEQ-ZENOOKHLSA-N 0 0 311.853 4.028 20 10 DICDRN Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841752469 1047450623 /nfs/dbraw/zinc/45/06/23/1047450623.db2.gz TZVVUXMNCGIXOK-NXEZZACHSA-N 0 0 308.809 4.105 20 10 DICDRN Cc1cccc(CCC[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])n1 ZINC000841753242 1047451297 /nfs/dbraw/zinc/45/12/97/1047451297.db2.gz FOSGXEJJYBVWJV-ZDUSSCGKSA-N 0 0 304.821 4.032 20 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/nfs/dbraw/zinc/49/16/09/1047491609.db2.gz PDSWYJQKXKRSSA-UHFFFAOYSA-N 0 0 319.404 4.021 20 10 DICDRN CC[C@H](Oc1cccc(C)c1)c1nc(Cc2ccc(N)cc2)no1 ZINC000843158943 1047529889 /nfs/dbraw/zinc/52/98/89/1047529889.db2.gz IVULQTKXPFGTBV-KRWDZBQOSA-N 0 0 323.396 4.081 20 10 DICDRN C[C@H](CCCc1ccccc1)c1nc(Cc2ccc(N)cc2)no1 ZINC000843158714 1047529912 /nfs/dbraw/zinc/52/99/12/1047529912.db2.gz HVRQRLSHUYLUOG-OAHLLOKOSA-N 0 0 321.424 4.369 20 10 DICDRN Cc1ccccc1C1(c2nc(Cc3ccc(N)cc3)no2)CCC1 ZINC000843160949 1047530192 /nfs/dbraw/zinc/53/01/92/1047530192.db2.gz MRUTVYQYESQRNG-UHFFFAOYSA-N 0 0 319.408 4.021 20 10 DICDRN Cc1cc(C(=O)Nc2ccc(F)nc2)c(C)n1-c1cccc(C)c1 ZINC001149742012 1047568195 /nfs/dbraw/zinc/56/81/95/1047568195.db2.gz RVPGMXDPHACYBF-UHFFFAOYSA-N 0 0 323.371 4.189 20 10 DICDRN Cc1cc(C(=O)Nc2ccc(C)nc2)c(C)n1-c1ccc(F)cc1 ZINC001150001328 1047573015 /nfs/dbraw/zinc/57/30/15/1047573015.db2.gz YOMZUOJLNBKJOG-UHFFFAOYSA-N 0 0 323.371 4.189 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1ccc(C)nc1 ZINC001150001245 1047573177 /nfs/dbraw/zinc/57/31/77/1047573177.db2.gz WTEDWJIFFBMDBE-UHFFFAOYSA-N 0 0 319.408 4.358 20 10 DICDRN C[C@@H](NC(=O)c1cc2cc(F)ccc2s1)c1ccccc1O ZINC001151885651 1047603512 /nfs/dbraw/zinc/60/35/12/1047603512.db2.gz ATIMJELEESHOBV-SNVBAGLBSA-N 0 0 315.369 4.237 20 10 DICDRN Cc1cc(CCCC(=O)N[C@H](C)c2ccccc2O)c(C)s1 ZINC001151885931 1047603705 /nfs/dbraw/zinc/60/37/05/1047603705.db2.gz NXASCIPAXIDQCA-CYBMUJFWSA-N 0 0 317.454 4.271 20 10 DICDRN COc1ccc(OC(F)F)c(N[C@@H](C)c2cc(C)ccc2O)c1 ZINC000192765052 1047621491 /nfs/dbraw/zinc/62/14/91/1047621491.db2.gz IUZJWIQZVGGJLK-NSHDSACASA-N 0 0 323.339 4.484 20 10 DICDRN CCOc1ccc(N[C@@H](CC)c2ccccc2O)cc1OC ZINC000192782776 1047627370 /nfs/dbraw/zinc/62/73/70/1047627370.db2.gz QTHYKDSQLXLLJB-HNNXBMFYSA-N 0 0 301.386 4.363 20 10 DICDRN Cc1ccc(C)n1-c1ccc(-c2noc(-c3ncoc3C)n2)cc1 ZINC001212992728 1047644733 /nfs/dbraw/zinc/64/47/33/1047644733.db2.gz RIRUYCBBAQVARC-UHFFFAOYSA-N 0 0 320.352 4.108 20 10 DICDRN C[C@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)CC(C)(C)C ZINC001154339813 1047645541 /nfs/dbraw/zinc/64/55/41/1047645541.db2.gz YOCFDORCJNLLFQ-GFCCVEGCSA-N 0 0 318.421 4.041 20 10 DICDRN CCN(Cc1ccccc1O)C(F)(F)c1cccc(Cl)n1 ZINC001154889621 1047660584 /nfs/dbraw/zinc/66/05/84/1047660584.db2.gz AGYVEODLCHKCIM-UHFFFAOYSA-N 0 0 312.747 4.012 20 10 DICDRN CCN(Cc1ccccc1O)c1cc(-c2ccccc2)ccn1 ZINC001154890371 1047661332 /nfs/dbraw/zinc/66/13/32/1047661332.db2.gz XLLGYKVSZLKNPV-UHFFFAOYSA-N 0 0 304.393 4.481 20 10 DICDRN O=C(NCc1c(O)ccc2ccccc21)C1[C@@H]2CCCCCC[C@@H]12 ZINC001157051312 1047733643 /nfs/dbraw/zinc/73/36/43/1047733643.db2.gz RCDAVKUKULCRGJ-IAGOWNOFSA-N 0 0 323.436 4.378 20 10 DICDRN Cc1ccc2cnccc2c1NCc1ccc(N(C)C)c(F)c1 ZINC001203379331 1047734598 /nfs/dbraw/zinc/73/45/98/1047734598.db2.gz LKTBWWLZODEYKK-UHFFFAOYSA-N 0 0 309.388 4.360 20 10 DICDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCCCCCCC1 ZINC001158268940 1047773217 /nfs/dbraw/zinc/77/32/17/1047773217.db2.gz MIUJPNDOWIJTNG-UHFFFAOYSA-N 0 0 319.426 4.109 20 10 DICDRN CC[C@H]([NH2+][C@@H](c1cnn(C)c1)C(C)C)c1cccc(Cl)c1[O-] ZINC000927070105 1047796523 /nfs/dbraw/zinc/79/65/23/1047796523.db2.gz NVAGHMLMCPDHOP-JKSUJKDBSA-N 0 0 321.852 4.217 20 10 DICDRN Nc1ccc(Nc2cc(Br)nc3ccccc32)cc1 ZINC001159250136 1047823482 /nfs/dbraw/zinc/82/34/82/1047823482.db2.gz ZBLGLHAZJSGZNQ-UHFFFAOYSA-N 0 0 314.186 4.323 20 10 DICDRN CC1=CC(C(=O)Nc2ccc(-c3ccncc3)c(C)c2)=S=C1C ZINC000553222466 1047831091 /nfs/dbraw/zinc/83/10/91/1047831091.db2.gz VFZAURQTKJZVEH-UHFFFAOYSA-N 0 0 322.433 4.053 20 10 DICDRN Cc1cc(Nc2ccc(N)cc2)c(Br)nc1Cl ZINC001159318051 1047833915 /nfs/dbraw/zinc/83/39/15/1047833915.db2.gz VCRHQVBKMGBIMM-UHFFFAOYSA-N 0 0 312.598 4.132 20 10 DICDRN Cc1ccc2c(C3=CCN(c4ccc(F)cn4)CC3)c[nH]c2c1 ZINC000553298971 1047836282 /nfs/dbraw/zinc/83/62/82/1047836282.db2.gz PUCJQEIOZVUWCA-UHFFFAOYSA-N 0 0 307.372 4.304 20 10 DICDRN Nc1ccc(Nc2cc(C3CCC3)nn2-c2ccccc2)cc1 ZINC001159372299 1047836405 /nfs/dbraw/zinc/83/64/05/1047836405.db2.gz OMUCXZSZHWNIQR-UHFFFAOYSA-N 0 0 304.397 4.466 20 10 DICDRN O=C(c1ccccc1F)c1cc(Cl)ccc1Nc1cc[nH]n1 ZINC001159477785 1047852411 /nfs/dbraw/zinc/85/24/11/1047852411.db2.gz RHPLLQNVPPEVBE-UHFFFAOYSA-N 0 0 315.735 4.177 20 10 DICDRN CC(C)Oc1c(Nc2ccc3c(c2)CCN3)ccc(F)c1F ZINC001159522117 1047860274 /nfs/dbraw/zinc/86/02/74/1047860274.db2.gz CTAIGSLWROAZGX-UHFFFAOYSA-N 0 0 304.340 4.464 20 10 DICDRN OCc1cc(Cl)c(Nc2ccc3c(c2)CCN3)c(Cl)c1 ZINC001159522169 1047860320 /nfs/dbraw/zinc/86/03/20/1047860320.db2.gz DRJBLAPGQPPTAK-UHFFFAOYSA-N 0 0 309.196 4.197 20 10 DICDRN O=C(CCCc1ccc2ccccc2c1)NCc1ccccc1O ZINC000775779890 1047867199 /nfs/dbraw/zinc/86/71/99/1047867199.db2.gz JEKZSPRANWZSTE-UHFFFAOYSA-N 0 0 319.404 4.185 20 10 DICDRN COc1ccc(C(C)=O)c(Nc2ccc3c(c2)CCCN3)c1C ZINC001159601033 1047880318 /nfs/dbraw/zinc/88/03/18/1047880318.db2.gz RGASDUSSZXNDCJ-UHFFFAOYSA-N 0 0 310.397 4.308 20 10 DICDRN CCn1cc(Nc2ccc(C)cc2C(=O)c2ccccc2)cn1 ZINC001174573516 1047890660 /nfs/dbraw/zinc/89/06/60/1047890660.db2.gz DOVHEIKPQVUSQN-UHFFFAOYSA-N 0 0 305.381 4.186 20 10 DICDRN COc1cc(Nc2ccc(Cc3ccc(N)cc3)cc2)ccc1O ZINC001174544568 1047900653 /nfs/dbraw/zinc/90/06/53/1047900653.db2.gz RUHNFABBQAHNER-UHFFFAOYSA-N 0 0 320.392 4.317 20 10 DICDRN CCn1cc(Nc2ccccc2C(=O)c2ccc(F)cc2)cn1 ZINC001174567601 1047906523 /nfs/dbraw/zinc/90/65/23/1047906523.db2.gz GYWQUFIYXKWIPQ-UHFFFAOYSA-N 0 0 309.344 4.017 20 10 DICDRN Cc1ccc(NC(=S)NCc2cc3ccccc3cc2O)cc1 ZINC001197951218 1047906637 /nfs/dbraw/zinc/90/66/37/1047906637.db2.gz UGUWXUQWAZIAJK-UHFFFAOYSA-N 0 0 322.433 4.340 20 10 DICDRN Cc1ccc(NC(=S)NCc2cc3ccccc3cn2)c(C)c1 ZINC001198006151 1047912548 /nfs/dbraw/zinc/91/25/48/1047912548.db2.gz NTLSISDCVHUUJJ-UHFFFAOYSA-N 0 0 321.449 4.338 20 10 DICDRN CCN(Cc1ccccc1O)C(=S)Nc1ccc(C)cc1C ZINC001197980564 1047916565 /nfs/dbraw/zinc/91/65/65/1047916565.db2.gz DIPDIIAAJKWKNE-UHFFFAOYSA-N 0 0 314.454 4.228 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H](CF)c1ccc(F)cc1 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CC(C)(C)c1ccc(NC(=S)NCc2cc(F)ccn2)cc1 ZINC001198505467 1047965602 /nfs/dbraw/zinc/96/56/02/1047965602.db2.gz QJDOEGMFXGTTNL-UHFFFAOYSA-N 0 0 317.433 4.005 20 10 DICDRN Oc1cc2ccccc2cc1CNc1nc2ccc(Cl)nc2[nH]1 ZINC001160205949 1047995741 /nfs/dbraw/zinc/99/57/41/1047995741.db2.gz DODUZFAPUPCLNT-UHFFFAOYSA-N 0 0 324.771 4.082 20 10 DICDRN Cc1cc(C(C)C)nc(NCc2cc3ccccc3cc2O)n1 ZINC001160205880 1047995789 /nfs/dbraw/zinc/99/57/89/1047995789.db2.gz AZVZUHKTCDYYMM-UHFFFAOYSA-N 0 0 307.397 4.379 20 10 DICDRN Oc1cc2ccccc2cc1CNc1ncnc2c(F)cccc12 ZINC001160206404 1047995813 /nfs/dbraw/zinc/99/58/13/1047995813.db2.gz IALWHVFSYAGBDR-UHFFFAOYSA-N 0 0 319.339 4.240 20 10 DICDRN Oc1cc2ccccc2cc1CNc1nc(Cl)cnc1Cl ZINC001160206897 1047995848 /nfs/dbraw/zinc/99/58/48/1047995848.db2.gz NSYRCRYUAIIKNK-UHFFFAOYSA-N 0 0 320.179 4.254 20 10 DICDRN Oc1cc2ccccc2cc1CNc1ncnc2ccsc21 ZINC001160206662 1047996143 /nfs/dbraw/zinc/99/61/43/1047996143.db2.gz OGPSDSJQZDQIHA-UHFFFAOYSA-N 0 0 307.378 4.162 20 10 DICDRN Cc1nc2ccsc2c(NCc2cc3ccccc3cc2O)n1 ZINC001160207225 1047997506 /nfs/dbraw/zinc/99/75/06/1047997506.db2.gz UTYWOBYLNFUBQJ-UHFFFAOYSA-N 0 0 321.405 4.471 20 10 DICDRN CC(C)c1cncc(NCc2ccc(Br)cc2O)c1 ZINC001184106764 1047998029 /nfs/dbraw/zinc/99/80/29/1047998029.db2.gz VFJQKJQSAXATCH-UHFFFAOYSA-N 0 0 321.218 4.285 20 10 DICDRN COC(=O)c1cccc(-c2cccc(Nc3ccc(N)cc3)c2)c1 ZINC001160222756 1048004374 /nfs/dbraw/zinc/00/43/74/1048004374.db2.gz NNXWFTWNGPTRDJ-UHFFFAOYSA-N 0 0 318.376 4.466 20 10 DICDRN Cc1ccc(O)c(CNc2ccccc2OCC(F)(F)F)c1 ZINC000103855371 1048006259 /nfs/dbraw/zinc/00/62/59/1048006259.db2.gz NYGBZYNCOLZXEC-UHFFFAOYSA-N 0 0 311.303 4.254 20 10 DICDRN Nc1ccc(Cc2ccc(Nc3ccc4c(c3)OCO4)cc2)cc1 ZINC001174866329 1048007326 /nfs/dbraw/zinc/00/73/26/1048007326.db2.gz JDWXYNDKTLWZEZ-UHFFFAOYSA-N 0 0 318.376 4.332 20 10 DICDRN O=C(c1ccncc1)c1ccccc1Nc1cccc2c1CCN2 ZINC001160264030 1048014337 /nfs/dbraw/zinc/01/43/37/1048014337.db2.gz RPIXHLZWQXVGJZ-UHFFFAOYSA-N 0 0 315.376 4.024 20 10 DICDRN COc1cnc(F)cc1Nc1ccc2c(c1)C(C)(C)CCN2 ZINC001160331081 1048033867 /nfs/dbraw/zinc/03/38/67/1048033867.db2.gz CHVPVDQMXJFBLU-UHFFFAOYSA-N 0 0 301.365 4.066 20 10 DICDRN Nc1ccc(Nc2c(O)c(Br)ccc2Cl)cc1 ZINC001160333007 1048035316 /nfs/dbraw/zinc/03/53/16/1048035316.db2.gz YOGDTOQQLIZAEB-UHFFFAOYSA-N 0 0 313.582 4.134 20 10 DICDRN Cn1cc2cc(Nc3ccc4c(c3)C(C)(C)CCN4)ccc2n1 ZINC001160331815 1048036438 /nfs/dbraw/zinc/03/64/38/1048036438.db2.gz FCXMHLAWEPRMSN-UHFFFAOYSA-N 0 0 306.413 4.410 20 10 DICDRN Nc1ccc(Nc2cc(Br)cc(Cl)c2O)cc1 ZINC001160341471 1048038281 /nfs/dbraw/zinc/03/82/81/1048038281.db2.gz SMASFUUOYFDUCV-UHFFFAOYSA-N 0 0 313.582 4.134 20 10 DICDRN C[C@]12C[C@@H]3C[C@](C(=O)NCc4ccccc4O)(C1)C[C@@](C)(C3)C2 ZINC001184496246 1048041037 /nfs/dbraw/zinc/04/10/37/1048041037.db2.gz BDOLIPKKJCTAMM-UFUCFOROSA-N 0 0 313.441 4.005 20 10 DICDRN CC(C)=C(C)CC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC001160599290 1048070195 /nfs/dbraw/zinc/07/01/95/1048070195.db2.gz HWDOUEIJCZKAGL-UHFFFAOYSA-N 0 0 302.201 4.062 20 10 DICDRN CCN(CC)c1ccc(CNc2ccc3c(c2)OCO3)cc1F ZINC001199483792 1048072379 /nfs/dbraw/zinc/07/23/79/1048072379.db2.gz WEEBPEYMMGPMKZ-UHFFFAOYSA-N 0 0 316.376 4.013 20 10 DICDRN CCCN(CCC)c1ccc(CNCc2nccs2)cc1 ZINC001199564313 1048076952 /nfs/dbraw/zinc/07/69/52/1048076952.db2.gz ROXAWSDWBMYRPB-UHFFFAOYSA-N 0 0 303.475 4.059 20 10 DICDRN CCOc1ccc(NC/C=C\c2ccc(N(C)C)cc2)cc1F ZINC001199599649 1048079054 /nfs/dbraw/zinc/07/90/54/1048079054.db2.gz MMLAOTDXIMIBQG-WAYWQWQTSA-N 0 0 314.404 4.416 20 10 DICDRN Cc1cccc(CNc2nc(C(F)F)nc3ccccc32)c1O ZINC001160769246 1048079386 /nfs/dbraw/zinc/07/93/86/1048079386.db2.gz CLRBAUDMLVKXBG-UHFFFAOYSA-N 0 0 315.323 4.194 20 10 DICDRN Cc1cccc(CNc2nc(Cl)nc3ccc(F)cc32)c1O ZINC001160764092 1048079401 /nfs/dbraw/zinc/07/94/01/1048079401.db2.gz AXIXPNUVYKUYMN-UHFFFAOYSA-N 0 0 317.751 4.048 20 10 DICDRN Cc1ccc(-c2ccc(NCc3cccc(C)c3O)nn2)cc1 ZINC001160769519 1048081250 /nfs/dbraw/zinc/08/12/50/1048081250.db2.gz HMOOQFNEQOATTN-UHFFFAOYSA-N 0 0 305.381 4.078 20 10 DICDRN CC[C@H](C)c1nc2[nH]ccc2c(NCc2cccc(C)c2O)n1 ZINC001160770727 1048081383 /nfs/dbraw/zinc/08/13/83/1048081383.db2.gz CTQZAETVSOHJHK-NSHDSACASA-N 0 0 310.401 4.098 20 10 DICDRN Cc1cccc(CNc2cc3nc(Cl)cnc3cc2F)c1O ZINC001160769903 1048081937 /nfs/dbraw/zinc/08/19/37/1048081937.db2.gz MMNWRGAIRIYUFY-UHFFFAOYSA-N 0 0 317.751 4.048 20 10 DICDRN Cc1cc(C)c(CNc2ncc([N+](=O)[O-])c3ccccc32)c(O)c1 ZINC001160810253 1048085035 /nfs/dbraw/zinc/08/50/35/1048085035.db2.gz OASAUPYVPYAXJH-UHFFFAOYSA-N 0 0 323.352 4.078 20 10 DICDRN Cc1cc(C)c(CNc2nncc3cc(Cl)ccc32)c(O)c1 ZINC001160810112 1048085136 /nfs/dbraw/zinc/08/51/36/1048085136.db2.gz JPWHKEHFPOFVKZ-UHFFFAOYSA-N 0 0 313.788 4.218 20 10 DICDRN Cc1cc(C)c(CNc2nc3ccccc3nc2Cl)c(O)c1 ZINC001160810182 1048086294 /nfs/dbraw/zinc/08/62/94/1048086294.db2.gz MEUDKWQSXLMNJE-UHFFFAOYSA-N 0 0 313.788 4.218 20 10 DICDRN COc1ccc2cnc(NCc3c(C)cc(C)cc3O)cc2c1 ZINC001160811049 1048086867 /nfs/dbraw/zinc/08/68/67/1048086867.db2.gz ZSDHMPZXOHMYTR-UHFFFAOYSA-N 0 0 308.381 4.178 20 10 DICDRN Cc1cc(C)c(CNc2cc(-c3ccc(F)cc3)ncn2)c(O)c1 ZINC001160811225 1048086952 /nfs/dbraw/zinc/08/69/52/1048086952.db2.gz HMTGQBNCDIBBML-UHFFFAOYSA-N 0 0 323.371 4.217 20 10 DICDRN Cc1cc(C)c(CNc2cccc(OC(C)(C)C)n2)c(O)c1 ZINC001160810977 1048087261 /nfs/dbraw/zinc/08/72/61/1048087261.db2.gz YOEHBOPGIYUOKC-UHFFFAOYSA-N 0 0 300.402 4.193 20 10 DICDRN CC[C@@H](C)c1nc2[nH]ccc2c(NCc2c(C)cc(C)cc2O)n1 ZINC001160810978 1048087788 /nfs/dbraw/zinc/08/77/88/1048087788.db2.gz AYHKQFYBDQJSLZ-GFCCVEGCSA-N 0 0 324.428 4.406 20 10 DICDRN Cc1c[nH]c2nc(Cl)cc(NCc3c(C)cc(C)cc3O)c12 ZINC001160811014 1048088410 /nfs/dbraw/zinc/08/84/10/1048088410.db2.gz BQOQOMIUZIBBGV-UHFFFAOYSA-N 0 0 315.804 4.459 20 10 DICDRN C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])o1 ZINC000776024563 1048105844 /nfs/dbraw/zinc/10/58/44/1048105844.db2.gz RWPJPVDHQGMADY-TVQRCGJNSA-N 0 0 309.768 4.191 20 10 DICDRN C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1c(F)cccc1F ZINC000776028958 1048111223 /nfs/dbraw/zinc/11/12/23/1048111223.db2.gz FTVVQMDHVYPMLO-QMMMGPOBSA-N 0 0 315.722 4.314 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)C1CC(C)(C)C1 ZINC001161242267 1048117389 /nfs/dbraw/zinc/11/73/89/1048117389.db2.gz ADKICORGKZZDOH-UHFFFAOYSA-N 0 0 316.470 4.416 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000776043765 1048128547 /nfs/dbraw/zinc/12/85/47/1048128547.db2.gz WXMDPTBOXXPIKN-HNNXBMFYSA-N 0 0 321.779 4.188 20 10 DICDRN Nc1ccc(Cc2ccccc2Nc2cccc3[nH]cnc32)cc1 ZINC001213032630 1048129353 /nfs/dbraw/zinc/12/93/53/1048129353.db2.gz PVNYBDXROOQFSM-UHFFFAOYSA-N 0 0 314.392 4.480 20 10 DICDRN CC[C@@H](C)n1ncc(NCc2cccc(OC)c2O)c1C1CC1 ZINC000774823384 1048130925 /nfs/dbraw/zinc/13/09/25/1048130925.db2.gz JLXDIOFMOJLGHN-GFCCVEGCSA-N 0 0 315.417 4.058 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)Nc1cccc2cc[nH]c21 ZINC000776064410 1048136896 /nfs/dbraw/zinc/13/68/96/1048136896.db2.gz PVHQEBMUZMUBJU-UHFFFAOYSA-N 0 0 323.396 4.318 20 10 DICDRN CCOc1ccc(O)c(CNc2cccc(SC)c2C)c1 ZINC000774832227 1048137376 /nfs/dbraw/zinc/13/73/76/1048137376.db2.gz LDPUQMWUFWBFAT-UHFFFAOYSA-N 0 0 303.427 4.433 20 10 DICDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(C)cc2)c1[O-] ZINC000774842627 1048147173 /nfs/dbraw/zinc/14/71/73/1048147173.db2.gz BMWUUWXLGBOOQL-LBPRGKRZSA-N 0 0 317.816 4.407 20 10 DICDRN CCN(CC)c1ccc(CN[C@H](C)c2ncc(C)s2)cc1F ZINC001200941308 1048165309 /nfs/dbraw/zinc/16/53/09/1048165309.db2.gz DLWDQHUBTJDSTF-CYBMUJFWSA-N 0 0 321.465 4.288 20 10 DICDRN Cc1cc(NC(=S)Nc2cccc(N(C)C)c2)ccc1F ZINC001201038776 1048185018 /nfs/dbraw/zinc/18/50/18/1048185018.db2.gz CMCMCZQQPVDLFQ-UHFFFAOYSA-N 0 0 303.406 4.009 20 10 DICDRN Nc1ccc(N(CCO)c2ccc(-c3ccccc3)c(F)c2)cc1 ZINC001175208271 1048195676 /nfs/dbraw/zinc/19/56/76/1048195676.db2.gz SBLOQVSFARWSLX-UHFFFAOYSA-N 0 0 322.383 4.205 20 10 DICDRN CC[C@@H](C)CCC(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001185574549 1048199266 /nfs/dbraw/zinc/19/92/66/1048199266.db2.gz XAJDYADCGCLJBE-LLVKDONJSA-N 0 0 320.820 4.036 20 10 DICDRN CCc1ccccc1NC(=S)N[C@@H](C)c1ccccc1O ZINC001201153080 1048203961 /nfs/dbraw/zinc/20/39/61/1048203961.db2.gz JVCBOQHUEHFBDT-LBPRGKRZSA-N 0 0 300.427 4.002 20 10 DICDRN CCc1ccccc1NC(=S)NCc1cc2ccccc2cn1 ZINC001201152874 1048204193 /nfs/dbraw/zinc/20/41/93/1048204193.db2.gz XDLVGIFIRCNDGO-UHFFFAOYSA-N 0 0 321.449 4.284 20 10 DICDRN Cc1cc(-n2c(N)c(/N=N/c3ccccc3)ccc2=N)ccc1F ZINC001175250961 1048223078 /nfs/dbraw/zinc/22/30/78/1048223078.db2.gz GFYVEUHKBQYQAJ-UKLSTIIHSA-N 0 0 321.359 4.402 20 10 DICDRN CCCOc1c(F)c(F)c(Nc2ccc(N)cc2)c(F)c1F ZINC001201304226 1048233464 /nfs/dbraw/zinc/23/34/64/1048233464.db2.gz DGVAFRGJCKVKOM-UHFFFAOYSA-N 0 0 314.282 4.358 20 10 DICDRN CN(C)c1ccc(CN(c2nc(Cl)cs2)C2CC2)cc1 ZINC001162216620 1048244448 /nfs/dbraw/zinc/24/44/48/1048244448.db2.gz XEESVIIEBRSPOP-UHFFFAOYSA-N 0 0 307.850 4.032 20 10 DICDRN COc1ccc(N(c2ccc(N)cc2)C2=CCSCC2)cc1 ZINC001201342192 1048245444 /nfs/dbraw/zinc/24/54/44/1048245444.db2.gz JXFQYMIIHWQAEF-UHFFFAOYSA-N 0 0 312.438 4.436 20 10 DICDRN COc1ccccc1C(C)(C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776167680 1048266041 /nfs/dbraw/zinc/26/60/41/1048266041.db2.gz NGQLWKVIJNJPMU-UHFFFAOYSA-N 0 0 323.795 4.218 20 10 DICDRN CC(C)Nc1ccc(Nc2ccnc(Br)c2)cc1 ZINC001201487870 1048279883 /nfs/dbraw/zinc/27/98/83/1048279883.db2.gz LUTLCONBKLKRGE-UHFFFAOYSA-N 0 0 306.207 4.408 20 10 DICDRN COC(=O)c1c(Cl)nccc1Nc1ccc(NC(C)C)cc1 ZINC001201489820 1048281057 /nfs/dbraw/zinc/28/10/57/1048281057.db2.gz UVNDPIFNYKXORY-UHFFFAOYSA-N 0 0 319.792 4.086 20 10 DICDRN COCCOc1ccc(Nc2ccc(NC(C)C)cc2)cc1 ZINC001201497839 1048283882 /nfs/dbraw/zinc/28/38/82/1048283882.db2.gz KQPUMTGOAPRGRF-UHFFFAOYSA-N 0 0 300.402 4.276 20 10 DICDRN COC(=O)c1cccc(OC)c1Nc1ccc(NC(C)C)cc1 ZINC001201497865 1048284944 /nfs/dbraw/zinc/28/49/44/1048284944.db2.gz OBZDLBKHMOIAIM-UHFFFAOYSA-N 0 0 314.385 4.046 20 10 DICDRN Cc1cc(C(=O)N(C)C)ccc1Nc1ccc(NC(C)C)cc1 ZINC001201497442 1048285202 /nfs/dbraw/zinc/28/52/02/1048285202.db2.gz GYSKOEAIOLPFBE-UHFFFAOYSA-N 0 0 311.429 4.261 20 10 DICDRN CC(C)Nc1ccc(Nc2ccc3c(c2)C[C@H](C)C(=O)N3C)cc1 ZINC001201506480 1048290822 /nfs/dbraw/zinc/29/08/22/1048290822.db2.gz ZITZCASSZDHQCR-AWEZNQCLSA-N 0 0 323.440 4.406 20 10 DICDRN CC(C)Nc1ccc(Nc2cccc3c2CNC(=O)C3(C)C)cc1 ZINC001201505449 1048291873 /nfs/dbraw/zinc/29/18/73/1048291873.db2.gz NDJGCNDXDVCKJJ-UHFFFAOYSA-N 0 0 323.440 4.158 20 10 DICDRN CC(C)Nc1ccc(Nc2cccc3c2CN(C2CC2)C3=O)cc1 ZINC001201506306 1048292564 /nfs/dbraw/zinc/29/25/64/1048292564.db2.gz WZPBNOBOPBBBNP-UHFFFAOYSA-N 0 0 321.424 4.369 20 10 DICDRN C[C@H](NC(=O)N[C@@H](C)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC001186407559 1048297140 /nfs/dbraw/zinc/29/71/40/1048297140.db2.gz DPYGRCJROYJBMI-GJZGRUSLSA-N 0 0 317.477 4.082 20 10 DICDRN Nc1ccc(Nc2ccccc2C(=O)c2ccncc2)cc1Cl ZINC001212124280 1048307238 /nfs/dbraw/zinc/30/72/38/1048307238.db2.gz QLNNFIJHTNNOEO-UHFFFAOYSA-N 0 0 323.783 4.292 20 10 DICDRN CCn1cnc(/C=C(/Cl)c2nc3c(cccc3F)n2CC)c1 ZINC000899353778 1048308500 /nfs/dbraw/zinc/30/85/00/1048308500.db2.gz YYNOVGKEDMFXDT-XYOKQWHBSA-N 0 0 318.783 4.149 20 10 DICDRN CC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1c(C)noc1C ZINC001201529484 1048312725 /nfs/dbraw/zinc/31/27/25/1048312725.db2.gz PFEQTHQUWFBORP-CYBMUJFWSA-N 0 0 312.772 4.030 20 10 DICDRN C[S@](=O)c1ccc(N(c2ccccc2)c2ccc(N)cc2)cc1 ZINC001175485539 1048323186 /nfs/dbraw/zinc/32/31/86/1048323186.db2.gz XXPGSDFVSGTARJ-QHCPKHFHSA-N 0 0 322.433 4.476 20 10 DICDRN COc1cc(NCc2ccc(N3CCCCC3)cc2)ccc1F ZINC000323574789 1048369338 /nfs/dbraw/zinc/36/93/38/1048369338.db2.gz UEGLHYMEZPEUPH-UHFFFAOYSA-N 0 0 314.404 4.437 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CSc2ccccc21 ZINC000776208124 1048371560 /nfs/dbraw/zinc/37/15/60/1048371560.db2.gz XIPNMAZVKQDTQB-ZDUSSCGKSA-N 0 0 309.793 4.121 20 10 DICDRN Cc1cc(CN[C@H](CF)c2ccc(F)cc2)ccc1N(C)C ZINC001175561829 1048372180 /nfs/dbraw/zinc/37/21/80/1048372180.db2.gz ZALCGSKHAZJBFF-QGZVFWFLSA-N 0 0 304.384 4.001 20 10 DICDRN COc1ccc(N(c2ccc(N)cc2)c2ccc(CO)cc2)cc1 ZINC001175568454 1048373551 /nfs/dbraw/zinc/37/35/51/1048373551.db2.gz MRAGDZYFWZRJIV-UHFFFAOYSA-N 0 0 320.392 4.240 20 10 DICDRN CCN(Cc1ccccc1O)C(=O)Nc1ccccc1Cl ZINC001202062111 1048433736 /nfs/dbraw/zinc/43/37/36/1048433736.db2.gz DAQISJLWVXWILD-UHFFFAOYSA-N 0 0 304.777 4.100 20 10 DICDRN CC(C)CN(CC(C)C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776236954 1048444393 /nfs/dbraw/zinc/44/43/93/1048444393.db2.gz DFLIQMWGMQNVQW-INIZCTEOSA-N 0 0 319.493 4.137 20 10 DICDRN CCCn1nc(C)cc1N(c1ccc(N)cc1)c1ccc(N)cc1 ZINC001175806126 1048466646 /nfs/dbraw/zinc/46/66/46/1048466646.db2.gz RHQGBIVLXMURSJ-UHFFFAOYSA-N 0 0 321.428 4.236 20 10 DICDRN Cc1cccc(CNC(=O)Nc2ccccc2C(F)(F)F)c1O ZINC001202170353 1048470520 /nfs/dbraw/zinc/47/05/20/1048470520.db2.gz QMSDCAMGCNITML-UHFFFAOYSA-N 0 0 324.302 4.041 20 10 DICDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2Nc1cncc(Cl)n1 ZINC001163487386 1048477051 /nfs/dbraw/zinc/47/70/51/1048477051.db2.gz UGDQTQZVXREUAS-INIZCTEOSA-N 0 0 317.820 4.188 20 10 DICDRN Cc1cc(C)c(N[C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)nn1 ZINC001163487339 1048477272 /nfs/dbraw/zinc/47/72/72/1048477272.db2.gz SJVNHKHFIOGGCC-QGZVFWFLSA-N 0 0 311.429 4.151 20 10 DICDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2Nc1cncc(Cl)n1 ZINC001163487389 1048477557 /nfs/dbraw/zinc/47/75/57/1048477557.db2.gz UGDQTQZVXREUAS-MRXNPFEDSA-N 0 0 317.820 4.188 20 10 DICDRN CCc1nccc(N[C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)n1 ZINC001163486778 1048477772 /nfs/dbraw/zinc/47/77/72/1048477772.db2.gz KYLPQEJXKSVAEM-GOSISDBHSA-N 0 0 311.429 4.097 20 10 DICDRN CCN(Cc1ccccc1O)C(=O)Nc1cccc(Cl)c1 ZINC001202245525 1048503549 /nfs/dbraw/zinc/50/35/49/1048503549.db2.gz GSDKRWPOHQKTAJ-UHFFFAOYSA-N 0 0 304.777 4.100 20 10 DICDRN C[C@@H](NC(=O)Nc1cccc(Cl)c1F)c1ccccc1O ZINC001188417128 1048506460 /nfs/dbraw/zinc/50/64/60/1048506460.db2.gz YIBTYKUDWMBFFK-SECBINFHSA-N 0 0 308.740 4.067 20 10 DICDRN O=C(c1ccccc1)c1ccccc1Nc1cnn(C2CC2)c1 ZINC001175958433 1048506936 /nfs/dbraw/zinc/50/69/36/1048506936.db2.gz AMXNIBVRMQKAAJ-UHFFFAOYSA-N 0 0 303.365 4.193 20 10 DICDRN CCc1cc(Sc2ncc([N+](=O)[O-])s2)c(C)cc1OC ZINC001163868391 1048542404 /nfs/dbraw/zinc/54/24/04/1048542404.db2.gz YHKRYXVSRGRRJD-UHFFFAOYSA-N 0 0 310.400 4.082 20 10 DICDRN C[C@@H](NC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1O ZINC001202418084 1048546205 /nfs/dbraw/zinc/54/62/05/1048546205.db2.gz GWKQOWVEYLJQCB-SNVBAGLBSA-N 0 0 324.302 4.294 20 10 DICDRN O=C(c1ccccc1F)c1cc(Cl)ccc1Nc1[nH]cc[nH+]1 ZINC001176083069 1048546905 /nfs/dbraw/zinc/54/69/05/1048546905.db2.gz ZLRKJCNZONFAHP-UHFFFAOYSA-N 0 0 315.735 4.177 20 10 DICDRN Oc1ccccc1CN1CCn2c(cc3c2cccc3Cl)C1 ZINC000775203857 1048559794 /nfs/dbraw/zinc/55/97/94/1048559794.db2.gz IXNXILVICSVXEW-UHFFFAOYSA-N 0 0 312.800 4.016 20 10 DICDRN CCc1nc(C)c(CN(CC(C)C)c2ccc(OC)cc2)o1 ZINC000794414932 1048564414 /nfs/dbraw/zinc/56/44/14/1048564414.db2.gz UTKQJEFGMHTGJI-UHFFFAOYSA-N 0 0 302.418 4.217 20 10 DICDRN O=C(c1ccc(Cl)cc1)c1ccccc1NC1=CCOCC1 ZINC001176149295 1048564841 /nfs/dbraw/zinc/56/48/41/1048564841.db2.gz WASSIEPTCYWYNX-UHFFFAOYSA-N 0 0 313.784 4.287 20 10 DICDRN O=C(Nc1cccc2ccccc21)N1CCc2cccc(O)c2C1 ZINC001188931401 1048568981 /nfs/dbraw/zinc/56/89/81/1048568981.db2.gz IDZAENSDFSHXOA-UHFFFAOYSA-N 0 0 318.376 4.136 20 10 DICDRN COc1ccncc1N(Cc1ccccc1)c1ccc(N)cc1 ZINC001176124202 1048577129 /nfs/dbraw/zinc/57/71/29/1048577129.db2.gz KTEDWWWJVRDUIH-UHFFFAOYSA-N 0 0 305.381 4.011 20 10 DICDRN COc1ccc(C(=O)c2ccccc2Nc2c(C)noc2C)cc1 ZINC001176184684 1048586327 /nfs/dbraw/zinc/58/63/27/1048586327.db2.gz VXCFMMIXFNRXAE-UHFFFAOYSA-N 0 0 322.364 4.275 20 10 DICDRN Clc1cnc(SCc2nc(C3CCCC3)no2)s1 ZINC000850000524 1048609829 /nfs/dbraw/zinc/60/98/29/1048609829.db2.gz YCLIAPDJYQUQJY-UHFFFAOYSA-N 0 0 301.824 4.129 20 10 DICDRN COC(=O)c1ccc([C@H](C)Sc2ncc(Cl)s2)o1 ZINC000849999167 1048609988 /nfs/dbraw/zinc/60/99/88/1048609988.db2.gz OXYJFYFEAUWVEE-LURJTMIESA-N 0 0 303.792 4.029 20 10 DICDRN Oc1cccc(Cl)c1CNc1ccc(C(F)(F)F)nc1 ZINC000160068402 1048630160 /nfs/dbraw/zinc/63/01/60/1048630160.db2.gz RTECJZGAODWVQM-UHFFFAOYSA-N 0 0 302.683 4.072 20 10 DICDRN CCOc1cccc(CNc2cc(C)c(C)cc2OC)c1O ZINC000850354043 1048635492 /nfs/dbraw/zinc/63/54/92/1048635492.db2.gz TWEKDTBZJAABPV-UHFFFAOYSA-N 0 0 301.386 4.028 20 10 DICDRN COC(=O)c1ccc(CSc2ncc(Cl)s2)cc1F ZINC001189831347 1048670320 /nfs/dbraw/zinc/67/03/20/1048670320.db2.gz HGFNPLXOHHFGCT-UHFFFAOYSA-N 0 0 317.794 4.015 20 10 DICDRN CN(C)c1ccc(CNc2ccc3c(c2)[C@@H](O)CCCC3)cc1 ZINC000850362511 1048638255 /nfs/dbraw/zinc/63/82/55/1048638255.db2.gz KHVFVPGYCSQMEZ-FQEVSTJZSA-N 0 0 310.441 4.125 20 10 DICDRN CN(C)c1ccc(CNc2ccc3c(c2)[C@H](O)CCCC3)cc1 ZINC000850362512 1048638958 /nfs/dbraw/zinc/63/89/58/1048638958.db2.gz KHVFVPGYCSQMEZ-HXUWFJFHSA-N 0 0 310.441 4.125 20 10 DICDRN Cc1cc(O)c(CNc2ccc3c(c2)[C@@H](O)CCCC3)cc1C ZINC000850363378 1048640772 /nfs/dbraw/zinc/64/07/72/1048640772.db2.gz XUDHSHIPZSLNKS-IBGZPJMESA-N 0 0 311.425 4.381 20 10 DICDRN C[C@@]1(CC[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1(F)F ZINC000850380725 1048644972 /nfs/dbraw/zinc/64/49/72/1048644972.db2.gz KQQHHYWOUVQIFC-GFCCVEGCSA-N 0 0 310.171 4.224 20 10 DICDRN Nc1ccc(Nc2cccc3c2cnn3[C@H]2CCCCO2)cc1 ZINC001176314575 1048648249 /nfs/dbraw/zinc/64/82/49/1048648249.db2.gz AHNARUQYTVHCLP-GOSISDBHSA-N 0 0 308.385 4.061 20 10 DICDRN CC[C@H]([NH2+]C[C@H](C)c1ccccn1)c1cccc(Cl)c1[O-] ZINC000850480703 1048669480 /nfs/dbraw/zinc/66/94/80/1048669480.db2.gz CASNISSEUOVKDI-WFASDCNBSA-N 0 0 304.821 4.285 20 10 DICDRN O=C(CSc1ncc(Cl)s1)c1ccc(F)c(F)c1 ZINC001189830690 1048669973 /nfs/dbraw/zinc/66/99/73/1048669973.db2.gz CGBAAPGVLRSTNE-UHFFFAOYSA-N 0 0 305.758 4.050 20 10 DICDRN C[C@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])c1ccccn1 ZINC000850482026 1048671028 /nfs/dbraw/zinc/67/10/28/1048671028.db2.gz MAUOBOHQAORFPK-VXGBXAGGSA-N 0 0 324.346 4.260 20 10 DICDRN C[C@H]([NH2+][C@@H]1C=CCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000850506403 1048672529 /nfs/dbraw/zinc/67/25/29/1048672529.db2.gz AMZAQDGXRNXZNY-WCBMZHEXSA-N 0 0 316.626 4.177 20 10 DICDRN Cn1c(-c2ccccc2)cnc1SC[C@H]1CC2(CCC2)CO1 ZINC001165275586 1048672534 /nfs/dbraw/zinc/67/25/34/1048672534.db2.gz KDLYNZCRNWYPBR-OAHLLOKOSA-N 0 0 314.454 4.138 20 10 DICDRN Cc1ccncc1CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000850505794 1048673413 /nfs/dbraw/zinc/67/34/13/1048673413.db2.gz YJKLUXGZDQZBRF-LBPRGKRZSA-N 0 0 324.346 4.008 20 10 DICDRN C[C@@H]([NH2+]CCC(C)(C)F)c1cc(Br)cc(F)c1[O-] ZINC000850533074 1048684495 /nfs/dbraw/zinc/68/44/95/1048684495.db2.gz YPGYWFXAIWUTGU-MRVPVSSYSA-N 0 0 322.193 4.083 20 10 DICDRN C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000850536376 1048684934 /nfs/dbraw/zinc/68/49/34/1048684934.db2.gz JPDSWFCUTDFFCT-KRTXAFLBSA-N 0 0 310.171 4.395 20 10 DICDRN C[C@@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000850537474 1048686244 /nfs/dbraw/zinc/68/62/44/1048686244.db2.gz VRGVXBMBOFNFOW-RNCFNFMXSA-N 0 0 323.305 4.497 20 10 DICDRN C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000850536809 1048686918 /nfs/dbraw/zinc/68/69/18/1048686918.db2.gz NTKMBMXIMNVWFR-KRTXAFLBSA-N 0 0 310.171 4.395 20 10 DICDRN CCc1cccc(C)c1NC(=O)NCc1c(C)cc(C)cc1O ZINC001190004324 1048688903 /nfs/dbraw/zinc/68/89/03/1048688903.db2.gz CBSXJFHEISKLOK-UHFFFAOYSA-N 0 0 312.413 4.202 20 10 DICDRN C=C/C=C\CCNC(=O)c1sccc1-n1c(C)ccc1C ZINC001176457357 1048689890 /nfs/dbraw/zinc/68/98/90/1048689890.db2.gz PMFKCKLXIAFQTM-WAYWQWQTSA-N 0 0 300.427 4.018 20 10 DICDRN C[C@H]([NH2+]CC1SCCS1)c1ccc(Cl)c(Cl)c1[O-] ZINC000850561882 1048692287 /nfs/dbraw/zinc/69/22/87/1048692287.db2.gz VIQKOUNFFLMQEA-ZETCQYMHSA-N 0 0 324.298 4.156 20 10 DICDRN CCCCc1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001165499284 1048692348 /nfs/dbraw/zinc/69/23/48/1048692348.db2.gz YWWWSGOOWXYXBW-UHFFFAOYSA-N 0 0 317.816 4.318 20 10 DICDRN O=C(CC/C=C\c1ccccc1)NCc1cc(Cl)ccc1O ZINC001165498358 1048692882 /nfs/dbraw/zinc/69/28/82/1048692882.db2.gz MFIKTHJSYTYRDG-YWEYNIOJSA-N 0 0 315.800 4.155 20 10 DICDRN COc1cc(N[C@H](C)c2ccccc2O)ccc1OC(F)F ZINC000850562638 1048693080 /nfs/dbraw/zinc/69/30/80/1048693080.db2.gz VMPDSPRGJKKIEL-SNVBAGLBSA-N 0 0 309.312 4.175 20 10 DICDRN O=C(CCCCc1ccccc1)NCc1cc(Cl)ccc1O ZINC001165507193 1048693897 /nfs/dbraw/zinc/69/38/97/1048693897.db2.gz BSWKARSYWPBAFS-UHFFFAOYSA-N 0 0 317.816 4.075 20 10 DICDRN Oc1cccc2c1[C@@H](Nc1ccc(O[C@H]3CC3(F)F)cc1)CC2 ZINC000850564941 1048695002 /nfs/dbraw/zinc/69/50/02/1048695002.db2.gz YQCLNGZAWGQYJG-HOCLYGCPSA-N 0 0 317.335 4.278 20 10 DICDRN CC(C)c1cnc(CN[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775364378 1048700192 /nfs/dbraw/zinc/70/01/92/1048700192.db2.gz POXIYRZOWXIRCT-ZDUSSCGKSA-N 0 0 303.475 4.183 20 10 DICDRN CCCCCC[C@@](C)(CC)C(=O)NCc1cccc(O)c1O ZINC001176566281 1048726415 /nfs/dbraw/zinc/72/64/15/1048726415.db2.gz TZVLYXWPQIJUAU-GOSISDBHSA-N 0 0 307.434 4.101 20 10 DICDRN CC(=O)c1c(C)cc(C)c(C[N@H+](C)Cc2ccccc2O)c1C ZINC000109773284 1048742906 /nfs/dbraw/zinc/74/29/06/1048742906.db2.gz HYMTYPHJYGENCM-UHFFFAOYSA-N 0 0 311.425 4.152 20 10 DICDRN Cc1ccccc1NC(=O)CCSc1ncc(Cl)s1 ZINC001166586849 1048767037 /nfs/dbraw/zinc/76/70/37/1048767037.db2.gz JRRNPEOUVPRRQO-UHFFFAOYSA-N 0 0 312.847 4.226 20 10 DICDRN COC(=O)c1cc(F)ccc1CSc1ncc(Cl)s1 ZINC001166587245 1048766945 /nfs/dbraw/zinc/76/69/45/1048766945.db2.gz MYFUWBRVCAULAT-UHFFFAOYSA-N 0 0 317.794 4.015 20 10 DICDRN C[C@H](NC(=O)Nc1ccccc1Cl)c1ccc(N(C)C)cc1 ZINC000775410566 1048783695 /nfs/dbraw/zinc/78/36/95/1048783695.db2.gz UDCOQPRFJKTMRX-LBPRGKRZSA-N 0 0 317.820 4.289 20 10 DICDRN CC[C@H](C)[C@@H](C)[N@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C1CC1 ZINC001190913439 1048804012 /nfs/dbraw/zinc/80/40/12/1048804012.db2.gz KZTKIFXXRJXKFK-NWDGAFQWSA-N 0 0 307.409 4.133 20 10 DICDRN COc1ccc(N(Cc2cc(C3CC3)no2)C(C)C)cc1F ZINC000851836527 1048805902 /nfs/dbraw/zinc/80/59/02/1048805902.db2.gz UAOHHBOMWQHLGK-UHFFFAOYSA-N 0 0 304.365 4.115 20 10 DICDRN C[C@@H]1CCN1C(=O)c1cccc(N=Nc2ccc(N(C)C)cc2)c1 ZINC001190964926 1048808938 /nfs/dbraw/zinc/80/89/38/1048808938.db2.gz VYBMIFYNIBNGGD-CQSZACIVSA-N 0 0 322.412 4.402 20 10 DICDRN CCc1ccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775428517 1048819846 /nfs/dbraw/zinc/81/98/46/1048819846.db2.gz PVNAKFLTDZIZQP-AWEZNQCLSA-N 0 0 311.429 4.198 20 10 DICDRN C[C@H](NC(=O)N1C[C@H](C)CCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000773610327 1048820721 /nfs/dbraw/zinc/82/07/21/1048820721.db2.gz CUIIHNRYGXCVGR-OAGGEKHMSA-N 0 0 317.477 4.034 20 10 DICDRN Cc1cc(CN[C@H](C)c2cscn2)ccc1N1CCCCC1 ZINC000852417148 1048840377 /nfs/dbraw/zinc/84/03/77/1048840377.db2.gz QLBOIZYZQVDKFB-OAHLLOKOSA-N 0 0 315.486 4.293 20 10 DICDRN CCC1(CC)CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773619719 1048844334 /nfs/dbraw/zinc/84/43/34/1048844334.db2.gz ODRCDGDUTQYEGY-OAHLLOKOSA-N 0 0 317.477 4.035 20 10 DICDRN Cc1ccc(F)c(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775433627 1048845701 /nfs/dbraw/zinc/84/57/01/1048845701.db2.gz SQQBLVNIFNMPPK-CYBMUJFWSA-N 0 0 315.392 4.083 20 10 DICDRN Nc1ccc2nc(NCc3ccc(N4CCCC4)cc3)sc2c1 ZINC000853159842 1048885298 /nfs/dbraw/zinc/88/52/98/1048885298.db2.gz NXODHEOVHAMNOA-UHFFFAOYSA-N 0 0 324.453 4.091 20 10 DICDRN C[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000853240920 1048890232 /nfs/dbraw/zinc/89/02/32/1048890232.db2.gz OBICTZLXWUZIQT-MRVPVSSYSA-N 0 0 311.294 4.300 20 10 DICDRN CC(=O)c1ccnc(NCc2ccc(N3CCC(C)CC3)cc2)c1 ZINC000853300700 1048898421 /nfs/dbraw/zinc/89/84/21/1048898421.db2.gz ZEZMUTNGBUFKBB-UHFFFAOYSA-N 0 0 323.440 4.133 20 10 DICDRN CNc1ccc(N(Cc2ccccc2)c2ccc(N)cc2)cn1 ZINC001203459054 1048905114 /nfs/dbraw/zinc/90/51/14/1048905114.db2.gz WTPDOMUCBHHTNQ-UHFFFAOYSA-N 0 0 304.397 4.044 20 10 DICDRN CSCc1ccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000797101661 1048908679 /nfs/dbraw/zinc/90/86/79/1048908679.db2.gz WKSIOGSMZQXNGS-NSHDSACASA-N 0 0 323.408 4.384 20 10 DICDRN COc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC001177542880 1048912955 /nfs/dbraw/zinc/91/29/55/1048912955.db2.gz VSFVDUMFHCXOQQ-SNVBAGLBSA-N 0 0 309.768 4.044 20 10 DICDRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001177571435 1048918162 /nfs/dbraw/zinc/91/81/62/1048918162.db2.gz XDXPMDGJSLGGIL-JKIFEVAISA-N 0 0 320.433 4.098 20 10 DICDRN COc1cccc(C[N@@H+]2CCC[C@H]2c2cc(F)ccc2F)c1O ZINC001203595534 1048936980 /nfs/dbraw/zinc/93/69/80/1048936980.db2.gz HOUBDFKCHLIUMR-INIZCTEOSA-N 0 0 319.351 4.016 20 10 DICDRN COc1cccc(C[N@@H+]2CCCC[C@@H]2c2ccccc2F)c1O ZINC001203595956 1048937143 /nfs/dbraw/zinc/93/71/43/1048937143.db2.gz UKLFMGFDEZJBIP-QGZVFWFLSA-N 0 0 315.388 4.267 20 10 DICDRN CCn1cc(/C=C(/Cl)c2nc3cc(Cl)ccc3n2C)cn1 ZINC000111998982 1048946839 /nfs/dbraw/zinc/94/68/39/1048946839.db2.gz MRDZNCBACQGRMW-WUXMJOGZSA-N 0 0 321.211 4.180 20 10 DICDRN C[C@@H](O)C1(NC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000854173542 1048947904 /nfs/dbraw/zinc/94/79/04/1048947904.db2.gz NPEBNNSSTGKCSC-CYBMUJFWSA-N 0 0 324.384 4.137 20 10 DICDRN CC(C)CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C(C)(C)C ZINC001177874960 1048949434 /nfs/dbraw/zinc/94/94/34/1048949434.db2.gz CHCOJOSCGKQXGP-MRXNPFEDSA-N 0 0 308.422 4.241 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1cc(Cl)ccc1O ZINC000854227600 1048953782 /nfs/dbraw/zinc/95/37/82/1048953782.db2.gz WNVKORZBYCANPQ-DLBZAZTESA-N 0 0 316.832 4.356 20 10 DICDRN Cc1cc(CC(=O)N2CC[C@@H](C(C)C)C2)c(C)n1-c1ccccc1 ZINC001126985580 1048955342 /nfs/dbraw/zinc/95/53/42/1048955342.db2.gz IYJJFVBZUSSQHL-GOSISDBHSA-N 0 0 324.468 4.141 20 10 DICDRN CC[C@H]([NH2+]Cc1ccccc1COC)c1cc(Cl)ccc1O ZINC000775488451 1049003948 /nfs/dbraw/zinc/00/39/48/1049003948.db2.gz ULSNDYOQJWFYFF-KRWDZBQOSA-N 0 0 319.832 4.433 20 10 DICDRN CCN(C(=O)/C=C\c1scnc1C)c1ccccc1Cl ZINC000776770552 1049003883 /nfs/dbraw/zinc/00/38/83/1049003883.db2.gz ALKGKDIUDWHPQM-HJWRWDBZSA-N 0 0 306.818 4.171 20 10 DICDRN Oc1cccc(Cl)c1CNc1cccc(-c2ccon2)c1 ZINC001203810785 1049005330 /nfs/dbraw/zinc/00/53/30/1049005330.db2.gz WXARAERDANJORL-UHFFFAOYSA-N 0 0 300.745 4.313 20 10 DICDRN CC(=O)c1cc(F)cc(CN(CC2CC2)c2ccccc2)c1O ZINC001191821836 1049005909 /nfs/dbraw/zinc/00/59/09/1049005909.db2.gz RDNMPUCPZCDULP-UHFFFAOYSA-N 0 0 313.372 4.151 20 10 DICDRN CC[C@H]([NH2+][C@H](C)COc1ccc(F)cc1F)c1ccccc1O ZINC000775487458 1049009436 /nfs/dbraw/zinc/00/94/36/1049009436.db2.gz CAUCUXFEORXCDA-WBMJQRKESA-N 0 0 321.367 4.179 20 10 DICDRN Cc1ncsc1/C=C\C(=O)N(C)c1cccc(C(C)C)c1 ZINC000776797614 1049013379 /nfs/dbraw/zinc/01/33/79/1049013379.db2.gz JVHXDNXVVQCLBT-HJWRWDBZSA-N 0 0 300.427 4.251 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc(Cl)nc1)c1cc(Cl)ccc1O ZINC000775490664 1049013551 /nfs/dbraw/zinc/01/35/51/1049013551.db2.gz CZGNRBGAWCKKCW-ZDUSSCGKSA-N 0 0 311.212 4.335 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccc(N(CC)CC)cc1)c1ccccc1O ZINC000775490309 1049013582 /nfs/dbraw/zinc/01/35/82/1049013582.db2.gz BNCHSWWPXMIFHN-LJQANCHMSA-N 0 0 312.457 4.479 20 10 DICDRN CN(Cc1ccc(O)c(O)c1)Cc1cccc(Cl)c1Cl ZINC001203882671 1049020510 /nfs/dbraw/zinc/02/05/10/1049020510.db2.gz QBFAWNLFDVLISW-UHFFFAOYSA-N 0 0 312.196 4.037 20 10 DICDRN C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001178317064 1049020559 /nfs/dbraw/zinc/02/05/59/1049020559.db2.gz FNVKEDBZHWLXHH-PIGZYNQJSA-N 0 0 303.352 4.084 20 10 DICDRN CC[C@@H]([NH2+]C[C@H](O)CC(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775496686 1049030931 /nfs/dbraw/zinc/03/09/31/1049030931.db2.gz LOCRLYQATXVXNN-ZWNOBZJWSA-N 0 0 320.260 4.147 20 10 DICDRN CN(C)c1ccc(CN[C@H](c2ccco2)c2ccccc2)cc1F ZINC000113315575 1049031573 /nfs/dbraw/zinc/03/15/73/1049031573.db2.gz XFUISRHKWMOUHY-FQEVSTJZSA-N 0 0 324.399 4.364 20 10 DICDRN CC[C@H]([NH2+]C[C@H](O)CC(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775496681 1049031862 /nfs/dbraw/zinc/03/18/62/1049031862.db2.gz LOCRLYQATXVXNN-MFKMUULPSA-N 0 0 320.260 4.147 20 10 DICDRN CCN(CC)c1ccc(CN2CCC[C@H]2C(F)(F)F)cc1 ZINC001203940508 1049038275 /nfs/dbraw/zinc/03/82/75/1049038275.db2.gz OCSFJUMZILLXBO-HNNXBMFYSA-N 0 0 300.368 4.060 20 10 DICDRN COc1ccc(N(Cc2ccc(C(C)C)cc2)C[C@H](C)O)cc1 ZINC001192070778 1049038865 /nfs/dbraw/zinc/03/88/65/1049038865.db2.gz NIDHVWXKPTZEMU-INIZCTEOSA-N 0 0 313.441 4.206 20 10 DICDRN CC[C@H]([NH2+]C[C@H](OC)C(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775511641 1049058226 /nfs/dbraw/zinc/05/82/26/1049058226.db2.gz FZJYPIYVGSUWSN-STQMWFEESA-N 0 0 320.260 4.411 20 10 DICDRN CCC[C@](C)(O)C[NH2+][C@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775504110 1049045446 /nfs/dbraw/zinc/04/54/46/1049045446.db2.gz TWABYHXLZWBQEP-DOMZBBRYSA-N 0 0 320.260 4.291 20 10 DICDRN C/C=C(C)/C=C/C(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001178506733 1049046616 /nfs/dbraw/zinc/04/66/16/1049046616.db2.gz INGPSMHBWOXMNK-QKOOYNPASA-N 0 0 321.384 4.128 20 10 DICDRN CC[C@H]([NH2+]CC1(CCO)CCCC1)c1cc(Cl)ccc1O ZINC000775514396 1049061174 /nfs/dbraw/zinc/06/11/74/1049061174.db2.gz ZYJDTHFGRXPKMZ-HNNXBMFYSA-N 0 0 311.853 4.029 20 10 DICDRN CCCCCC[C@@H](C)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000773763670 1049073945 /nfs/dbraw/zinc/07/39/45/1049073945.db2.gz XVRRLRASSCUBFD-CABCVRRESA-N 0 0 321.461 4.142 20 10 DICDRN Cc1ncsc1/C=C\C(=O)N(C)c1ccc(C(C)C)cc1 ZINC000776870031 1049074110 /nfs/dbraw/zinc/07/41/10/1049074110.db2.gz RGCFJBRCXFUBDP-KTKRTIGZSA-N 0 0 300.427 4.251 20 10 DICDRN CN(Cc1ccc(N2CCCC2)cc1)Cc1cccc(F)c1F ZINC001204197690 1049110142 /nfs/dbraw/zinc/11/01/42/1049110142.db2.gz GUHAJECAYNHZCM-UHFFFAOYSA-N 0 0 316.395 4.197 20 10 DICDRN CC[C@@H](Nc1ccc(N2CCCCC2)cn1)c1ccccc1O ZINC000775533255 1049113551 /nfs/dbraw/zinc/11/35/51/1049113551.db2.gz GBKMUUWNJRCINA-QGZVFWFLSA-N 0 0 311.429 4.341 20 10 DICDRN CCC1(C(=O)n2c(=N)ccc(/N=N/c3ccccc3)c2N)CCC1 ZINC001179018348 1049117431 /nfs/dbraw/zinc/11/74/31/1049117431.db2.gz IWMPTZKIZOZWND-ZKOWVJSDSA-N 0 0 323.400 4.186 20 10 DICDRN C[C@@H]1CCCC[C@H]1CC(=O)NCc1c(O)ccc2ccccc21 ZINC001179029862 1049124941 /nfs/dbraw/zinc/12/49/41/1049124941.db2.gz UDWOWGMKCXHKKJ-ZBFHGGJFSA-N 0 0 311.425 4.378 20 10 DICDRN C[C@@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1ccc(Cl)cc1[O-] ZINC000857082181 1049127339 /nfs/dbraw/zinc/12/73/39/1049127339.db2.gz UEWLNHNQSHNEDS-RKDXNWHRSA-N 0 0 308.636 4.280 20 10 DICDRN O=C(NCc1c(O)ccc2ccccc21)c1cccc(C2CC2)c1 ZINC001179032573 1049125358 /nfs/dbraw/zinc/12/53/58/1049125358.db2.gz MLAHYCRBJIWKSV-UHFFFAOYSA-N 0 0 317.388 4.353 20 10 DICDRN C[C@H]1CCCC[C@H]1CC(=O)NCc1c(O)ccc2ccccc21 ZINC001179029861 1049125552 /nfs/dbraw/zinc/12/55/52/1049125552.db2.gz UDWOWGMKCXHKKJ-HOCLYGCPSA-N 0 0 311.425 4.378 20 10 DICDRN CCN(Cc1ccccc1F)Cc1cc(F)c(N(C)C)cc1F ZINC001204270882 1049126336 /nfs/dbraw/zinc/12/63/36/1049126336.db2.gz STNUQKMTZIBJGT-UHFFFAOYSA-N 0 0 322.374 4.192 20 10 DICDRN CCCC[C@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)C(C)C ZINC000857117121 1049128475 /nfs/dbraw/zinc/12/84/75/1049128475.db2.gz VXOIAOACQYIOIJ-ZFWWWQNUSA-N 0 0 307.434 4.040 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)/C=C(/C)c1cccs1 ZINC000857098162 1049129223 /nfs/dbraw/zinc/12/92/23/1049129223.db2.gz BCJCLHVKIIMHLX-OWBHPGMISA-N 0 0 315.438 4.296 20 10 DICDRN C[N@H+](Cc1ccc(Cl)c(F)c1)Cc1cc(F)cc(F)c1[O-] ZINC001204323803 1049142517 /nfs/dbraw/zinc/14/25/17/1049142517.db2.gz PAJNKKDIRGTYJB-UHFFFAOYSA-N 0 0 315.722 4.095 20 10 DICDRN CN(Cc1cnc(Cl)s1)Cc1ccc(N2CCCC2)cc1 ZINC001204321021 1049142670 /nfs/dbraw/zinc/14/26/70/1049142670.db2.gz CPVYMOCDVNRUMJ-UHFFFAOYSA-N 0 0 321.877 4.029 20 10 DICDRN CN(C)c1ccc(CN(C)C(=O)C[C@@H]2CCCC(C)(C)C2)cc1 ZINC000857433947 1049146614 /nfs/dbraw/zinc/14/66/14/1049146614.db2.gz UCOHSBYNNVPWDK-KRWDZBQOSA-N 0 0 316.489 4.318 20 10 DICDRN CN1CCCc2cc(CNC(=O)CC3CCCCCC3)ccc21 ZINC000857442712 1049149775 /nfs/dbraw/zinc/14/97/75/1049149775.db2.gz QAHIJKGUPBPTRK-UHFFFAOYSA-N 0 0 314.473 4.046 20 10 DICDRN CCCN(C)c1ccccc1NCc1ccc(N(C)C)c(F)c1 ZINC001179299655 1049150300 /nfs/dbraw/zinc/15/03/00/1049150300.db2.gz VWPYJKKKNCBOOH-UHFFFAOYSA-N 0 0 315.436 4.350 20 10 DICDRN Cc1cc(-c2nc([C@H]3C[C@H]3C)no2)c(C)n1-c1ccc(F)cc1 ZINC000904816053 1049152659 /nfs/dbraw/zinc/15/26/59/1049152659.db2.gz ILARPZIWCCEIKO-BMIGLBTASA-N 0 0 311.360 4.407 20 10 DICDRN COc1cc(C)cc(NCc2cc(Cl)cc(F)c2O)c1C ZINC001179325452 1049157878 /nfs/dbraw/zinc/15/78/78/1049157878.db2.gz ZPQDGJPJJSVBIG-UHFFFAOYSA-N 0 0 309.768 4.422 20 10 DICDRN Oc1c(F)cc(F)cc1CNc1ccc(F)c(C(F)(F)F)c1 ZINC001179497980 1049174549 /nfs/dbraw/zinc/17/45/49/1049174549.db2.gz SVMLTHOECFSPSC-UHFFFAOYSA-N 0 0 321.220 4.440 20 10 DICDRN Cc1sccc1C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001193378953 1049205869 /nfs/dbraw/zinc/20/58/69/1049205869.db2.gz LWGWLJREYOFJIH-UHFFFAOYSA-N 0 0 322.433 4.486 20 10 DICDRN Oc1c(F)cc(Cl)cc1CNc1cncc(C(F)(F)F)c1 ZINC001179811514 1049209906 /nfs/dbraw/zinc/20/99/06/1049209906.db2.gz XIRXVJQZRUMMOK-UHFFFAOYSA-N 0 0 320.673 4.211 20 10 DICDRN Cc1ccc([C@@H](C)[NH2+]Cc2cc(F)c(N(C)C)cc2F)s1 ZINC000858107227 1049217581 /nfs/dbraw/zinc/21/75/81/1049217581.db2.gz KECGRTGZEJLFEE-LLVKDONJSA-N 0 0 310.413 4.252 20 10 DICDRN C[C@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2F)[C@H]1c1ccccc1 ZINC001204679874 1049222461 /nfs/dbraw/zinc/22/24/61/1049222461.db2.gz BHTBGBMMVCIWHH-APPDUMDISA-N 0 0 305.780 4.378 20 10 DICDRN Cc1c(C(=O)N(C)C)cc(-c2ccccc2)n1-c1ccccc1 ZINC001193558913 1049231021 /nfs/dbraw/zinc/23/10/21/1049231021.db2.gz DZOCULFRLCEXJM-UHFFFAOYSA-N 0 0 304.393 4.155 20 10 DICDRN C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC001179937976 1049234445 /nfs/dbraw/zinc/23/44/45/1049234445.db2.gz REJMVIZGOOMWCN-APPDUMDISA-N 0 0 321.342 4.393 20 10 DICDRN CC(C)[C@H]1c2ccccc2CC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001179909734 1049238430 /nfs/dbraw/zinc/23/84/30/1049238430.db2.gz SXHFDIOXQJAFFN-IBGZPJMESA-N 0 0 317.379 4.426 20 10 DICDRN Cc1cc(O)c(CNc2ccc3c(c2)[C@H](C)CC(=O)N3C)cc1C ZINC000858311616 1049239929 /nfs/dbraw/zinc/23/99/29/1049239929.db2.gz LFFKRTMLZXFFJI-CQSZACIVSA-N 0 0 324.424 4.091 20 10 DICDRN CC[C@@H]([NH2+]Cc1cc(C)n(-c2ccccc2)c1C)c1cnn(C)c1 ZINC000858543466 1049271388 /nfs/dbraw/zinc/27/13/88/1049271388.db2.gz SSDRHWXSEUXNFQ-HXUWFJFHSA-N 0 0 322.456 4.069 20 10 DICDRN CCn1cc([C@@H](C)[NH2+]Cc2cc(C)n(-c3ccccc3)c2C)cn1 ZINC000858542541 1049272220 /nfs/dbraw/zinc/27/22/20/1049272220.db2.gz LROKACKZXQSKFY-MRXNPFEDSA-N 0 0 322.456 4.161 20 10 DICDRN CC[C@@H]([NH2+]Cc1cc(C)n(-c2ccccc2)c1C)c1nccn1C ZINC000858542216 1049272381 /nfs/dbraw/zinc/27/23/81/1049272381.db2.gz JKCKXTTYLOWUIG-LJQANCHMSA-N 0 0 322.456 4.069 20 10 DICDRN COCc1ccc(N[C@H](C)c2cc(C)ccc2O)cc1OC ZINC000858568825 1049276071 /nfs/dbraw/zinc/27/60/71/1049276071.db2.gz YCJBDOIOGPMHBK-CYBMUJFWSA-N 0 0 301.386 4.029 20 10 DICDRN CC[C@@H](Nc1ccc(COC)c(OC)c1)c1ccc(F)cc1O ZINC000858567257 1049276170 /nfs/dbraw/zinc/27/61/70/1049276170.db2.gz CMODBZZFSBYMJP-MRXNPFEDSA-N 0 0 319.376 4.250 20 10 DICDRN CC(C)c1ccc(Cl)c(C(=O)NCc2ccccc2O)c1 ZINC001193860519 1049277505 /nfs/dbraw/zinc/27/75/05/1049277505.db2.gz OQGPIPZUUXUXCM-UHFFFAOYSA-N 0 0 303.789 4.099 20 10 DICDRN COc1cc(C)cc(CNc2ccc(Br)cc2)c1O ZINC001180178104 1049295041 /nfs/dbraw/zinc/29/50/41/1049295041.db2.gz OWUPGGXRNWLWAL-UHFFFAOYSA-N 0 0 322.202 4.084 20 10 DICDRN Cc1ccccc1COC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000859114519 1049314760 /nfs/dbraw/zinc/31/47/60/1049314760.db2.gz HNTDMLRFPVPWLT-OAHLLOKOSA-N 0 0 312.413 4.048 20 10 DICDRN COc1ccc2c(c1)CCN2CCCCCOc1ccccc1 ZINC001204931158 1049316035 /nfs/dbraw/zinc/31/60/35/1049316035.db2.gz SDELVJRAGZNNNG-UHFFFAOYSA-N 0 0 311.425 4.307 20 10 DICDRN CC[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001180262557 1049324846 /nfs/dbraw/zinc/32/48/46/1049324846.db2.gz ZBWVTCSOLRCGBT-CYBMUJFWSA-N 0 0 309.381 4.241 20 10 DICDRN COc1ccc2c(c1)CCN2C/C=C\c1ccc(F)c(F)c1 ZINC001180296426 1049337106 /nfs/dbraw/zinc/33/71/06/1049337106.db2.gz GTKNKXAIGRBFAS-IHWYPQMZSA-N 0 0 301.336 4.049 20 10 DICDRN Cc1cc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)ccc1F ZINC000775601429 1049338521 /nfs/dbraw/zinc/33/85/21/1049338521.db2.gz UDSUUTRMWQTQAV-CYBMUJFWSA-N 0 0 315.392 4.083 20 10 DICDRN COc1cc(C)cc(CN[C@H](CC(C)(C)C)C(F)(F)F)c1O ZINC001180344437 1049338535 /nfs/dbraw/zinc/33/85/35/1049338535.db2.gz JRIJLAYVZPGULO-CYBMUJFWSA-N 0 0 319.367 4.166 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)C2CCCCC2)cc1 ZINC000026955650 1049344410 /nfs/dbraw/zinc/34/44/10/1049344410.db2.gz HFXLIHAATWYZOT-UHFFFAOYSA-N 0 0 310.441 4.499 20 10 DICDRN Nc1ccc(NC(=O)NCCCCCCc2ccccc2)cc1 ZINC000859696566 1049345909 /nfs/dbraw/zinc/34/59/09/1049345909.db2.gz LPFCKDLJLDZYMT-UHFFFAOYSA-N 0 0 311.429 4.193 20 10 DICDRN CC[C@H](C)[C@H](C(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000116975249 1049356408 /nfs/dbraw/zinc/35/64/08/1049356408.db2.gz QYWKDGRCSRJLAE-KXBFYZLASA-N 0 0 311.425 4.181 20 10 DICDRN CC[C@H](C)c1ccc(C(=O)NCc2cccc(Cl)c2O)cc1 ZINC001180409601 1049359517 /nfs/dbraw/zinc/35/95/17/1049359517.db2.gz DXCYGNBINWDAKZ-LBPRGKRZSA-N 0 0 317.816 4.489 20 10 DICDRN CCc1ccc(CN(C)Cc2cc(F)c(N(C)C)cc2F)cc1 ZINC001205148919 1049394300 /nfs/dbraw/zinc/39/43/00/1049394300.db2.gz OJIQKIKOMNZJOB-UHFFFAOYSA-N 0 0 318.411 4.225 20 10 DICDRN Cc1cc(CN2CCCc3cc(OC(F)F)ccc32)c(C)o1 ZINC001180655029 1049394803 /nfs/dbraw/zinc/39/48/03/1049394803.db2.gz SMZRIYDAYQQIIH-UHFFFAOYSA-N 0 0 307.340 4.451 20 10 DICDRN CCOc1ccc(CN2CCCc3cc(OC)ccc32)c(C)c1 ZINC001180715810 1049397050 /nfs/dbraw/zinc/39/70/50/1049397050.db2.gz HSCCAKRRXILVRZ-UHFFFAOYSA-N 0 0 311.425 4.355 20 10 DICDRN Cc1ccc([C@H]2CC[N@H+](Cc3cc(Cl)c(F)cc3[O-])C2)cc1 ZINC001180821483 1049408276 /nfs/dbraw/zinc/40/82/76/1049408276.db2.gz ZQTTVWDIHACBEB-AWEZNQCLSA-N 0 0 319.807 4.483 20 10 DICDRN Cc1cc(C)c(CNC(=O)Oc2ccc3ccccc3c2)c(O)c1 ZINC001194673792 1049410763 /nfs/dbraw/zinc/41/07/63/1049410763.db2.gz RUNNBUGIRIFQDI-UHFFFAOYSA-N 0 0 321.376 4.451 20 10 DICDRN COCc1csc(CN(C)c2ccc(OC(C)C)cc2)c1 ZINC001180873185 1049414078 /nfs/dbraw/zinc/41/40/78/1049414078.db2.gz NXDZYGVIZZJPTI-UHFFFAOYSA-N 0 0 305.443 4.318 20 10 DICDRN Cc1nc([C@H]2CCCN2Cc2cc(Cl)c(C)cc2O)cs1 ZINC001181007352 1049426043 /nfs/dbraw/zinc/42/60/43/1049426043.db2.gz HPWXMPBFMTTWSZ-OAHLLOKOSA-N 0 0 322.861 4.456 20 10 DICDRN C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001205291696 1049429359 /nfs/dbraw/zinc/42/93/59/1049429359.db2.gz OQDYGOASGPDUAZ-LRDDRELGSA-N 0 0 302.805 4.024 20 10 DICDRN CCCc1cccc(/C=C2/SC(=S)N(C3CC3)C2=O)c1 ZINC000773896445 1049433119 /nfs/dbraw/zinc/43/31/19/1049433119.db2.gz FPOCYCHUXCELIN-GXDHUFHOSA-N 0 0 303.452 4.003 20 10 DICDRN CCN1CCN(C/C=C\c2ccc(N(C)C)cc2)c2ccccc21 ZINC001205341135 1049443762 /nfs/dbraw/zinc/44/37/62/1049443762.db2.gz VWNAQCVJFVAUSE-FPLPWBNLSA-N 0 0 321.468 4.112 20 10 DICDRN CCC(CC)(C(=O)N1CCc2cccc(O)c2C1)c1ccccc1 ZINC001181148134 1049448420 /nfs/dbraw/zinc/44/84/20/1049448420.db2.gz AWEQXSHIPPMEDY-UHFFFAOYSA-N 0 0 323.436 4.035 20 10 DICDRN COc1ccc(N(C)Cc2cc(Cl)cc3c2OCC3)cc1F ZINC001205360309 1049450590 /nfs/dbraw/zinc/45/05/90/1049450590.db2.gz SFSZWOXSPUKJEP-UHFFFAOYSA-N 0 0 321.779 4.059 20 10 DICDRN COc1ccc(N[C@@H](C)c2ccc(N3CCCCC3)cc2)nc1 ZINC000777201257 1049454051 /nfs/dbraw/zinc/45/40/51/1049454051.db2.gz NMTZZUZBOIGRBT-HNNXBMFYSA-N 0 0 311.429 4.254 20 10 DICDRN CCn1nccc1CN(C)c1ccc(OCc2ccccc2)cc1 ZINC001205425755 1049467885 /nfs/dbraw/zinc/46/78/85/1049467885.db2.gz FTXBLMGYAHGXAB-UHFFFAOYSA-N 0 0 321.424 4.118 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccccc1CC ZINC000118794098 1049477583 /nfs/dbraw/zinc/47/75/83/1049477583.db2.gz MDSKDWXFJBHNKC-UHFFFAOYSA-N 0 0 312.413 4.399 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)Nc1cccc2[nH]ccc21 ZINC000118815586 1049480183 /nfs/dbraw/zinc/48/01/83/1049480183.db2.gz WCDJJQXJFCVPOO-UHFFFAOYSA-N 0 0 323.396 4.318 20 10 DICDRN C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC001181465143 1049480787 /nfs/dbraw/zinc/48/07/87/1049480787.db2.gz UYHVYGZYEXXMII-GYSYKLTISA-N 0 0 312.251 4.069 20 10 DICDRN C[C@@H]1CN(Cc2cccc(Cl)c2O)c2cc(Cl)ccc2O1 ZINC001205486676 1049483044 /nfs/dbraw/zinc/48/30/44/1049483044.db2.gz QRKGHFZYDPNDLO-SNVBAGLBSA-N 0 0 324.207 4.487 20 10 DICDRN CCc1ccc([C@@H]2CCC[N@H+](Cc3cccc(F)c3[O-])C2)cc1 ZINC001181577918 1049491755 /nfs/dbraw/zinc/49/17/55/1049491755.db2.gz WFHTXDNPYFIZCQ-QGZVFWFLSA-N 0 0 313.416 4.473 20 10 DICDRN COC(=O)Nc1cccc(NCc2ccc(Cl)cc2O)c1C ZINC001205567876 1049499597 /nfs/dbraw/zinc/49/95/97/1049499597.db2.gz FBVDAWKIPQEWRP-UHFFFAOYSA-N 0 0 320.776 4.144 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000862539048 1049500821 /nfs/dbraw/zinc/50/08/21/1049500821.db2.gz JABXZNPUGSXOCS-HNNXBMFYSA-N 0 0 308.208 4.476 20 10 DICDRN O=C(Nc1ccc[nH]1)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195262883 1049504543 /nfs/dbraw/zinc/50/45/43/1049504543.db2.gz SOFTVQADAZUVQN-QZQOTICOSA-N 0 0 306.325 4.388 20 10 DICDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@@H](OC)C1CCC1 ZINC001195321864 1049508849 /nfs/dbraw/zinc/50/88/49/1049508849.db2.gz BGMYYQOERVCSIS-FXAWDEMLSA-N 0 0 317.473 4.145 20 10 DICDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2CCOCC(C)C ZINC001195324045 1049508985 /nfs/dbraw/zinc/50/89/85/1049508985.db2.gz NQWMKQJPNASUDQ-QGZVFWFLSA-N 0 0 305.462 4.003 20 10 DICDRN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCc2ccccc21 ZINC000775648514 1049510848 /nfs/dbraw/zinc/51/08/48/1049510848.db2.gz VTVPXNZSADRTRU-MRXNPFEDSA-N 0 0 305.780 4.304 20 10 DICDRN CC[C@H]([NH2+]Cc1cc(-c2ccccc2)on1)c1ccccc1O ZINC000155557501 1049514940 /nfs/dbraw/zinc/51/49/40/1049514940.db2.gz QWTPJFXNTKXMSC-KRWDZBQOSA-N 0 0 308.381 4.288 20 10 DICDRN Cc1c(F)cccc1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775653963 1049519381 /nfs/dbraw/zinc/51/93/81/1049519381.db2.gz HWSDBPRLTUMIET-CYBMUJFWSA-N 0 0 315.392 4.083 20 10 DICDRN C[C@H]1c2ccccc2OCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000775657636 1049534939 /nfs/dbraw/zinc/53/49/39/1049534939.db2.gz DKYZJMLEAYXDLC-LBPRGKRZSA-N 0 0 303.789 4.001 20 10 DICDRN CCc1nc(CN(C)Cc2cc(Cl)cc(C)c2O)cs1 ZINC000775664693 1049542903 /nfs/dbraw/zinc/54/29/03/1049542903.db2.gz URDZPMQURPRMQD-UHFFFAOYSA-N 0 0 310.850 4.005 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC12CCCCC2 ZINC001181907997 1049544686 /nfs/dbraw/zinc/54/46/86/1049544686.db2.gz GJCPMJHCUCCXMH-GOSISDBHSA-N 0 0 314.473 4.072 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC12CCCCC2 ZINC001181907998 1049545576 /nfs/dbraw/zinc/54/55/76/1049545576.db2.gz GJCPMJHCUCCXMH-SFHVURJKSA-N 0 0 314.473 4.072 20 10 DICDRN CC(C)c1ccc(O)c(CNc2ccc(F)c([C@@H](C)O)c2)c1 ZINC001205734710 1049547705 /nfs/dbraw/zinc/54/77/05/1049547705.db2.gz DTZWSJVQKJLGEE-GFCCVEGCSA-N 0 0 303.377 4.320 20 10 DICDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(C2CCC2)c1 ZINC000794510969 1049556531 /nfs/dbraw/zinc/55/65/31/1049556531.db2.gz OCZLXROYJRVVGG-CSKARUKUSA-N 0 0 309.365 4.017 20 10 DICDRN Cc1cnc(OC(C)C)c(NCc2cccc(Cl)c2O)c1 ZINC001181971270 1049558981 /nfs/dbraw/zinc/55/89/81/1049558981.db2.gz JZKBRQSUDIZBNP-UHFFFAOYSA-N 0 0 306.793 4.148 20 10 DICDRN Cc1ccc(C(C)(C)C[NH2+]Cc2cccc(F)c2[O-])c(C)c1 ZINC001182043628 1049563447 /nfs/dbraw/zinc/56/34/47/1049563447.db2.gz NDXMJXHKPPVSIU-UHFFFAOYSA-N 0 0 301.405 4.216 20 10 DICDRN O=[N+]([O-])c1ccsc1NCc1ccc(N2CCCCC2)cc1 ZINC000775669690 1049566511 /nfs/dbraw/zinc/56/65/11/1049566511.db2.gz DILCNUHPUBNCHO-UHFFFAOYSA-N 0 0 317.414 4.259 20 10 DICDRN CN(Cc1csc(C2CCCCC2)n1)c1ccc(N)cc1 ZINC000863558720 1049572774 /nfs/dbraw/zinc/57/27/74/1049572774.db2.gz UQVADLOWBQCHHR-UHFFFAOYSA-N 0 0 301.459 4.409 20 10 DICDRN COc1ccc(N(C)Cc2ccc(SC)c(OC)c2)cc1 ZINC001195819188 1049574325 /nfs/dbraw/zinc/57/43/25/1049574325.db2.gz UPYRTTZHTLWMSF-UHFFFAOYSA-N 0 0 303.427 4.062 20 10 DICDRN Nc1ccc(Cc2noc([C@@H]3CC[C@@H]3c3ccc(F)cc3)n2)cc1 ZINC000863656328 1049584056 /nfs/dbraw/zinc/58/40/56/1049584056.db2.gz OIZKPNRMVOZNFO-IAGOWNOFSA-N 0 0 323.371 4.043 20 10 DICDRN CCO[C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001182195898 1049587825 /nfs/dbraw/zinc/58/78/25/1049587825.db2.gz JYXWMJZQTNWTPA-STQMWFEESA-N 0 0 318.244 4.136 20 10 DICDRN FC(F)(F)[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204327495 1049595602 /nfs/dbraw/zinc/59/56/02/1049595602.db2.gz VYKHZBLXUPYRMI-OAHLLOKOSA-N 0 0 312.379 4.061 20 10 DICDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC001205907574 1049596365 /nfs/dbraw/zinc/59/63/65/1049596365.db2.gz JVADIRHSIMQUKO-HNNXBMFYSA-N 0 0 301.817 4.425 20 10 DICDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000775682467 1049603196 /nfs/dbraw/zinc/60/31/96/1049603196.db2.gz XYPQFAAZCSWGHP-CYBMUJFWSA-N 0 0 305.780 4.174 20 10 DICDRN CCN(Cc1ccc(OC)c(C)c1)c1ccc(OC)c(OC)c1 ZINC000864001992 1049612106 /nfs/dbraw/zinc/61/21/06/1049612106.db2.gz ZWLAZLRHOHNUFV-UHFFFAOYSA-N 0 0 315.413 4.047 20 10 DICDRN CS(C)(=O)=Nc1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000864013271 1049617725 /nfs/dbraw/zinc/61/77/25/1049617725.db2.gz NXLWKWDFUXRGKT-UHFFFAOYSA-N 0 0 324.833 4.017 20 10 DICDRN CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774186003 1049618939 /nfs/dbraw/zinc/61/89/39/1049618939.db2.gz WQXKAKPOIMXVMC-FEUHOPSXSA-N 0 0 320.260 4.147 20 10 DICDRN CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774186011 1049619626 /nfs/dbraw/zinc/61/96/26/1049619626.db2.gz WQXKAKPOIMXVMC-YHAQOWFVSA-N 0 0 320.260 4.147 20 10 DICDRN COc1nccc2c(NCc3cc(Cl)ccc3O)cccc21 ZINC000864013956 1049619549 /nfs/dbraw/zinc/61/95/49/1049619549.db2.gz GZMJVQIERIAMBI-UHFFFAOYSA-N 0 0 314.772 4.215 20 10 DICDRN CSC(C)(C)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774199840 1049621107 /nfs/dbraw/zinc/62/11/07/1049621107.db2.gz DBHCXALRHVWSER-QMMMGPOBSA-N 0 0 308.274 4.491 20 10 DICDRN CSCC[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774204385 1049623982 /nfs/dbraw/zinc/62/39/82/1049623982.db2.gz ZJQKDOFJTCXDIY-BDAKNGLRSA-N 0 0 308.274 4.491 20 10 DICDRN CSCC[C@H](C)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774204394 1049624211 /nfs/dbraw/zinc/62/42/11/1049624211.db2.gz ZJQKDOFJTCXDIY-IUCAKERBSA-N 0 0 308.274 4.491 20 10 DICDRN CC[NH+](CC)Cc1cccc(NCc2ccc(F)c(F)c2[O-])c1 ZINC000864019426 1049625280 /nfs/dbraw/zinc/62/52/80/1049625280.db2.gz APEQIIURAUQHGY-UHFFFAOYSA-N 0 0 320.383 4.124 20 10 DICDRN C[C@@H]([NH2+]CC1CCSCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774184180 1049628912 /nfs/dbraw/zinc/62/89/12/1049628912.db2.gz ATOJAXHHQJOYRP-SECBINFHSA-N 0 0 320.285 4.493 20 10 DICDRN CC(F)(F)c1ccc(C[NH2+]Cc2cc(F)c(F)cc2[O-])cc1 ZINC001206016328 1049629704 /nfs/dbraw/zinc/62/97/04/1049629704.db2.gz PQFRVGOCJPPVLN-UHFFFAOYSA-N 0 0 313.294 4.072 20 10 DICDRN C[C@@H]([NH2+]C[C@H]1CCCS1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774223308 1049633434 /nfs/dbraw/zinc/63/34/34/1049633434.db2.gz JHQVAYWXOCBSFO-RKDXNWHRSA-N 0 0 306.258 4.245 20 10 DICDRN CC(C)Nc1ccccc1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000864041168 1049633973 /nfs/dbraw/zinc/63/39/73/1049633973.db2.gz KWLBPCDLVZVCND-UHFFFAOYSA-N 0 0 303.337 4.166 20 10 DICDRN CCN(CC)c1ccc(CNc2ccc3oc(CO)cc3c2)cc1 ZINC000864040679 1049634550 /nfs/dbraw/zinc/63/45/50/1049634550.db2.gz FNYQCVHLQMQMSR-UHFFFAOYSA-N 0 0 324.424 4.383 20 10 DICDRN C[C@H]([NH2+][C@H](CO)CC(C)(C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774263721 1049638277 /nfs/dbraw/zinc/63/82/77/1049638277.db2.gz CZNDGPIMPYWHOZ-UWVGGRQHSA-N 0 0 320.260 4.147 20 10 DICDRN CC[C@H]([NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-])[C@@H]1CCCO1 ZINC000774265229 1049639918 /nfs/dbraw/zinc/63/99/18/1049639918.db2.gz JARORGVBOLVSHT-DVJZZOLTSA-N 0 0 318.244 4.307 20 10 DICDRN Cc1cccc(NC(=S)NCc2cc3ccccc3cn2)c1C ZINC001196433430 1049651368 /nfs/dbraw/zinc/65/13/68/1049651368.db2.gz VHJYDUVGQMKEGG-UHFFFAOYSA-N 0 0 321.449 4.338 20 10 DICDRN Cc1cccc(NC(=S)N[C@@H](C)c2ccccc2O)c1C ZINC001196434040 1049652007 /nfs/dbraw/zinc/65/20/07/1049652007.db2.gz HCOSFZMEUUJVGP-ZDUSSCGKSA-N 0 0 300.427 4.057 20 10 DICDRN CCN(Cc1cc(C(C)(C)C)cc(O)c1O)[C@H](C)C(F)(F)F ZINC000794676876 1049653158 /nfs/dbraw/zinc/65/31/58/1049653158.db2.gz FHRYKBLRZNHRSO-SNVBAGLBSA-N 0 0 319.367 4.168 20 10 DICDRN CCC[N@H+](Cc1cccc(Cl)c1[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000775715970 1049655960 /nfs/dbraw/zinc/65/59/60/1049655960.db2.gz NGRJJBHGIZJJHL-KBRIMQKVSA-N 0 0 323.864 4.071 20 10 DICDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@]1(C)CCCCO1 ZINC001182471397 1049674116 /nfs/dbraw/zinc/67/41/16/1049674116.db2.gz WIHGVIJGOXPOMO-XLIONFOSSA-N 0 0 317.473 4.289 20 10 DICDRN [O-]c1c(F)cccc1C[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC001206216555 1049683727 /nfs/dbraw/zinc/68/37/27/1049683727.db2.gz YWONBMMFESRSOZ-UHFFFAOYSA-N 0 0 319.807 4.297 20 10 DICDRN Cc1ccc(C[N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])cc1C ZINC001206288669 1049699692 /nfs/dbraw/zinc/69/96/92/1049699692.db2.gz WSLZSGANDGVNFC-UHFFFAOYSA-N 0 0 307.796 4.434 20 10 DICDRN CN(C)c1ccc(CN(C)Cc2coc(-c3ccccc3)n2)cc1 ZINC000102695394 1049703262 /nfs/dbraw/zinc/70/32/62/1049703262.db2.gz BODSJUIWIZCUCW-UHFFFAOYSA-N 0 0 321.424 4.040 20 10 DICDRN CC[C@@H](OCC[NH2+]Cc1cccc(Cl)c1[O-])c1ccccc1 ZINC001182734633 1049707946 /nfs/dbraw/zinc/70/79/46/1049707946.db2.gz YBBBHYBFJUERBT-QGZVFWFLSA-N 0 0 319.832 4.303 20 10 DICDRN Oc1c(Cl)cccc1CNc1ccc(OCC(F)F)cc1 ZINC000775749974 1049709143 /nfs/dbraw/zinc/70/91/43/1049709143.db2.gz WCUWRMMCZMLYDL-UHFFFAOYSA-N 0 0 313.731 4.302 20 10 DICDRN CCN(C)c1ccc(CN[C@@H](CF)c2ccc(F)cc2)cc1 ZINC001197136045 1049720212 /nfs/dbraw/zinc/72/02/12/1049720212.db2.gz VOCSTWUOKJMBGC-SFHVURJKSA-N 0 0 304.384 4.082 20 10 DICDRN Cc1c(NCc2cc(Cl)cc(F)c2O)cccc1N(C)C ZINC000775761610 1049728191 /nfs/dbraw/zinc/72/81/91/1049728191.db2.gz CETUFCGUKNSNME-UHFFFAOYSA-N 0 0 308.784 4.171 20 10 DICDRN COc1ccc(N(C)Cc2ccc(C)c(Cl)c2)cc1OC ZINC001206464021 1049737670 /nfs/dbraw/zinc/73/76/70/1049737670.db2.gz ORADETDHXXULMF-UHFFFAOYSA-N 0 0 305.805 4.302 20 10 DICDRN CC[C@H]1CN(Cc2cc(F)ccc2O)c2cccc(Cl)c2O1 ZINC001206514433 1049748327 /nfs/dbraw/zinc/74/83/27/1049748327.db2.gz UQAJTNOMYUZPNX-ZDUSSCGKSA-N 0 0 321.779 4.362 20 10 DICDRN CCC(CC)CC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000150800563 1049762664 /nfs/dbraw/zinc/76/26/64/1049762664.db2.gz PCLZISYFQLREBH-UHFFFAOYSA-N 0 0 315.413 4.340 20 10 DICDRN CN(C)c1ccc(/C=C/C[NH+]2CCC(c3ccco3)CC2)cc1 ZINC001206598266 1049766441 /nfs/dbraw/zinc/76/64/41/1049766441.db2.gz POEZCSKULFYTJI-HWKANZROSA-N 0 0 310.441 4.238 20 10 DICDRN COc1cccc(CNc2ccccc2OC(C)(C)C)c1O ZINC000150881412 1049776359 /nfs/dbraw/zinc/77/63/59/1049776359.db2.gz TVTUUQBJEHIAAY-UHFFFAOYSA-N 0 0 301.386 4.190 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC000843820299 1049778167 /nfs/dbraw/zinc/77/81/67/1049778167.db2.gz QRQAEVVSHUVPSH-MRXNPFEDSA-N 0 0 301.430 4.267 20 10 DICDRN C[N@H+](Cc1c(O)ccc2ccncc21)[C@H]1CCc2ccccc21 ZINC000029314405 1049824171 /nfs/dbraw/zinc/82/41/71/1049824171.db2.gz INCHQPUCRILCFP-IBGZPJMESA-N 0 0 304.393 4.060 20 10 DICDRN Cc1cc(C(=O)Nc2cccnc2)c(C)n1-c1ccccc1C ZINC000913004954 1049824932 /nfs/dbraw/zinc/82/49/32/1049824932.db2.gz CGHBUVPRTJGTCU-UHFFFAOYSA-N 0 0 305.381 4.050 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1c2ccccc2CC[C@@H]1F ZINC001207283833 1049874213 /nfs/dbraw/zinc/87/42/13/1049874213.db2.gz PWTGXJGOMHFEEG-WMLDXEAASA-N 0 0 323.770 4.300 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1c2ccccc2CC[C@H]1F ZINC001207283831 1049874761 /nfs/dbraw/zinc/87/47/61/1049874761.db2.gz PWTGXJGOMHFEEG-PBHICJAKSA-N 0 0 323.770 4.300 20 10 DICDRN FCCCSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000151377157 1049875380 /nfs/dbraw/zinc/87/53/80/1049875380.db2.gz OSKLCKVQTRYESB-HNNXBMFYSA-N 0 0 320.433 4.181 20 10 DICDRN CC(C)(C)Oc1cccc(C[NH2+]Cc2ccc(F)c(F)c2[O-])c1 ZINC001207439131 1049893561 /nfs/dbraw/zinc/89/35/61/1049893561.db2.gz ASLCIMQGCALICI-UHFFFAOYSA-N 0 0 321.367 4.138 20 10 DICDRN [O-]c1cccc(F)c1C[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC001207623627 1049918576 /nfs/dbraw/zinc/91/85/76/1049918576.db2.gz XDERPYDLRPUUQP-UHFFFAOYSA-N 0 0 305.780 4.221 20 10 DICDRN CCc1nc(CN[C@@H](CC)c2ccc(N(C)C)cc2)cs1 ZINC000156441430 1049923750 /nfs/dbraw/zinc/92/37/50/1049923750.db2.gz LGEXINWBJZVLOJ-INIZCTEOSA-N 0 0 303.475 4.012 20 10 DICDRN Cc1cc(C)c2c(c1)CC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C2 ZINC001207862438 1049947475 /nfs/dbraw/zinc/94/74/75/1049947475.db2.gz YDGLONGUPDMSEQ-UHFFFAOYSA-N 0 0 319.807 4.360 20 10 DICDRN Cc1c(Cl)cc(Nc2ccncc2Cl)c(O)c1Cl ZINC001212160413 1050055569 /nfs/dbraw/zinc/05/55/69/1050055569.db2.gz SCEZXLFFIVIDTN-UHFFFAOYSA-N 0 0 303.576 4.221 20 10 DICDRN Clc1ccc2c(c1)nccc2Nc1ccc2c(c1)OCCN2 ZINC001209714007 1050078074 /nfs/dbraw/zinc/07/80/74/1050078074.db2.gz NJDRGAYNLPXQLS-UHFFFAOYSA-N 0 0 311.772 4.436 20 10 DICDRN c1cncc(-c2cccc(Nc3ccc4c(c3)OCCN4)c2)c1 ZINC001209728234 1050079329 /nfs/dbraw/zinc/07/93/29/1050079329.db2.gz NWRXTVHMFQCKQO-UHFFFAOYSA-N 0 0 303.365 4.297 20 10 DICDRN Fc1cc(Br)cc(Nc2ccc3c(c2)OCCN3)c1 ZINC001209766210 1050081476 /nfs/dbraw/zinc/08/14/76/1050081476.db2.gz ISCDYMQOVSYWMU-UHFFFAOYSA-N 0 0 323.165 4.136 20 10 DICDRN FC(F)(F)Oc1ccc(Nc2ccc3c(c2)OCCN3)cc1 ZINC001209766274 1050082054 /nfs/dbraw/zinc/08/20/54/1050082054.db2.gz LXFAKIAFSSGWBC-UHFFFAOYSA-N 0 0 310.275 4.133 20 10 DICDRN Cc1cccc(Br)c1Nc1ccc2c(c1)OCCN2 ZINC001209767036 1050082787 /nfs/dbraw/zinc/08/27/87/1050082787.db2.gz ZMLURCPOKCSXKN-UHFFFAOYSA-N 0 0 319.202 4.305 20 10 DICDRN CC[N@H+](Cc1cc2cc(OC)ccc2o1)Cc1ccccc1O ZINC001209772538 1050083113 /nfs/dbraw/zinc/08/31/13/1050083113.db2.gz UJUOBNOPJXWKBZ-UHFFFAOYSA-N 0 0 311.381 4.169 20 10 DICDRN CC(C)COc1ccc(Nc2ccc3c(c2)OCCN3)cc1F ZINC001209789840 1050084732 /nfs/dbraw/zinc/08/47/32/1050084732.db2.gz RQPSNDNDAKYPKL-UHFFFAOYSA-N 0 0 316.376 4.408 20 10 DICDRN CCN(CC)c1ccc(CN(C)Cc2ncc(C3CC3)o2)cc1 ZINC000760806578 1050121685 /nfs/dbraw/zinc/12/16/85/1050121685.db2.gz AFWNNZKIVDTMDJ-UHFFFAOYSA-N 0 0 313.445 4.030 20 10 DICDRN CC[C@H]([NH2+]Cc1cc(F)cc(OC)c1)c1cccc(Cl)c1[O-] ZINC000806150690 1050157458 /nfs/dbraw/zinc/15/74/58/1050157458.db2.gz XZQQAAGJXLGGLV-INIZCTEOSA-N 0 0 323.795 4.434 20 10 DICDRN Cn1c(-c2ccccc2)cnc1SCC(F)(F)C(F)F ZINC000733872095 1050159521 /nfs/dbraw/zinc/15/95/21/1050159521.db2.gz ZIBILOVMYGPOEK-UHFFFAOYSA-N 0 0 304.312 4.080 20 10 DICDRN CC(C)N(Cc1ncc(Cl)s1)Cc1ccc(N(C)C)cc1 ZINC000770617511 1050179653 /nfs/dbraw/zinc/17/96/53/1050179653.db2.gz DDUZETIHPSXRLM-UHFFFAOYSA-N 0 0 323.893 4.273 20 10 DICDRN CCOc1ccc(O)c(CNc2ccc3c(c2)CC(C)(C)O3)c1 ZINC000770603359 1050180198 /nfs/dbraw/zinc/18/01/98/1050180198.db2.gz XNWJQUDYBUYIII-UHFFFAOYSA-N 0 0 313.397 4.117 20 10 DICDRN COc1ccc(N(Cc2ccccc2)Cc2ncc(C)cn2)cc1 ZINC000760856049 1050189732 /nfs/dbraw/zinc/18/97/32/1050189732.db2.gz WGCJAIBMRBZGRG-UHFFFAOYSA-N 0 0 319.408 4.000 20 10 DICDRN CC[C@@H](Nc1ccc2c(c1)C[C@H](OC)C2)c1ccc(N(C)C)cc1 ZINC000760880585 1050193217 /nfs/dbraw/zinc/19/32/17/1050193217.db2.gz 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C[C@H]1CCC[C@H](C)[NH+]1Cc1cc(Br)c(F)cc1[O-] ZINC001144298382 1050533637 /nfs/dbraw/zinc/53/36/37/1050533637.db2.gz CRPCXESCJUDMRS-UWVGGRQHSA-N 0 0 316.214 4.057 20 10 DICDRN CC(C)[C@H](N[C@H]1C[C@@H](C)c2c1c(O)ccc2F)C(F)(F)F ZINC000786973309 1050533704 /nfs/dbraw/zinc/53/37/04/1050533704.db2.gz IJTKZQKZLWEJOX-YACGNSKGSA-N 0 0 305.315 4.256 20 10 DICDRN CCCC(O)(CCC)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000738438788 1050535537 /nfs/dbraw/zinc/53/55/37/1050535537.db2.gz DWSMYLBZLMTRAQ-UHFFFAOYSA-N 0 0 320.260 4.120 20 10 DICDRN Cc1ccc(Cl)cc1N(C)C(=O)/C=C\c1cccnc1C ZINC001129322536 1050557996 /nfs/dbraw/zinc/55/79/96/1050557996.db2.gz FUVXOPVVQBXYEG-CLFYSBASSA-N 0 0 300.789 4.028 20 10 DICDRN COc1cccc(C)c1NCc1cc(Br)ccc1O ZINC001171176517 1050566463 /nfs/dbraw/zinc/56/64/63/1050566463.db2.gz QLIMRKCTHUOTDN-UHFFFAOYSA-N 0 0 322.202 4.084 20 10 DICDRN C=Cc1cccc(NCc2cc(Br)ccc2O)c1 ZINC001171176119 1050568302 /nfs/dbraw/zinc/56/83/02/1050568302.db2.gz YMGOCJWYNKDSIK-UHFFFAOYSA-N 0 0 304.187 4.410 20 10 DICDRN CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000158090176 1050570615 /nfs/dbraw/zinc/57/06/15/1050570615.db2.gz HXCDCNVNPSOBRO-GFCCVEGCSA-N 0 0 305.805 4.295 20 10 DICDRN COc1cc(O)ccc1Nc1ccccc1Cc1ccc(N)cc1 ZINC001213098542 1050588654 /nfs/dbraw/zinc/58/86/54/1050588654.db2.gz ZNUOCAKEDKITEB-UHFFFAOYSA-N 0 0 320.392 4.317 20 10 DICDRN COc1cc2c(c(OC)c1)N(C[C@H]1CCCC[C@@H]1C)CCC2 ZINC001171188541 1050592949 /nfs/dbraw/zinc/59/29/49/1050592949.db2.gz CLGJTWIAMVPBDL-GOEBONIOSA-N 0 0 303.446 4.283 20 10 DICDRN CCOc1ccc(N(C)Cc2cc(-c3cccs3)on2)cc1 ZINC000739922324 1050595210 /nfs/dbraw/zinc/59/52/10/1050595210.db2.gz HHGQRMLYPPOUOS-UHFFFAOYSA-N 0 0 314.410 4.438 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)c1cccc(Cl)c1C ZINC000787424288 1050597559 /nfs/dbraw/zinc/59/75/59/1050597559.db2.gz IYAUREPQOBXFGX-UHFFFAOYSA-N 0 0 317.816 4.406 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC1CC2(CCC2)C1 ZINC001144628108 1050634878 /nfs/dbraw/zinc/63/48/78/1050634878.db2.gz GWZJKLBPONMWLN-UHFFFAOYSA-N 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IYXXPHTYMXLQTN-GDBMZVCRSA-N 0 0 309.409 4.080 20 10 DICDRN COc1ccc(C(=O)N[C@@H](C)c2ccccc2O)c2ccccc12 ZINC001171730958 1051202069 /nfs/dbraw/zinc/20/20/69/1051202069.db2.gz ULOOFCZUPXBKSG-ZDUSSCGKSA-N 0 0 321.376 4.045 20 10 DICDRN CCC[C@H](CC)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000744886811 1051210649 /nfs/dbraw/zinc/21/06/49/1051210649.db2.gz HITKVHYXNKQOGG-INIZCTEOSA-N 0 0 317.477 4.005 20 10 DICDRN CN(C)c1ccc(CN(CC(F)F)C2CC2)c(C(F)(F)F)c1 ZINC000792818320 1051214467 /nfs/dbraw/zinc/21/44/67/1051214467.db2.gz DZIGWUAFEYKFET-UHFFFAOYSA-N 0 0 322.321 4.001 20 10 DICDRN Cc1ncccc1NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000793030284 1051238936 /nfs/dbraw/zinc/23/89/36/1051238936.db2.gz STKUDVQIJCKVTD-UHFFFAOYSA-N 0 0 309.335 4.087 20 10 DICDRN CN(c1ccc(N)cc1)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC001215583011 1051258901 /nfs/dbraw/zinc/25/89/01/1051258901.db2.gz VKOBIGMBYDEHDX-UHFFFAOYSA-N 0 0 312.156 4.252 20 10 DICDRN CC[C@@H](C)[C@@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000745771404 1051287968 /nfs/dbraw/zinc/28/79/68/1051287968.db2.gz ABBUJHBAQXHODU-HZPDHXFCSA-N 0 0 319.493 4.107 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)C1CCCCC1 ZINC000745839334 1051289330 /nfs/dbraw/zinc/28/93/30/1051289330.db2.gz UWEBBZNUNMDZQT-OAHLLOKOSA-N 0 0 318.461 4.283 20 10 DICDRN CC(C)N(C(=O)c1ccc(Nc2ccc(N)cc2)cc1)C(C)C ZINC001215658839 1051289552 /nfs/dbraw/zinc/28/95/52/1051289552.db2.gz AOKWRCPDLMTFQX-UHFFFAOYSA-N 0 0 311.429 4.271 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)NC1CCC(C)(C)CC1 ZINC000745842365 1051290055 /nfs/dbraw/zinc/29/00/55/1051290055.db2.gz JMTSUZGNNGBCBE-UHFFFAOYSA-N 0 0 318.461 4.283 20 10 DICDRN CCN(Cc1nnc(-c2ccc(C)cc2)o1)c1ccc(OC)cc1 ZINC000746109220 1051323737 /nfs/dbraw/zinc/32/37/37/1051323737.db2.gz MTDXRVRYICNSKH-UHFFFAOYSA-N 0 0 323.396 4.080 20 10 DICDRN COc1cncc(N(c2ccc(N)cc2)c2ccc(N)cc2)c1C ZINC001215735637 1051333930 /nfs/dbraw/zinc/33/39/30/1051333930.db2.gz XDCSXJYTFSOANM-UHFFFAOYSA-N 0 0 320.396 4.033 20 10 DICDRN CN(C)c1ccc(CNc2nc(-c3ccccc3)cs2)cc1 ZINC000746345893 1051372292 /nfs/dbraw/zinc/37/22/92/1051372292.db2.gz BJZAPUTUPOOHTA-UHFFFAOYSA-N 0 0 309.438 4.488 20 10 DICDRN CC(C)(C)CCCCC(=O)NCCCSc1nccs1 ZINC000804371385 1051375427 /nfs/dbraw/zinc/37/54/27/1051375427.db2.gz FJRNBBJAKMUBCX-UHFFFAOYSA-N 0 0 314.520 4.348 20 10 DICDRN COc1cnc(F)cc1Nc1ccc(Cc2ccc(N)cc2)cc1 ZINC001215808799 1051383505 /nfs/dbraw/zinc/38/35/05/1051383505.db2.gz WXMTVDZENOHKJV-UHFFFAOYSA-N 0 0 323.371 4.146 20 10 DICDRN FC(F)(F)c1cc(NCCCSc2nccs2)ccn1 ZINC000804452986 1051406039 /nfs/dbraw/zinc/40/60/39/1051406039.db2.gz SGNXGOYTBIRQBX-UHFFFAOYSA-N 0 0 319.377 4.151 20 10 DICDRN Nc1ccc(NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)cc1 ZINC000746478665 1051435955 /nfs/dbraw/zinc/43/59/55/1051435955.db2.gz LUCDWKBHZBRZMV-UHFFFAOYSA-N 0 0 322.339 4.453 20 10 DICDRN C[C@H](Nc1ncccc1Br)c1ccc(N(C)C)cc1 ZINC000804622056 1051496382 /nfs/dbraw/zinc/49/63/82/1051496382.db2.gz QPFWVICNLPKJOG-NSHDSACASA-N 0 0 320.234 4.083 20 10 DICDRN O=C(c1ccncc1)c1ccccc1Nc1c(O)cccc1Cl ZINC001215987942 1051505769 /nfs/dbraw/zinc/50/57/69/1051505769.db2.gz PBLXNHKPYGAYLR-UHFFFAOYSA-N 0 0 324.767 4.415 20 10 DICDRN CCc1ccc(NC(=O)NCc2cc(Cl)ccc2O)cc1C ZINC001215989871 1051507610 /nfs/dbraw/zinc/50/76/10/1051507610.db2.gz IEOIUYHNYCSODJ-UHFFFAOYSA-N 0 0 318.804 4.238 20 10 DICDRN Cc1cncc(-c2noc(-c3ccc(-n4cccc4)c(F)c3)n2)c1 ZINC000761578063 1051602756 /nfs/dbraw/zinc/60/27/56/1051602756.db2.gz VBVMHNRRJAKALX-UHFFFAOYSA-N 0 0 320.327 4.037 20 10 DICDRN CC[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)c3cccnc3c2[O-])C1 ZINC001173263088 1051663684 /nfs/dbraw/zinc/66/36/84/1051663684.db2.gz IMCYCGDHBIEXIS-AAEUAGOBSA-N 0 0 304.821 4.262 20 10 DICDRN O=C(c1ccncc1)c1ccccc1Nc1ccc(Cl)c(O)c1 ZINC001212595368 1051701367 /nfs/dbraw/zinc/70/13/67/1051701367.db2.gz PYCOKQHQOWDULH-UHFFFAOYSA-N 0 0 324.767 4.415 20 10 DICDRN COc1c(O)cccc1N(Cc1ccccc1)c1ccc(N)cc1 ZINC001216351773 1051716458 /nfs/dbraw/zinc/71/64/58/1051716458.db2.gz ANHAMLPXAACGDF-UHFFFAOYSA-N 0 0 320.392 4.321 20 10 DICDRN CC[C@@H]([NH2+]C[C@H](C)COC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806132869 1051733431 /nfs/dbraw/zinc/73/34/31/1051733431.db2.gz BVNATNALCIHKTL-TVQRCGJNSA-N 0 0 306.233 4.022 20 10 DICDRN CC[C@@H]([NH2+]C[C@H](O)CC(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806136006 1051734661 /nfs/dbraw/zinc/73/46/61/1051734661.db2.gz QPVIVRQAFAGNSF-BXUZGUMPSA-N 0 0 320.260 4.147 20 10 DICDRN CC[C@H]([NH2+]C[C@H](O)c1ccc(C)cc1)c1cccc(Cl)c1[O-] ZINC000806133269 1051734925 /nfs/dbraw/zinc/73/49/25/1051734925.db2.gz KQGBNRWQXYHCBN-IRXDYDNUSA-N 0 0 319.832 4.128 20 10 DICDRN CC[C@H]([NH2+]C[C@H](OC)c1ccccc1)c1cccc(Cl)c1[O-] ZINC000806133621 1051735894 /nfs/dbraw/zinc/73/58/94/1051735894.db2.gz OWRYAQWTRYHRDP-IRXDYDNUSA-N 0 0 319.832 4.474 20 10 DICDRN Cc1cc(N(C)c2ccc(N)cc2)ccc1C(=O)OC(C)(C)C ZINC001216382585 1051737668 /nfs/dbraw/zinc/73/76/68/1051737668.db2.gz ZDTCNCDUCFOVTL-UHFFFAOYSA-N 0 0 312.413 4.300 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(Cl)c1[O-] ZINC000806137238 1051738278 /nfs/dbraw/zinc/73/82/78/1051738278.db2.gz LRCPOWINYFXZKB-MRXNPFEDSA-N 0 0 317.816 4.221 20 10 DICDRN CC/C=C\CNC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl ZINC001129354123 1051746388 /nfs/dbraw/zinc/74/63/88/1051746388.db2.gz IAXXSLDGTODMJA-WAYWQWQTSA-N 0 0 316.832 4.444 20 10 DICDRN CC[C@@H]([NH2+]C1CCC(O)(CC)CC1)c1cccc(Cl)c1[O-] ZINC000806142829 1051749856 /nfs/dbraw/zinc/74/98/56/1051749856.db2.gz GEXVMVUPMZNHGM-YAJUMTOWSA-N 0 0 311.853 4.170 20 10 DICDRN CC(=O)[C@H](Cc1ccc(Cl)cc1F)Sc1nccs1 ZINC000767061431 1051752717 /nfs/dbraw/zinc/75/27/17/1051752717.db2.gz IPGUHVXAQQKOBR-LBPRGKRZSA-N 0 0 315.822 4.228 20 10 DICDRN CC[C@H]([NH2+]CC1(CC)CCOCC1)c1cccc(Cl)c1[O-] ZINC000806143383 1051753220 /nfs/dbraw/zinc/75/32/20/1051753220.db2.gz UVQLZKRHGXXOBW-HNNXBMFYSA-N 0 0 311.853 4.293 20 10 DICDRN CC[C@@H](CCO)C[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806144841 1051753323 /nfs/dbraw/zinc/75/33/23/1051753323.db2.gz VZUVJVORBGEPJS-HZMBPMFUSA-N 0 0 320.260 4.148 20 10 DICDRN CC[C@H]([NH2+]C[C@@H](C)c1c(C)noc1C)c1cccc(Cl)c1[O-] ZINC000806149033 1051754020 /nfs/dbraw/zinc/75/40/20/1051754020.db2.gz OSLXCULLBYWXPY-BMIGLBTASA-N 0 0 322.836 4.495 20 10 DICDRN CC[C@H]([NH2+][C@H](COC)C1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806150013 1051754779 /nfs/dbraw/zinc/75/47/79/1051754779.db2.gz ZZUIKGBPHDIJCN-UONOGXRCSA-N 0 0 318.244 4.165 20 10 DICDRN CC[C@H]([NH2+]CC[C@H]1CCOC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806157077 1051758514 /nfs/dbraw/zinc/75/85/14/1051758514.db2.gz BDXPEIROKXZDKW-HZMBPMFUSA-N 0 0 318.244 4.166 20 10 DICDRN C/C=C\C[C@H](CO)[NH2+][C@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806157694 1051760436 /nfs/dbraw/zinc/76/04/36/1051760436.db2.gz AVDKQNJKYBJFSX-ORRWMOISSA-N 0 0 318.244 4.067 20 10 DICDRN CC[C@H]([NH2+]C[C@]1(C)CCO[C@H]1C1CC1)c1cccc(Cl)c1[O-] ZINC000806157945 1051761447 /nfs/dbraw/zinc/76/14/47/1051761447.db2.gz CELDTTNXJNHHSD-SZMVWBNQSA-N 0 0 323.864 4.292 20 10 DICDRN Cc1ccnc(-c2noc(-c3ccc(-n4cccc4)c(F)c3)n2)c1 ZINC000761597129 1051762800 /nfs/dbraw/zinc/76/28/00/1051762800.db2.gz MPSSCUWFFZXYPW-UHFFFAOYSA-N 0 0 320.327 4.037 20 10 DICDRN CC[C@@H]([NH2+]Cc1cc(F)ccc1OC)c1cccc(Cl)c1[O-] ZINC000806162202 1051765128 /nfs/dbraw/zinc/76/51/28/1051765128.db2.gz YJCLBYNJZDEYQK-OAHLLOKOSA-N 0 0 323.795 4.434 20 10 DICDRN CC[C@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1cccc(Cl)c1[O-] ZINC000806162352 1051765563 /nfs/dbraw/zinc/76/55/63/1051765563.db2.gz VHGUMXMMKQKEIF-YOEHRIQHSA-N 0 0 322.880 4.103 20 10 DICDRN CC[C@H]([NH2+]CCCc1cccc(C)n1)c1cccc(Cl)c1[O-] ZINC000806166546 1051766575 /nfs/dbraw/zinc/76/65/75/1051766575.db2.gz TUAYFBZNKCEOPQ-KRWDZBQOSA-N 0 0 318.848 4.423 20 10 DICDRN COc1ccc(N(CCc2csc(C)n2)C(C)C)cc1F ZINC000767425403 1051806891 /nfs/dbraw/zinc/80/68/91/1051806891.db2.gz CKHCNZSHQFESCI-UHFFFAOYSA-N 0 0 308.422 4.057 20 10 DICDRN O=C(c1ccncc1)c1ccccc1NC=Cc1ccccc1 ZINC001173871676 1051840562 /nfs/dbraw/zinc/84/05/62/1051840562.db2.gz BWUQTNZXACFMBW-XNTDXEJSSA-N 0 0 300.361 4.395 20 10 DICDRN Cc1c(NCc2c(O)cccc2Cl)cnn1C1CCCC1 ZINC000767727761 1051841520 /nfs/dbraw/zinc/84/15/20/1051841520.db2.gz MUSDYUONUCCDAD-UHFFFAOYSA-N 0 0 305.809 4.278 20 10 DICDRN CCN(CC)C(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000747358074 1051857748 /nfs/dbraw/zinc/85/77/48/1051857748.db2.gz ZDOBNYWFUIZTTJ-UHFFFAOYSA-N 0 0 318.848 4.158 20 10 DICDRN COc1ccc(N(CCC(C)C)Cc2cncc(F)c2)cc1 ZINC001169978902 1051873608 /nfs/dbraw/zinc/87/36/08/1051873608.db2.gz HSKVIZSLBXMRIQ-UHFFFAOYSA-N 0 0 302.393 4.282 20 10 DICDRN CCOc1ccc(C[NH+]2CCC(c3ccccc3)CC2)c(O)c1 ZINC000768233716 1051907772 /nfs/dbraw/zinc/90/77/72/1051907772.db2.gz QFPBRBYZOMEXLX-UHFFFAOYSA-N 0 0 311.425 4.171 20 10 DICDRN Cc1ccc(-c2ccnc(NCc3ccc(O)c(O)c3)c2)cc1 ZINC001169990629 1051916014 /nfs/dbraw/zinc/91/60/14/1051916014.db2.gz KFPKMKQQTYPLBS-UHFFFAOYSA-N 0 0 306.365 4.080 20 10 DICDRN O=C(c1ccncc1)c1ccccc1Nc1cc(F)ccc1F ZINC001173951483 1051917375 /nfs/dbraw/zinc/91/73/75/1051917375.db2.gz MJKFVAQZTTYYRB-UHFFFAOYSA-N 0 0 310.303 4.334 20 10 DICDRN COc1cc(CN(C)Cc2c(F)cccc2Cl)c(O)cc1C ZINC000768438045 1051930972 /nfs/dbraw/zinc/93/09/72/1051930972.db2.gz OZBSNOHFPHPWRA-UHFFFAOYSA-N 0 0 323.795 4.134 20 10 DICDRN COc1ccc(N(Cc2ccccc2)Cc2cncc(F)c2)cc1 ZINC000768519088 1051942689 /nfs/dbraw/zinc/94/26/89/1051942689.db2.gz ILUKDMUHHYEXEJ-UHFFFAOYSA-N 0 0 322.383 4.436 20 10 DICDRN COc1ccc(N(C)Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1F ZINC000768549137 1051944216 /nfs/dbraw/zinc/94/42/16/1051944216.db2.gz QTZWMDKYQRPCIT-UHFFFAOYSA-N 0 0 324.739 4.032 20 10 DICDRN Oc1c(Nc2ccnc3ccccc32)cccc1C(F)(F)F ZINC001174038929 1051962330 /nfs/dbraw/zinc/96/23/30/1051962330.db2.gz GMJKWFOMZJHDQQ-UHFFFAOYSA-N 0 0 304.271 4.125 20 10 DICDRN C[C@@H]1CCC[C@H]1CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000768982806 1051987020 /nfs/dbraw/zinc/98/70/20/1051987020.db2.gz GLMFJJZCTHIOMH-AEFFLSMTSA-N 0 0 314.473 4.119 20 10 DICDRN CC[C@H]([NH2+]C[C@]1(C)CCCO1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806144216 1051992288 /nfs/dbraw/zinc/99/22/88/1051992288.db2.gz PHMCIIMJZBHWDM-ZFWWWQNUSA-N 0 0 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Cc1cc([C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(C)s1 ZINC000756379292 1066468651 /nfs/dbraw/zinc/46/86/51/1066468651.db2.gz MUHRLYNVNKFHIS-GHMZBOCLSA-N 0 0 320.414 4.391 20 10 DICDRN C[C@H]([NH2+][C@H](c1cccs1)C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756364254 1066468730 /nfs/dbraw/zinc/46/87/30/1066468730.db2.gz JDIAIGIUPUMMEP-QFYYESIMSA-N 0 0 318.398 4.164 20 10 DICDRN CC(C)(C)c1ccc(NC(=O)NCc2c(O)cccc2F)cc1 ZINC001310104790 1066491904 /nfs/dbraw/zinc/49/19/04/1066491904.db2.gz ZFQBFPXQVFLAQU-UHFFFAOYSA-N 0 0 316.376 4.151 20 10 DICDRN CCc1ccc(NC(=O)NCc2cc(C)ccc2O)cc1Cl ZINC001310703277 1066553091 /nfs/dbraw/zinc/55/30/91/1066553091.db2.gz XMWBQOVTRJBVTA-UHFFFAOYSA-N 0 0 318.804 4.238 20 10 DICDRN CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N[C@H](C)c1ccccc1O ZINC001311859012 1066702179 /nfs/dbraw/zinc/70/21/79/1066702179.db2.gz FVFWQDBFZBEBFD-HLLBOEOZSA-N 0 0 318.461 4.357 20 10 DICDRN Brc1ccc(OCCSc2nccs2)cc1 ZINC000042374127 183260891 /nfs/dbraw/zinc/26/08/91/183260891.db2.gz GKODUILDXNCECW-UHFFFAOYSA-N 0 0 316.245 4.077 20 10 DICDRN CC(C)Oc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000273303841 130104892 /nfs/dbraw/zinc/10/48/92/130104892.db2.gz CEVIGERVMNPAHP-ZDUSSCGKSA-N 0 0 303.377 4.169 20 10 DICDRN C[C@H]([NH2+]Cc1ccc(C(F)F)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000274299912 130224531 /nfs/dbraw/zinc/22/45/31/130224531.db2.gz QGCPGQUXQRMSKR-JTQLQIEISA-N 0 0 322.311 4.089 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](C)c1cccs1 ZINC000282604921 130931909 /nfs/dbraw/zinc/93/19/09/130931909.db2.gz YIHNASCKQGFRHK-CQSZACIVSA-N 0 0 317.454 4.386 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)c1ccccc1OC)c1ccc(F)cc1[O-] ZINC000285604433 131185036 /nfs/dbraw/zinc/18/50/36/131185036.db2.gz JYJGDZVSEZCAFR-BLLLJJGKSA-N 0 0 303.377 4.342 20 10 DICDRN CC[C@H](N[C@H](C)c1c(F)cncc1F)c1ccc(N(C)C)cc1 ZINC000285668897 131191906 /nfs/dbraw/zinc/19/19/06/131191906.db2.gz MVCLFWHAPCLWPM-PXAZEXFGSA-N 0 0 319.399 4.228 20 10 DICDRN C[C@H](N[C@@H](C)c1c(F)cncc1F)c1cc(Cl)ccc1O ZINC000285804549 131203141 /nfs/dbraw/zinc/20/31/41/131203141.db2.gz WDGJCODYTDNSCE-IUCAKERBSA-N 0 0 312.747 4.131 20 10 DICDRN CCC(=O)Nc1ccc(N[C@@H](CC)c2ccc(F)cc2O)cc1 ZINC000285992190 131213989 /nfs/dbraw/zinc/21/39/89/131213989.db2.gz HBIXCPWUGGHDJE-INIZCTEOSA-N 0 0 316.376 4.443 20 10 DICDRN CC[C@@H]([NH2+]C[C@H](C)c1ncc(C)s1)c1ccc(F)cc1[O-] ZINC000286073653 131218840 /nfs/dbraw/zinc/21/88/40/131218840.db2.gz LFCRIYONVQIIQH-IINYFYTJSA-N 0 0 308.422 4.141 20 10 DICDRN CC[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)c1ccc(F)cc1[O-] ZINC000286119473 131220308 /nfs/dbraw/zinc/22/03/08/131220308.db2.gz OADNNYLGOCKJQK-MSOLQXFVSA-N 0 0 317.404 4.086 20 10 DICDRN CCc1nc([C@@H](C)[NH2+][C@@H](CC)c2ccc(F)cc2[O-])cs1 ZINC000286186066 131223534 /nfs/dbraw/zinc/22/35/34/131223534.db2.gz QZKJYWDAIOXXFP-MFKMUULPSA-N 0 0 308.422 4.352 20 10 DICDRN COc1ccc(CN[C@@H](C)c2nccn2-c2ccccc2)cc1C ZINC000287204850 131269226 /nfs/dbraw/zinc/26/92/26/131269226.db2.gz MBBVEZCHYLZUBS-INIZCTEOSA-N 0 0 321.424 4.040 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)c1nnc(C)s1)c1cccc(Cl)c1[O-] ZINC000287298121 131273722 /nfs/dbraw/zinc/27/37/22/131273722.db2.gz CGELMPUATSYWFC-QPUJVOFHSA-N 0 0 311.838 4.007 20 10 DICDRN CC[C@H]([NH2+]Cc1cc(C)cc(Cl)n1)c1ccc(F)cc1[O-] ZINC000287616738 131289905 /nfs/dbraw/zinc/28/99/05/131289905.db2.gz STSGLZORAXJECH-AWEZNQCLSA-N 0 0 308.784 4.129 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287884611 131305032 /nfs/dbraw/zinc/30/50/32/131305032.db2.gz YPFLSHFWZVSFLU-BHDSKKPTSA-N 0 0 318.244 4.165 20 10 DICDRN C[C@@H](Nc1ccc([C@H]2CCOC2)cc1)c1ccc(F)cc1O ZINC000294893975 131869057 /nfs/dbraw/zinc/86/90/57/131869057.db2.gz FCZRFWSWUZTGOY-OCCSQVGLSA-N 0 0 301.361 4.208 20 10 DICDRN Oc1cccc2c1[C@H](Nc1cccc(COCC3CC3)c1)CC2 ZINC000296983398 131995479 /nfs/dbraw/zinc/99/54/79/131995479.db2.gz SBNGQEUVSOVFBU-GOSISDBHSA-N 0 0 309.409 4.418 20 10 DICDRN CCOc1ccc(N[C@@H](C)c2c(C)cc(C)cc2O)cc1CO ZINC000294524081 335124410 /nfs/dbraw/zinc/12/44/10/335124410.db2.gz ZLNKKVMEYROIDD-AWEZNQCLSA-N 0 0 315.413 4.073 20 10 DICDRN CC(C)C[C@H](C)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000274191416 334056625 /nfs/dbraw/zinc/05/66/25/334056625.db2.gz QWHDXTLZZOFCCD-AWEZNQCLSA-N 0 0 322.412 4.017 20 10 DICDRN Cc1cc(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)nc(C)n1 ZINC000301056164 336287595 /nfs/dbraw/zinc/28/75/95/336287595.db2.gz BEJOFMKJOYIVML-UHFFFAOYSA-N 0 0 322.387 4.008 20 10 DICDRN COc1ccc(O)c([C@@H](C)Nc2nc3ccccc3s2)c1 ZINC000301196864 336294390 /nfs/dbraw/zinc/29/43/90/336294390.db2.gz NVSOBGPOEVPUMX-SNVBAGLBSA-N 0 0 300.383 4.184 20 10 DICDRN COc1ccc(O)c([C@H](C)Nc2nc(C(F)(F)F)cs2)c1 ZINC000301711060 336324902 /nfs/dbraw/zinc/32/49/02/336324902.db2.gz DPRPLUSCWLRMIV-ZETCQYMHSA-N 0 0 318.320 4.049 20 10 DICDRN CCCN(Cc1ccccc1O)c1ncnc2sc(C)cc21 ZINC000301885340 336336233 /nfs/dbraw/zinc/33/62/33/336336233.db2.gz ZNJBHHDLPXNGIJ-UHFFFAOYSA-N 0 0 313.426 4.122 20 10 DICDRN C[C@H](Nc1ccc(Br)cn1)c1ccc(N(C)C)cc1 ZINC000302361824 336357583 /nfs/dbraw/zinc/35/75/83/336357583.db2.gz FRQLTVOMORXTLF-NSHDSACASA-N 0 0 320.234 4.083 20 10 DICDRN Cc1cccc2c(N[C@H](C)c3ccc(N(C)C)cc3)ncnc12 ZINC000302446949 336358918 /nfs/dbraw/zinc/35/89/18/336358918.db2.gz SFMHJJUIZCFDMQ-CQSZACIVSA-N 0 0 306.413 4.177 20 10 DICDRN C[C@@H](Nc1cc(Cl)nc(C2CC2)n1)c1ccc(N(C)C)cc1 ZINC000302476453 336359561 /nfs/dbraw/zinc/35/95/61/336359561.db2.gz XKTGMYOINJPFTB-LLVKDONJSA-N 0 0 316.836 4.247 20 10 DICDRN Brc1ccc2ncnc(Sc3nccs3)c2c1 ZINC000112965316 336399999 /nfs/dbraw/zinc/39/99/99/336399999.db2.gz PTULHDVPFPQQLN-UHFFFAOYSA-N 0 0 324.228 4.000 20 10 DICDRN Cc1cccc(-c2nnc([C@H](C)Sc3nccs3)o2)c1 ZINC000363181077 336819864 /nfs/dbraw/zinc/81/98/64/336819864.db2.gz RCKWCLGXTOPFAK-JTQLQIEISA-N 0 0 303.412 4.355 20 10 DICDRN CC(C)n1ncc2c1[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])CCC2 ZINC000375176611 337005280 /nfs/dbraw/zinc/00/52/80/337005280.db2.gz BAAIYXMNTWGEHB-BLLLJJGKSA-N 0 0 317.408 4.037 20 10 DICDRN CC(C)c1nc([C@@H]2CCCCCN2Cc2ccccc2O)no1 ZINC000378534786 337075257 /nfs/dbraw/zinc/07/52/57/337075257.db2.gz QNKSGOPCNPRNPA-HNNXBMFYSA-N 0 0 315.417 4.016 20 10 DICDRN C[C@H]([NH2+][C@@H](c1ccccc1)c1ccncc1)c1ccc(F)cc1[O-] ZINC000185152415 337202349 /nfs/dbraw/zinc/20/23/49/337202349.db2.gz MZETZDZDFXTVFJ-XOBRGWDASA-N 0 0 322.383 4.367 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCCOc2ccccc21)c1ccc(F)cc1[O-] ZINC000185270453 337203870 /nfs/dbraw/zinc/20/38/70/337203870.db2.gz YYGTURLHPANNRA-MLGOLLRUSA-N 0 0 301.361 4.096 20 10 DICDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccc(C)cc1 ZINC000471113199 339337517 /nfs/dbraw/zinc/33/75/17/339337517.db2.gz AGJWJANWEICGMH-UHFFFAOYSA-N 0 0 307.397 4.117 20 10 DICDRN CSc1ccccc1C(=O)NCc1c(C)c2ccccc2n1C ZINC000471225905 339340425 /nfs/dbraw/zinc/34/04/25/339340425.db2.gz IPHFXPMNRIXRGN-UHFFFAOYSA-N 0 0 324.449 4.139 20 10 DICDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H](C)c1cccc(F)c1 ZINC000471229786 339340482 /nfs/dbraw/zinc/34/04/82/339340482.db2.gz FWFGCANGVZSHSY-ZDUSSCGKSA-N 0 0 324.399 4.046 20 10 DICDRN CC[C@@H](C(=O)NCc1c(C)c2ccccc2n1C)c1ccccc1 ZINC000471236494 339340802 /nfs/dbraw/zinc/34/08/02/339340802.db2.gz WVRFMBFKTLDBMT-QGZVFWFLSA-N 0 0 320.436 4.297 20 10 DICDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccccc1Cl ZINC000471234182 339340816 /nfs/dbraw/zinc/34/08/16/339340816.db2.gz IWHFVPPHEMDMKC-UHFFFAOYSA-N 0 0 312.800 4.070 20 10 DICDRN Cc1c2ccccc2n(C)c1CNc1ccc(OC(F)F)cn1 ZINC000480505080 339575242 /nfs/dbraw/zinc/57/52/42/339575242.db2.gz YOYVUFHIFSNUBN-UHFFFAOYSA-N 0 0 317.339 4.095 20 10 DICDRN COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000273427590 341635725 /nfs/dbraw/zinc/63/57/25/341635725.db2.gz URTHDZJSLGMJBY-STQMWFEESA-N 0 0 303.377 4.260 20 10 DICDRN CC(C)[C@H](SCc1ccccc1)C(=O)Nc1ccc(N)cc1 ZINC000236603115 519823877 /nfs/dbraw/zinc/82/38/77/519823877.db2.gz MNKZDXCABPQIPZ-KRWDZBQOSA-N 0 0 314.454 4.165 20 10 DICDRN CC(C)c1nc([C@@H](C)NCc2ccc(N(C)C)cc2)cs1 ZINC000124349889 519866437 /nfs/dbraw/zinc/86/64/37/519866437.db2.gz IPKWWVXWZPCZEW-CYBMUJFWSA-N 0 0 303.475 4.183 20 10 DICDRN CCCCN(C(=O)Cc1ccc(N)cc1)[C@H](C)c1ccccc1 ZINC000160179569 520344384 /nfs/dbraw/zinc/34/43/84/520344384.db2.gz UAVRMOHLLMXRBS-MRXNPFEDSA-N 0 0 310.441 4.201 20 10 DICDRN CCN(CC)c1ccc(CN[C@@H](C)c2csc(C)n2)cc1F ZINC000265751694 520910117 /nfs/dbraw/zinc/91/01/17/520910117.db2.gz HTGYQJHIJVCVMA-LBPRGKRZSA-N 0 0 321.465 4.288 20 10 DICDRN CC[C@H](Nc1cc(F)c(OC)cc1OC)c1ccccc1O ZINC000157808602 522764057 /nfs/dbraw/zinc/76/40/57/522764057.db2.gz ZKCARVYBRDGTPH-ZDUSSCGKSA-N 0 0 305.349 4.112 20 10 DICDRN CC[C@@H](Nc1cc(F)c(OC)cc1OC)c1ccccc1O ZINC000157808749 522956032 /nfs/dbraw/zinc/95/60/32/522956032.db2.gz ZKCARVYBRDGTPH-CYBMUJFWSA-N 0 0 305.349 4.112 20 10 DICDRN CC[C@@H](Nc1ccc(NC(C)=O)cc1)c1ccc(N(C)C)cc1 ZINC000181957027 522958902 /nfs/dbraw/zinc/95/89/02/522958902.db2.gz PPYCNRSBWKMXTG-LJQANCHMSA-N 0 0 311.429 4.274 20 10 DICDRN CC[C@@H](Nc1ccc2c(c1)CCC(=O)N2CC)c1ccccc1O ZINC000158109642 522960824 /nfs/dbraw/zinc/96/08/24/522960824.db2.gz VHHHOYQNAGTGRQ-QGZVFWFLSA-N 0 0 324.424 4.255 20 10 DICDRN C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)c1ccc(F)c(F)c1[O-] ZINC000191191085 525545544 /nfs/dbraw/zinc/54/55/44/525545544.db2.gz JSLKAXTYHGGLJZ-GTNSWQLSSA-N 0 0 303.352 4.472 20 10 DICDRN C[C@H](Nc1ccc(N2CCSCC2)cc1)c1ccccc1O ZINC000183698816 525658256 /nfs/dbraw/zinc/65/82/56/525658256.db2.gz YIQKGMOVQWYLEV-AWEZNQCLSA-N 0 0 314.454 4.119 20 10 DICDRN Cc1cnc(CN(C)Cc2ccc(N3CCCCC3)cc2)s1 ZINC000180417969 526006708 /nfs/dbraw/zinc/00/67/08/526006708.db2.gz QBWJCZINCSFYOJ-UHFFFAOYSA-N 0 0 315.486 4.074 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]C1(c2nccs2)CCCC1 ZINC000182220229 526326956 /nfs/dbraw/zinc/32/69/56/526326956.db2.gz SBMVKKQCMQUGQY-UHFFFAOYSA-N 0 0 308.834 4.061 20 10 DICDRN Nc1ccc(NC(=O)C2(Sc3ccccc3)CCCC2)cc1 ZINC000237966061 527490611 /nfs/dbraw/zinc/49/06/11/527490611.db2.gz MFRDKTFTUGPCTF-UHFFFAOYSA-N 0 0 312.438 4.312 20 10 DICDRN CCOc1cccc(CNc2cccc(OC(F)F)c2)c1O ZINC000121903522 535463978 /nfs/dbraw/zinc/46/39/78/535463978.db2.gz MOHPGVCKZVVDRU-UHFFFAOYSA-N 0 0 309.312 4.004 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)c1nnc(C)s1)c1cccc(Cl)c1[O-] ZINC000287298118 535808833 /nfs/dbraw/zinc/80/88/33/535808833.db2.gz CGELMPUATSYWFC-PRHODGIISA-N 0 0 311.838 4.007 20 10 DICDRN CC[C@H]([NH2+]C1(c2cccc(OC)c2)CC1)c1ccc(F)cc1[O-] ZINC000285902856 535892964 /nfs/dbraw/zinc/89/29/64/535892964.db2.gz BJJKZDNKUISYJK-KRWDZBQOSA-N 0 0 315.388 4.270 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cccc(Cl)c1[O-] ZINC000287551092 535934705 /nfs/dbraw/zinc/93/47/05/535934705.db2.gz FQGVSQBALQVUBZ-CAPXZKIUSA-N 0 0 309.837 4.044 20 10 DICDRN CC[C@H]([NH2+][C@H](COC)c1ccc(C)o1)c1cccc(Cl)c1[O-] ZINC000287879892 535945269 /nfs/dbraw/zinc/94/52/69/535945269.db2.gz YIRDLRDUHGOIID-LSDHHAIUSA-N 0 0 323.820 4.375 20 10 DICDRN CC[C@H]1CCCC[C@H]1C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC001625794603 1035689698 /nfs/dbraw/zinc/68/96/98/1035689698.db2.gz MJAIXIHAQJNKOL-PKOBYXMFSA-N 0 0 316.489 4.318 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccccc2C)cc1 ZINC000728219098 1036017910 /nfs/dbraw/zinc/01/79/10/1036017910.db2.gz HAHBIJGPZKAHEM-UHFFFAOYSA-N 0 0 310.441 4.113 20 10 DICDRN Cc1ccc(C)c(NCc2cccc(Br)c2O)c1 ZINC000042411730 1036120370 /nfs/dbraw/zinc/12/03/70/1036120370.db2.gz DWTPXNVKYZZIMD-UHFFFAOYSA-N 0 0 306.203 4.384 20 10 DICDRN Cc1ccc(NCc2cccc(Br)c2O)c(F)c1 ZINC000042411854 1036120570 /nfs/dbraw/zinc/12/05/70/1036120570.db2.gz RTOIFLVKTPXNPK-UHFFFAOYSA-N 0 0 310.166 4.214 20 10 DICDRN Cc1ccsc1CCCC(=O)NCc1cccc(Cl)c1O ZINC000890760664 1036225672 /nfs/dbraw/zinc/22/56/72/1036225672.db2.gz VIMPOYFDGLKSIV-UHFFFAOYSA-N 0 0 323.845 4.055 20 10 DICDRN O=C(NC[C@H]1CCCO1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255067027 1036451430 /nfs/dbraw/zinc/45/14/30/1036451430.db2.gz GLWHFFWBJKZOLF-QGZVFWFLSA-N 0 0 324.384 4.403 20 10 DICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCC1CCC1 ZINC000175813114 1036603089 /nfs/dbraw/zinc/60/30/89/1036603089.db2.gz VESHRENVWULDFQ-UHFFFAOYSA-N 0 0 314.473 4.216 20 10 DICDRN CC(C)n1cc(Nc2ccccc2C(=O)c2ccccc2)cn1 ZINC001210322589 1036615410 /nfs/dbraw/zinc/61/54/10/1036615410.db2.gz ZKRACNNLSHWFQW-UHFFFAOYSA-N 0 0 305.381 4.439 20 10 DICDRN Cc1cc(C)cc(C(=O)c2ccccc2Nc2ccn(C)n2)c1 ZINC001210358601 1036640691 /nfs/dbraw/zinc/64/06/91/1036640691.db2.gz YKUMEWMUCYOUFB-UHFFFAOYSA-N 0 0 305.381 4.012 20 10 DICDRN C[C@H](NC(=O)c1cc2c(s1)CC[C@H](C)C2)c1ccccc1O ZINC001648892289 1036676790 /nfs/dbraw/zinc/67/67/90/1036676790.db2.gz ULPPNIJBOMGTQW-RYUDHWBXSA-N 0 0 315.438 4.070 20 10 DICDRN CC[C@H](Nc1cnn([C@@H](C)C2CC2)c1)c1ccc(N(C)C)cc1 ZINC000187614938 1036982470 /nfs/dbraw/zinc/98/24/70/1036982470.db2.gz FSKDQCJOUYOHEU-LIRRHRJNSA-N 0 0 312.461 4.483 20 10 DICDRN Cc1cccc(C(C)C)c1NC(=O)N(C)Cc1ccccc1O ZINC000047337044 1037001606 /nfs/dbraw/zinc/00/16/06/1037001606.db2.gz SMVBSLYMSDFSDR-UHFFFAOYSA-N 0 0 312.413 4.488 20 10 DICDRN CCCn1nccc1N(Cc1ccccc1)c1ccc(N)cc1 ZINC001210918176 1037052172 /nfs/dbraw/zinc/05/21/72/1037052172.db2.gz VTHWZASZWDQAJU-UHFFFAOYSA-N 0 0 306.413 4.214 20 10 DICDRN CC[C@@H]([NH2+]CCc1cccc(F)c1F)c1ccc(F)cc1[O-] ZINC000796829552 1037093994 /nfs/dbraw/zinc/09/39/94/1037093994.db2.gz ZRDXGWLPLMULLE-OAHLLOKOSA-N 0 0 309.331 4.093 20 10 DICDRN COc1cc(N(C)C[C@@H](C)C2CCCCC2)cc(OC)c1OC ZINC001167402090 1037138511 /nfs/dbraw/zinc/13/85/11/1037138511.db2.gz IUDGTBPYFJNRIQ-CQSZACIVSA-N 0 0 321.461 4.365 20 10 DICDRN Nc1ccc(Cc2ccccc2Nc2ccc(F)c(O)c2)cc1 ZINC001211220622 1037212911 /nfs/dbraw/zinc/21/29/11/1037212911.db2.gz NFZLSJFITDYSNY-UHFFFAOYSA-N 0 0 308.356 4.448 20 10 DICDRN CC[C@@H]([NH2+]CCC(C)(F)F)c1cc(Br)ccc1O ZINC000386199456 1037225767 /nfs/dbraw/zinc/22/57/67/1037225767.db2.gz SRPKIIVBRHBRLD-LLVKDONJSA-N 0 0 322.193 4.241 20 10 DICDRN CCCCC[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)C(C)C ZINC001125465316 1037254256 /nfs/dbraw/zinc/25/42/56/1037254256.db2.gz UIMMKAMIXKPMTL-MRXNPFEDSA-N 0 0 322.468 4.360 20 10 DICDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)NC2CC2)cc1 ZINC000255223128 1037273142 /nfs/dbraw/zinc/27/31/42/1037273142.db2.gz FJNNLDJTSUQOES-UHFFFAOYSA-N 0 0 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CC(C)c1ncc(/C=C2/SC(=S)N(C3CCC3)C2=O)s1 ZINC000814186212 1041788540 /nfs/dbraw/zinc/78/85/40/1041788540.db2.gz WMVXPWPFQUYORJ-IZZDOVSWSA-N 0 0 324.496 4.020 20 10 DICDRN Cc1ccc(/C=C2/SC(=S)N(C3CCC3)C2=O)cc1Cl ZINC000814185633 1041788617 /nfs/dbraw/zinc/78/86/17/1041788617.db2.gz LTZIHNXDZIWLPZ-MDWZMJQESA-N 0 0 323.870 4.402 20 10 DICDRN O=C1/C(=C/c2ccccc2)SC(=S)N1c1ccccc1F ZINC000814277666 1041802966 /nfs/dbraw/zinc/80/29/66/1041802966.db2.gz QCGZKIXQAKPGML-UVTDQMKNSA-N 0 0 315.394 4.232 20 10 DICDRN CC(C)(C)c1ccc(/C=C2/SC(=S)N(C3CC3)C2=O)cc1 ZINC000814285404 1041804063 /nfs/dbraw/zinc/80/40/63/1041804063.db2.gz UQUWYRZBXVLKRN-GXDHUFHOSA-N 0 0 317.479 4.348 20 10 DICDRN COC[C@@H]1CCN1C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000814484548 1041825268 /nfs/dbraw/zinc/82/52/68/1041825268.db2.gz IRNVMJQYEGWBSS-KRWDZBQOSA-N 0 0 324.384 4.355 20 10 DICDRN CCS[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756643120 1041828546 /nfs/dbraw/zinc/82/85/46/1041828546.db2.gz RNTBWALMMIQQKJ-DJSGYFEHSA-N 0 0 324.446 4.015 20 10 DICDRN CN(Cc1csc(C2CCCC2)n1)c1ccc2c(c1)OCO2 ZINC000756654145 1041839997 /nfs/dbraw/zinc/83/99/97/1041839997.db2.gz IGKVUBNQWBUPSX-UHFFFAOYSA-N 0 0 316.426 4.166 20 10 DICDRN CSCSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000814738457 1041860441 /nfs/dbraw/zinc/86/04/41/1041860441.db2.gz ZYQZIIIWVDITCE-CQSZACIVSA-N 0 0 320.483 4.142 20 10 DICDRN Oc1ccc(Cl)cc1CNc1ccc([C@@H]2CCOC2)cc1 ZINC000815153782 1041921003 /nfs/dbraw/zinc/92/10/03/1041921003.db2.gz IIFPXTFOYZJWHU-CYBMUJFWSA-N 0 0 303.789 4.162 20 10 DICDRN C[C@@H]([NH2+]C[C@H]1Cc2ccccc21)c1cccc(C(F)(F)F)c1[O-] ZINC000815576735 1041965772 /nfs/dbraw/zinc/96/57/72/1041965772.db2.gz XLYUCDAJZLXGBC-DGCLKSJQSA-N 0 0 321.342 4.402 20 10 DICDRN C[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)c1cccc(C(F)(F)F)c1[O-] ZINC000815576737 1041965889 /nfs/dbraw/zinc/96/58/89/1041965889.db2.gz XLYUCDAJZLXGBC-YPMHNXCESA-N 0 0 321.342 4.402 20 10 DICDRN Cc1ncsc1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815576037 1041965931 /nfs/dbraw/zinc/96/59/31/1041965931.db2.gz HOPQTGHNQLSKKB-MRVPVSSYSA-N 0 0 316.348 4.027 20 10 DICDRN C[C@H]([NH2+]CCC(F)(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000815587376 1041968509 /nfs/dbraw/zinc/96/85/09/1041968509.db2.gz IHHNMJDTODYIQE-ZETCQYMHSA-N 0 0 301.230 4.014 20 10 DICDRN CCn1cc(N[C@H](CCc2ccccc2)c2ccccc2O)cn1 ZINC000815609040 1041972885 /nfs/dbraw/zinc/97/28/85/1041972885.db2.gz VCHCANSCIFZEGY-LJQANCHMSA-N 0 0 321.424 4.395 20 10 DICDRN CC(=O)Nc1ccc(N[C@@H](C)c2c(C)cc(C)cc2O)cc1C ZINC000815609757 1041973886 /nfs/dbraw/zinc/97/38/86/1041973886.db2.gz RQUFXBBPXDYOEY-AWEZNQCLSA-N 0 0 312.413 4.449 20 10 DICDRN COc1cc(N[C@@H](C)c2ccc(N(C)C)cc2)cc(OC)c1C ZINC000815631492 1041978631 /nfs/dbraw/zinc/97/86/31/1041978631.db2.gz GBCNNMJJBHNQDY-AWEZNQCLSA-N 0 0 314.429 4.251 20 10 DICDRN C[C@@H](NCC(C)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000815644568 1041983449 /nfs/dbraw/zinc/98/34/49/1041983449.db2.gz GDKZAPCEACHLNB-GFCCVEGCSA-N 0 0 300.368 4.122 20 10 DICDRN C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000815648223 1041984215 /nfs/dbraw/zinc/98/42/15/1041984215.db2.gz HJAZDEQKDBAMAL-RBOXIYTFSA-N 0 0 303.352 4.125 20 10 DICDRN CC[C@@H](NCc1c(F)cc(F)cc1F)c1ccc(N(C)C)cc1 ZINC000815650518 1041985369 /nfs/dbraw/zinc/98/53/69/1041985369.db2.gz TVMWRKJNGPNHQL-GOSISDBHSA-N 0 0 322.374 4.411 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H](OC)C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000815651628 1041985678 /nfs/dbraw/zinc/98/56/78/1041985678.db2.gz YNPVQPGDQNRBOG-CHWSQXEVSA-N 0 0 318.244 4.165 20 10 DICDRN C[C@H](Nc1ccc([C@@H]2CCOC2)cc1)c1cc(F)cc(F)c1O ZINC000815653441 1041987007 /nfs/dbraw/zinc/98/70/07/1041987007.db2.gz MEWIVIITLPFENW-WCQYABFASA-N 0 0 319.351 4.347 20 10 DICDRN CCc1nc(CN(C)Cc2ccc3ccccc3c2O)cs1 ZINC000816497005 1042057873 /nfs/dbraw/zinc/05/78/73/1042057873.db2.gz IZPUGJKBUUHTIA-UHFFFAOYSA-N 0 0 312.438 4.196 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000816540753 1042063786 /nfs/dbraw/zinc/06/37/86/1042063786.db2.gz 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/nfs/dbraw/zinc/07/36/50/1042073650.db2.gz SHQDPFFTMRVGNV-UHFFFAOYSA-N 0 0 318.779 4.264 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(C2CC2)cc1F ZINC000816616606 1042074008 /nfs/dbraw/zinc/07/40/08/1042074008.db2.gz AZWGFGYNXFTOLA-UHFFFAOYSA-N 0 0 323.770 4.491 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000816618805 1042074804 /nfs/dbraw/zinc/07/48/04/1042074804.db2.gz JDMVVGVLJIKDBE-MRXNPFEDSA-N 0 0 301.817 4.329 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)C2(C)CCCCC2)cc1 ZINC001135732700 1042086904 /nfs/dbraw/zinc/08/69/04/1042086904.db2.gz CFMQDYHKYHAEKZ-UHFFFAOYSA-N 0 0 316.489 4.462 20 10 DICDRN CCC[C@H](CC)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC001135746009 1042088094 /nfs/dbraw/zinc/08/80/94/1042088094.db2.gz JXVRIFAOUBDSOM-SFHVURJKSA-N 0 0 316.489 4.462 20 10 DICDRN O=C(Nc1ccccc1-c1ccccc1)c1cccc(O)c1O ZINC000184770464 1042094046 /nfs/dbraw/zinc/09/40/46/1042094046.db2.gz MGOXJWVXHMYNNV-UHFFFAOYSA-N 0 0 305.333 4.017 20 10 DICDRN Cc1cc(COc2ccc(N3CCCCC3)c(Cl)c2)ncn1 ZINC000817381664 1042104627 /nfs/dbraw/zinc/10/46/27/1042104627.db2.gz ITEXSWMRDRXXDS-UHFFFAOYSA-N 0 0 317.820 4.008 20 10 DICDRN CCC[C@@H](CC(C)C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001135914981 1042108242 /nfs/dbraw/zinc/10/82/42/1042108242.db2.gz VWEJSKCSXQNNRY-KRWDZBQOSA-N 0 0 304.478 4.173 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)C2CCC=CCC2)cc1 ZINC001135946357 1042114685 /nfs/dbraw/zinc/11/46/85/1042114685.db2.gz PLHDAOGJGAKIPM-UHFFFAOYSA-N 0 0 314.473 4.238 20 10 DICDRN CC(=O)Nc1ccc(N[C@H](C)c2cc(Cl)ccc2O)cc1C ZINC000756862903 1042135480 /nfs/dbraw/zinc/13/54/80/1042135480.db2.gz FOXDYDBTOSMKHV-LLVKDONJSA-N 0 0 318.804 4.486 20 10 DICDRN Cc1c(N[C@H](C)c2ccc(C)c(C)c2O)cnn1CC(C)C ZINC000756873698 1042144651 /nfs/dbraw/zinc/14/46/51/1042144651.db2.gz ITWWIASBIDFAQX-CQSZACIVSA-N 0 0 301.434 4.343 20 10 DICDRN C[C@@H]([NH2+][C@H]1CC12CC2)c1cc(Br)cc(Cl)c1[O-] ZINC000818357232 1042150918 /nfs/dbraw/zinc/15/09/18/1042150918.db2.gz XDGLNCOKBZGMKB-HQJQHLMTSA-N 0 0 316.626 4.011 20 10 DICDRN Cn1c(-c2ccccc2)cnc1SCc1cn2ccccc2n1 ZINC000005175186 1042170463 /nfs/dbraw/zinc/17/04/63/1042170463.db2.gz VNLRKGDCZOXNCM-UHFFFAOYSA-N 0 0 320.421 4.027 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)/C=C/C1CCCC1 ZINC001136335293 1042213362 /nfs/dbraw/zinc/21/33/62/1042213362.db2.gz VCHUPQLAUKMRPF-SDNWHVSQSA-N 0 0 314.473 4.236 20 10 DICDRN CCN(C(=O)c1ccc(N=NC(N)=O)cc1)c1cc(C)cc(C)c1 ZINC001136350815 1042220945 /nfs/dbraw/zinc/22/09/45/1042220945.db2.gz VOLCDYVWYKKGRA-UHFFFAOYSA-N 0 0 324.384 4.133 20 10 DICDRN CC(=O)Nc1ccc(N[C@@H](C)c2cc(F)ccc2O)cc1Cl ZINC000317632292 1042234797 /nfs/dbraw/zinc/23/47/97/1042234797.db2.gz WPJGBILQYTXICZ-VIFPVBQESA-N 0 0 322.767 4.316 20 10 DICDRN CC1=CC[C@@](C)(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000821843606 1042266119 /nfs/dbraw/zinc/26/61/19/1042266119.db2.gz UCELGBWUJJRNEP-HXUWFJFHSA-N 0 0 312.457 4.040 20 10 DICDRN S=C(NCc1ccccn1)Nc1ccccc1-c1ccccc1 ZINC000107310593 1042267224 /nfs/dbraw/zinc/26/72/24/1042267224.db2.gz AQFQWALSTJDNPM-UHFFFAOYSA-N 0 0 319.433 4.235 20 10 DICDRN Cc1ccc(CN(C)c2ccc(-c3nccs3)cc2)c(C)n1 ZINC001170990539 1042291023 /nfs/dbraw/zinc/29/10/23/1042291023.db2.gz LTUHFGANIPLLHA-UHFFFAOYSA-N 0 0 309.438 4.458 20 10 DICDRN CCCCN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@@H](C)CC ZINC001136636221 1042302695 /nfs/dbraw/zinc/30/26/95/1042302695.db2.gz RGFHDHHQMOTSEE-NSHDSACASA-N 0 0 321.442 4.353 20 10 DICDRN COc1ccc(N(C)CCCOCc2ccccc2)cc1Cl ZINC001167881214 1042327532 /nfs/dbraw/zinc/32/75/32/1042327532.db2.gz JUEJKGNMVNRMRY-UHFFFAOYSA-N 0 0 319.832 4.392 20 10 DICDRN COc1ccc(N(CCSC)CCc2ccccc2)cc1 ZINC001167880485 1042327619 /nfs/dbraw/zinc/32/76/19/1042327619.db2.gz AMYLQTOUXFSKRW-UHFFFAOYSA-N 0 0 301.455 4.107 20 10 DICDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@@H](C)CC(C)(C)C)c1 ZINC000728982190 1042500900 /nfs/dbraw/zinc/50/09/00/1042500900.db2.gz KDXAOTZOWPQBNZ-OLZOCXBDSA-N 0 0 307.434 4.040 20 10 DICDRN O=C1/C(=C\c2cc3ccccc3s2)SC(=S)N1C1CC1 ZINC000758415256 1042502499 /nfs/dbraw/zinc/50/24/99/1042502499.db2.gz HFNWGMOTBWMECY-MDWZMJQESA-N 0 0 317.460 4.265 20 10 DICDRN CCN(C(=O)/C=C/c1cncc(F)c1)c1cccc2ccccc21 ZINC000729347314 1042522536 /nfs/dbraw/zinc/52/25/36/1042522536.db2.gz BFETUGZSHUNCJY-ZHACJKMWSA-N 0 0 320.367 4.440 20 10 DICDRN CN(C)c1ccc(CNc2ccc(OC(F)(F)F)cc2)cc1 ZINC000237094491 1042522881 /nfs/dbraw/zinc/52/28/81/1042522881.db2.gz JDAYLYSQCXACGN-UHFFFAOYSA-N 0 0 310.319 4.263 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc(OC(C)C)nc1)c1ccc(C)cc1O ZINC000280093939 1042563300 /nfs/dbraw/zinc/56/33/00/1042563300.db2.gz MQWNKEAAJXAKHU-KRWDZBQOSA-N 0 0 314.429 4.124 20 10 DICDRN CC[C@@H](Nc1ccc(OC2COC2)cc1)c1ccc(C)cc1O ZINC000280128216 1042565329 /nfs/dbraw/zinc/56/53/29/1042565329.db2.gz ORUOKLFXHCWPSF-GOSISDBHSA-N 0 0 313.397 4.041 20 10 DICDRN CC[C@@H]([NH2+]Cc1cccc2cccnc21)c1ccc(C)cc1O ZINC000280218963 1042567366 /nfs/dbraw/zinc/56/73/66/1042567366.db2.gz UQHREUGJVPWXMG-GOSISDBHSA-N 0 0 306.409 4.490 20 10 DICDRN Cc1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1Cl ZINC001269588909 1042724713 /nfs/dbraw/zinc/72/47/13/1042724713.db2.gz VKBSBTJVZNEXGI-CYBMUJFWSA-N 0 0 316.832 4.205 20 10 DICDRN C[C@@H](CC1CCCC1)[NH2+]Cc1cccc(Br)c1[O-] ZINC000712557246 1042869900 /nfs/dbraw/zinc/86/99/00/1042869900.db2.gz JWGQCMPLDKWLNY-NSHDSACASA-N 0 0 312.251 4.213 20 10 DICDRN COc1ccc(N(C)Cc2csc(Cl)n2)cc1Cl ZINC000828041722 1042911259 /nfs/dbraw/zinc/91/12/59/1042911259.db2.gz WIDIKDSNDWVFCF-UHFFFAOYSA-N 0 0 303.214 4.095 20 10 DICDRN CN(C(=O)CSc1ccc2ccccc2c1)c1ccc(N)cc1 ZINC000319856084 1042915401 /nfs/dbraw/zinc/91/54/01/1042915401.db2.gz QILIHCNRNAIKQV-UHFFFAOYSA-N 0 0 322.433 4.177 20 10 DICDRN COc1ccc(CN[C@@H](COCC(C)C)c2ccco2)cc1C ZINC000237144302 1042946401 /nfs/dbraw/zinc/94/64/01/1042946401.db2.gz HUBZGWWIJHAKJQ-KRWDZBQOSA-N 0 0 317.429 4.100 20 10 DICDRN Cc1ccc(NC(=O)NCc2ccc(N(C)C)cc2)cc1Cl ZINC000018174746 1042949869 /nfs/dbraw/zinc/94/98/69/1042949869.db2.gz QAASAUBXJPPBQO-UHFFFAOYSA-N 0 0 317.820 4.036 20 10 DICDRN COc1cc(C)cc(CNc2cccc(C(C)(F)F)c2)c1O ZINC000894530863 1042965997 /nfs/dbraw/zinc/96/59/97/1042965997.db2.gz OJZHOSXCGGIXOY-UHFFFAOYSA-N 0 0 307.340 4.433 20 10 DICDRN CC[C@H](Nc1cccc(N2CCCC2=O)c1)c1ccc(C)cc1O ZINC000794814344 1043058972 /nfs/dbraw/zinc/05/89/72/1043058972.db2.gz DBJAXMDZZMXBHY-SFHVURJKSA-N 0 0 324.424 4.391 20 10 DICDRN CC[C@H](Nc1cccc2c1CCN2C(C)=O)c1ccc(C)cc1O ZINC000794812763 1043059945 /nfs/dbraw/zinc/05/99/45/1043059945.db2.gz FUJXGYDZICCJLT-KRWDZBQOSA-N 0 0 324.424 4.173 20 10 DICDRN CC[C@@H](Nc1ccccc1OCCOC)c1ccc(C)cc1O ZINC000794819490 1043063629 /nfs/dbraw/zinc/06/36/29/1043063629.db2.gz WZTQZRFYLCFHRP-MRXNPFEDSA-N 0 0 315.413 4.289 20 10 DICDRN Cc1ccc(C)c(NC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC001202765733 1043065628 /nfs/dbraw/zinc/06/56/28/1043065628.db2.gz RJNAQQLUDMPPKJ-UHFFFAOYSA-N 0 0 311.429 4.033 20 10 DICDRN CCOc1cccc(CNc2ccc(OC(C)C)cc2)c1O ZINC000120456037 1043072875 /nfs/dbraw/zinc/07/28/75/1043072875.db2.gz OEHRKWBQSJQTHV-UHFFFAOYSA-N 0 0 301.386 4.190 20 10 DICDRN CC[C@@H](NC(=S)N[C@@H](C)c1ccccc1O)c1cccs1 ZINC000865270580 1043074517 /nfs/dbraw/zinc/07/45/17/1043074517.db2.gz XCDSTOFFZIBFDE-WCQYABFASA-N 0 0 320.483 4.130 20 10 DICDRN Cc1ccc(Cl)c(NC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000120601016 1043111800 /nfs/dbraw/zinc/11/18/00/1043111800.db2.gz AAWAOVUUSOXMRL-UHFFFAOYSA-N 0 0 317.820 4.036 20 10 DICDRN CC[C@H](C)CCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000794851531 1043113232 /nfs/dbraw/zinc/11/32/32/1043113232.db2.gz HUDMEZHJWCQZRB-KRWDZBQOSA-N 0 0 316.489 4.462 20 10 DICDRN COc1cccc(CNc2cccc(F)c2C(C)(F)F)c1O ZINC000865827963 1043136418 /nfs/dbraw/zinc/13/64/18/1043136418.db2.gz HAFLPYWUBRPYNJ-UHFFFAOYSA-N 0 0 311.303 4.264 20 10 DICDRN CSc1nc(N[C@@H](C)c2ccccc2O)cc(C(F)F)n1 ZINC000866239287 1043163822 /nfs/dbraw/zinc/16/38/22/1043163822.db2.gz UFOFIKZMNLCZQJ-QMMMGPOBSA-N 0 0 311.357 4.015 20 10 DICDRN C[C@H](c1ccncc1)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000183713981 1043170247 /nfs/dbraw/zinc/17/02/47/1043170247.db2.gz JPPOOLHSUYECDX-SNVBAGLBSA-N 0 0 311.212 4.287 20 10 DICDRN CCOC(=O)C(=Cc1cc(C)c(C)nc1N[C@H](C)CC)N=[N+]=[N-] ZINC001168000195 1043175556 /nfs/dbraw/zinc/17/55/56/1043175556.db2.gz RPGPGZIAHZYAAJ-RLIURORJSA-N 0 0 317.393 4.123 20 10 DICDRN C[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000185225131 1043195797 /nfs/dbraw/zinc/19/57/97/1043195797.db2.gz PSRYECOBAOYFOI-FASAQXTFSA-N 0 0 315.388 4.102 20 10 DICDRN C[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1ccc(F)cc1[O-] ZINC000185374203 1043201200 /nfs/dbraw/zinc/20/12/00/1043201200.db2.gz UUTOQLHKLAQZMI-JTQLQIEISA-N 0 0 308.422 4.136 20 10 DICDRN Cc1cccnc1[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])C(C)C ZINC000185457729 1043201430 /nfs/dbraw/zinc/20/14/30/1043201430.db2.gz DBOSYQWHTASWPQ-SUMWQHHRSA-N 0 0 302.393 4.283 20 10 DICDRN C[C@H](Nc1cnn2c1CCCC2)c1ccc2ccccc2c1O ZINC000866459961 1043205613 /nfs/dbraw/zinc/20/56/13/1043205613.db2.gz CATUXUKRGVDFBJ-ZDUSSCGKSA-N 0 0 307.397 4.251 20 10 DICDRN Cc1ccc(O)c([C@@H](C)N[C@H](C)c2noc(-c3ccccc3)n2)c1 ZINC000185766731 1043207587 /nfs/dbraw/zinc/20/75/87/1043207587.db2.gz GGOONEFCLKRLKQ-ZIAGYGMSSA-N 0 0 323.396 4.162 20 10 DICDRN COCCC1(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000186134656 1043215710 /nfs/dbraw/zinc/21/57/10/1043215710.db2.gz ZTSFATKRKIBDIT-SNVBAGLBSA-N 0 0 318.244 4.166 20 10 DICDRN COCCOc1ccc(N[C@H](C)c2cc(C)ccc2O)cc1F ZINC000186288541 1043218801 /nfs/dbraw/zinc/21/88/01/1043218801.db2.gz GTPGDDGXYRVJMZ-CYBMUJFWSA-N 0 0 319.376 4.038 20 10 DICDRN COc1ccc(N[C@H](C)c2cc(Cl)ccc2O)cc1OC ZINC000186247921 1043219148 /nfs/dbraw/zinc/21/91/48/1043219148.db2.gz HXMMQDXFCPMQTK-SNVBAGLBSA-N 0 0 307.777 4.236 20 10 DICDRN COc1ccc(O)c([C@@H](C)Nc2ccccc2OCC(F)F)c1 ZINC000186336905 1043220767 /nfs/dbraw/zinc/22/07/67/1043220767.db2.gz GWRCGDBGJOHVAT-LLVKDONJSA-N 0 0 323.339 4.218 20 10 DICDRN COCCCOc1ccccc1N[C@@H](C)c1ccc(F)cc1O ZINC000186425078 1043224913 /nfs/dbraw/zinc/22/49/13/1043224913.db2.gz VZGDHUWJLQQUGF-ZDUSSCGKSA-N 0 0 319.376 4.120 20 10 DICDRN COCCCOc1ccccc1N[C@H](C)c1cc(F)ccc1O ZINC000186425404 1043225386 /nfs/dbraw/zinc/22/53/86/1043225386.db2.gz OIHCDEODPNUXDK-CYBMUJFWSA-N 0 0 319.376 4.120 20 10 DICDRN CC[C@@H]([NH2+][C@H](CF)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000866596375 1043228120 /nfs/dbraw/zinc/22/81/20/1043228120.db2.gz FSJWQGQTWLOJBP-HZPDHXFCSA-N 0 0 309.331 4.422 20 10 DICDRN CCOc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])c1 ZINC000187678395 1043249235 /nfs/dbraw/zinc/24/92/35/1043249235.db2.gz NJPPQAFPDAYKCV-NWDGAFQWSA-N 0 0 321.367 4.481 20 10 DICDRN Cc1cccnc1[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1[O-])C(C)C ZINC000187721406 1043249743 /nfs/dbraw/zinc/24/97/43/1043249743.db2.gz RKGYWHNVHHVSLJ-WBMJQRKESA-N 0 0 320.383 4.422 20 10 DICDRN COc1ccc(N(C)Cc2csc(-c3ccoc3)n2)cc1F ZINC000121695316 1043257116 /nfs/dbraw/zinc/25/71/16/1043257116.db2.gz OGZJPAVRWAOUJX-UHFFFAOYSA-N 0 0 318.373 4.187 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)c2ccoc2C(C)C)cc1 ZINC000794974334 1043257147 /nfs/dbraw/zinc/25/71/47/1043257147.db2.gz KWXPSWRNSRAFJT-UHFFFAOYSA-N 0 0 314.429 4.179 20 10 DICDRN Cc1ccc(O)c(CNc2ccc(N3C[C@H]4CC[C@@H]3C4)cc2)c1 ZINC000192217273 1043266851 /nfs/dbraw/zinc/26/68/51/1043266851.db2.gz HTQKLCWLVKRUQQ-HNAYVOBHSA-N 0 0 308.425 4.301 20 10 DICDRN Cc1noc(C)c1C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192733251 1043275298 /nfs/dbraw/zinc/27/52/98/1043275298.db2.gz OJCRCXLVJVCHAI-SSDOTTSWSA-N 0 0 315.200 4.155 20 10 DICDRN Cc1ncsc1/C=C/C(=O)N1CCCCCc2ccccc21 ZINC001126521469 1043279579 /nfs/dbraw/zinc/27/95/79/1043279579.db2.gz GIPMKTDWZBFUNX-ZHACJKMWSA-N 0 0 312.438 4.224 20 10 DICDRN Cc1c(N[C@@H](C)c2ccc(F)cc2O)cnn1C1CCCC1 ZINC000193389698 1043285072 /nfs/dbraw/zinc/28/50/72/1043285072.db2.gz QAERWJNKWBEQNL-NSHDSACASA-N 0 0 303.381 4.324 20 10 DICDRN CN(C)c1ccc(CN(C(=O)Nc2ccsc2)C2CC2)cc1 ZINC000268648201 1043322721 /nfs/dbraw/zinc/32/27/21/1043322721.db2.gz UBDOUDZSRXQAHY-UHFFFAOYSA-N 0 0 315.442 4.011 20 10 DICDRN CC[C@@H](C)[C@@H](C(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000871202415 1043367184 /nfs/dbraw/zinc/36/71/84/1043367184.db2.gz GXUNSURXCNMRCG-AUUYWEPGSA-N 0 0 309.409 4.064 20 10 DICDRN O=C([C@@H]1CCCC[C@@H]1c1ccccc1)N1Cc2cccc(O)c2C1 ZINC000871204783 1043367191 /nfs/dbraw/zinc/36/71/91/1043367191.db2.gz KWVVUJYJWKLZRI-QZTJIDSGSA-N 0 0 321.420 4.208 20 10 DICDRN CC[C@H](CC1CCCCC1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871203249 1043367212 /nfs/dbraw/zinc/36/72/12/1043367212.db2.gz VLNSNXQWJPFUAF-OAHLLOKOSA-N 0 0 301.430 4.231 20 10 DICDRN CC1(C)C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000269960907 1043376270 /nfs/dbraw/zinc/37/62/70/1043376270.db2.gz VARBFIDLURMRHC-GOSISDBHSA-N 0 0 311.425 4.106 20 10 DICDRN Cc1cc(NCCc2cc(O)c(O)cc2O)cc(C(C)(C)C)c1 ZINC001168014036 1043391310 /nfs/dbraw/zinc/39/13/10/1043391310.db2.gz NSOYUAZAVUKKAD-UHFFFAOYSA-N 0 0 315.413 4.064 20 10 DICDRN Cc1ccc(NC(=O)CNc2ccccc2NC(C)C)c(F)c1 ZINC000871847165 1043404964 /nfs/dbraw/zinc/40/49/64/1043404964.db2.gz MSKGKACIVQRIPH-UHFFFAOYSA-N 0 0 315.392 4.005 20 10 DICDRN Cc1ccc(-c2nnc(CNc3ccccc3NC(C)C)o2)cc1 ZINC000871845475 1043404982 /nfs/dbraw/zinc/40/49/82/1043404982.db2.gz BPNLEPVQHSOKOA-UHFFFAOYSA-N 0 0 322.412 4.477 20 10 DICDRN CC(C)Nc1ccccc1NCc1noc(-c2cccs2)n1 ZINC000871845883 1043405051 /nfs/dbraw/zinc/40/50/51/1043405051.db2.gz LSHXATWHXXQFCE-UHFFFAOYSA-N 0 0 314.414 4.231 20 10 DICDRN CCC(=CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)CC ZINC000759119108 1043409734 /nfs/dbraw/zinc/40/97/34/1043409734.db2.gz VAHVPYNARWPAFE-UHFFFAOYSA-N 0 0 314.473 4.382 20 10 DICDRN C[C@@H](Nc1ccc2c(c1)OC(C)(C)O2)c1ccc(N(C)C)cc1 ZINC000320127680 1043493538 /nfs/dbraw/zinc/49/35/38/1043493538.db2.gz YTIPWMHXVUOIRX-CYBMUJFWSA-N 0 0 312.413 4.433 20 10 DICDRN CCCOc1ccc(CNC(C)(C)c2nccs2)cc1C ZINC000873052820 1043513688 /nfs/dbraw/zinc/51/36/88/1043513688.db2.gz XBPJSSITAPDOJF-UHFFFAOYSA-N 0 0 304.459 4.265 20 10 DICDRN C[C@@H](Nc1ccn(-c2ccccc2)n1)c1ccc(N(C)C)cc1 ZINC000777593862 1043562157 /nfs/dbraw/zinc/56/21/57/1043562157.db2.gz PCWQGNCOBTUOGT-OAHLLOKOSA-N 0 0 306.413 4.111 20 10 DICDRN C[C@H]1CCCC[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001299788530 1043568200 /nfs/dbraw/zinc/56/82/00/1043568200.db2.gz SSUYTJNUMFXTBQ-QFBILLFUSA-N 0 0 314.473 4.119 20 10 DICDRN Cc1ccc(CNc2ccc(NC(=O)CC(C)C)cc2)c(O)c1 ZINC000876820800 1043714277 /nfs/dbraw/zinc/71/42/77/1043714277.db2.gz XYOAKGVUUUJTMH-UHFFFAOYSA-N 0 0 312.413 4.297 20 10 DICDRN Cc1cnc(CNCc2ccc(N(C)C3CCCCC3)cc2)o1 ZINC000876988355 1043731245 /nfs/dbraw/zinc/73/12/45/1043731245.db2.gz CKWFCDDKEJQLBT-UHFFFAOYSA-N 0 0 313.445 4.042 20 10 DICDRN CC(C)Cn1cc(C(=O)N(C)c2ccc(N)cc2)c2ccccc21 ZINC000877075535 1043739233 /nfs/dbraw/zinc/73/92/33/1043739233.db2.gz FNFBNIBLMDKERO-UHFFFAOYSA-N 0 0 321.424 4.156 20 10 DICDRN CCCN1C(=O)CCc2cc(NCc3c(C)cccc3O)ccc21 ZINC000877165532 1043751275 /nfs/dbraw/zinc/75/12/75/1043751275.db2.gz ITHSSOPLZBKTQP-UHFFFAOYSA-N 0 0 324.424 4.002 20 10 DICDRN CC[C@H](Nc1ccc2c(c1)ncn2C)c1ccc(N(C)C)cc1 ZINC000777697606 1043765028 /nfs/dbraw/zinc/76/50/28/1043765028.db2.gz XPXASFVMSCMHRT-KRWDZBQOSA-N 0 0 308.429 4.203 20 10 DICDRN CC[C@@H](Nc1ccc2c(c1)ncn2C)c1ccc(N(C)C)cc1 ZINC000777697607 1043765051 /nfs/dbraw/zinc/76/50/51/1043765051.db2.gz XPXASFVMSCMHRT-QGZVFWFLSA-N 0 0 308.429 4.203 20 10 DICDRN CC(=O)N(c1ccc(NCc2c(C)cccc2O)cc1)[C@H]1C[C@@H]1C ZINC000877555705 1043774134 /nfs/dbraw/zinc/77/41/34/1043774134.db2.gz ZCNNPFWFKAGQCW-LIRRHRJNSA-N 0 0 324.424 4.074 20 10 DICDRN Cn1c(-c2ccccc2)cnc1SCc1ccc2c(c1)COC2 ZINC000777904342 1043922855 /nfs/dbraw/zinc/92/28/55/1043922855.db2.gz LPRGMASABZECRE-UHFFFAOYSA-N 0 0 322.433 4.410 20 10 DICDRN O=C(Nc1ccc2c(c1)C=CCCC2)N1Cc2cccc(O)c2C1 ZINC000931945688 1044088520 /nfs/dbraw/zinc/08/85/20/1044088520.db2.gz GIPZFNUOIMFRCX-UHFFFAOYSA-N 0 0 320.392 4.289 20 10 DICDRN CC1(C)C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C(C)(C)O1 ZINC000778113653 1044156340 /nfs/dbraw/zinc/15/63/40/1044156340.db2.gz JSYDBVILLYDCFY-LBPRGKRZSA-N 0 0 318.244 4.135 20 10 DICDRN C[C@@H]([NH2+]CCCn1ccc2ccccc21)c1ccc(F)cc1[O-] ZINC000320440018 1044172918 /nfs/dbraw/zinc/17/29/18/1044172918.db2.gz CCUGQKUAOQPFTL-CQSZACIVSA-N 0 0 312.388 4.227 20 10 DICDRN Cc1cccc(NC(=O)NCCCSc2nccs2)c1C ZINC000129794911 1044179422 /nfs/dbraw/zinc/17/94/22/1044179422.db2.gz VZUQUYUYTCZONS-UHFFFAOYSA-N 0 0 321.471 4.064 20 10 DICDRN CCc1cnc(CN[C@@H](C)c2ccc(N(C)CC)cc2)s1 ZINC000130456257 1044203100 /nfs/dbraw/zinc/20/31/00/1044203100.db2.gz DHHKSRRQBOJYRZ-ZDUSSCGKSA-N 0 0 303.475 4.012 20 10 DICDRN CSc1ccc([C@@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC000883111246 1044223408 /nfs/dbraw/zinc/22/34/08/1044223408.db2.gz XPEQCWDWBCYSMF-SNVBAGLBSA-N 0 0 309.381 4.243 20 10 DICDRN C[C@@H]([NH2+]CCc1ccns1)c1ccc(Cl)c(Cl)c1[O-] ZINC000883247299 1044243542 /nfs/dbraw/zinc/24/35/42/1044243542.db2.gz FXIACWJFHXUVJD-MRVPVSSYSA-N 0 0 317.241 4.049 20 10 DICDRN CCC(=O)N(C)c1ccc(N[C@H](C)c2cc(F)ccc2O)cc1 ZINC000883315105 1044268401 /nfs/dbraw/zinc/26/84/01/1044268401.db2.gz XYXZPBRUZIWMLJ-GFCCVEGCSA-N 0 0 316.376 4.077 20 10 DICDRN CC[C@H]([NH2+][C@H]1C[C@@H](COC)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000883319583 1044271524 /nfs/dbraw/zinc/27/15/24/1044271524.db2.gz IHXFGMAOQCJEGV-CWSCBRNRSA-N 0 0 318.244 4.165 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000896951708 1044272364 /nfs/dbraw/zinc/27/23/64/1044272364.db2.gz RGQWKSMAZMJDOY-LBPRGKRZSA-N 0 0 315.841 4.093 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccc(C)c(C)n1)c1cccc(Cl)c1[O-] ZINC000840783116 1044281084 /nfs/dbraw/zinc/28/10/84/1044281084.db2.gz HTNYIDYRAUDGBF-MRXNPFEDSA-N 0 0 304.821 4.298 20 10 DICDRN CC[C@@H]([NH2+]C1CCC2(COC2)CC1)c1cccc(Cl)c1[O-] ZINC000883383430 1044297139 /nfs/dbraw/zinc/29/71/39/1044297139.db2.gz YKWPCOWSQPXIFD-OAHLLOKOSA-N 0 0 309.837 4.046 20 10 DICDRN CC(=O)N(c1ccc(NCc2cc(C)ccc2O)cc1)[C@@H]1C[C@@H]1C ZINC000293550708 1044300054 /nfs/dbraw/zinc/30/00/54/1044300054.db2.gz ZADFZJWGMRNVFO-IFXJQAMLSA-N 0 0 324.424 4.074 20 10 DICDRN CCOc1ccc(N[C@H](C)c2cc(C)ccc2O)cc1OC ZINC000192783513 1044308154 /nfs/dbraw/zinc/30/81/54/1044308154.db2.gz HSQLVXGJGSDLPI-CYBMUJFWSA-N 0 0 301.386 4.281 20 10 DICDRN COc1cc(N[C@@H]2CCc3cccc(O)c32)cc(OC)c1Cl ZINC000840813144 1044317003 /nfs/dbraw/zinc/31/70/03/1044317003.db2.gz LQPARWXDJMZJBL-GFCCVEGCSA-N 0 0 319.788 4.162 20 10 DICDRN COCC[C@H](C)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000840836477 1044356471 /nfs/dbraw/zinc/35/64/71/1044356471.db2.gz YKNXOBYCIFZAML-UWVGGRQHSA-N 0 0 306.233 4.022 20 10 DICDRN Cc1cccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1C ZINC000133273443 1044370913 /nfs/dbraw/zinc/37/09/13/1044370913.db2.gz TUQXKBRACQWLEZ-UHFFFAOYSA-N 0 0 321.424 4.001 20 10 DICDRN CC1(C)C[N@H+](Cc2cccc(Cl)c2[O-])[C@H]1c1ccncc1 ZINC000294049145 1044370897 /nfs/dbraw/zinc/37/08/97/1044370897.db2.gz WYDQIFKHLFXLJR-INIZCTEOSA-N 0 0 302.805 4.024 20 10 DICDRN C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000840873360 1044408735 /nfs/dbraw/zinc/40/87/35/1044408735.db2.gz TXRXKQLWWLWRJY-LMLFDSFASA-N 0 0 318.244 4.163 20 10 DICDRN COc1cccc([C@@H](C)[NH2+]Cc2cc(Cl)c(F)cc2[O-])c1 ZINC000294350696 1044409974 /nfs/dbraw/zinc/40/99/74/1044409974.db2.gz SPBPBSBTGPMLDB-SNVBAGLBSA-N 0 0 309.768 4.044 20 10 DICDRN COC1([C@@H](C)[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])CCC1 ZINC000840882903 1044457147 /nfs/dbraw/zinc/45/71/47/1044457147.db2.gz BYCJSOIAYMKGMJ-NXEZZACHSA-N 0 0 318.244 4.307 20 10 DICDRN C[C@H](Nc1ccc([C@H]2CCOC2)cc1)c1ccc(F)cc1O ZINC000294893961 1044468961 /nfs/dbraw/zinc/46/89/61/1044468961.db2.gz FCZRFWSWUZTGOY-JSGCOSHPSA-N 0 0 301.361 4.208 20 10 DICDRN CCN(CCOC1CCCCCC1)c1ccc(OC)c(OC)c1 ZINC001168068952 1044477101 /nfs/dbraw/zinc/47/71/01/1044477101.db2.gz PKMXSIAVBGCRRW-UHFFFAOYSA-N 0 0 321.461 4.270 20 10 DICDRN [O-]c1c(F)cccc1C[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000809735959 1044502803 /nfs/dbraw/zinc/50/28/03/1044502803.db2.gz AZNDXSBSJCZDIN-UHFFFAOYSA-N 0 0 315.363 4.350 20 10 DICDRN Cc1cccc(C(C)C)c1NC(=O)CSc1nccs1 ZINC000047240684 1044612071 /nfs/dbraw/zinc/61/20/71/1044612071.db2.gz SZKATRLYAJYXDY-UHFFFAOYSA-N 0 0 306.456 4.306 20 10 DICDRN COc1ccc(N[C@@H]2CCc3cccc(O)c32)cc1OC(C)C ZINC000296461763 1044620162 /nfs/dbraw/zinc/62/01/62/1044620162.db2.gz NWGJUUQUIACVCX-OAHLLOKOSA-N 0 0 313.397 4.287 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)c1c([O-])cccc1F)c1ccccc1OC ZINC000886501209 1044648339 /nfs/dbraw/zinc/64/83/39/1044648339.db2.gz AXANDJJLVZKYGT-IUODEOHRSA-N 0 0 303.377 4.342 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1ccccc1OC ZINC000886501211 1044648709 /nfs/dbraw/zinc/64/87/09/1044648709.db2.gz AXANDJJLVZKYGT-WFASDCNBSA-N 0 0 303.377 4.342 20 10 DICDRN COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886506149 1044650050 /nfs/dbraw/zinc/65/00/50/1044650050.db2.gz DSVGGCPPWDSVTF-QWRGUYRKSA-N 0 0 307.340 4.091 20 10 DICDRN CC(C)Oc1ccccc1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886508497 1044650382 /nfs/dbraw/zinc/65/03/82/1044650382.db2.gz BNBPTMAOBOQVIN-ZDUSSCGKSA-N 0 0 303.377 4.169 20 10 DICDRN C[C@@H]([NH2+][C@H]1CSCc2ccccc21)c1c([O-])cccc1F ZINC000886516637 1044653187 /nfs/dbraw/zinc/65/31/87/1044653187.db2.gz RHVMBBNLKMOCEA-ABAIWWIYSA-N 0 0 303.402 4.170 20 10 DICDRN CCOc1cccc([C@@H](C)[NH2+][C@H](C)c2c([O-])cccc2F)c1 ZINC000886517655 1044653314 /nfs/dbraw/zinc/65/33/14/1044653314.db2.gz LTAHQIOOBYPMBG-CHWSQXEVSA-N 0 0 303.377 4.342 20 10 DICDRN Oc1cccc2c1[C@@H](Nc1cccc(COCC3CC3)c1)CC2 ZINC000296983415 1044655531 /nfs/dbraw/zinc/65/55/31/1044655531.db2.gz SBNGQEUVSOVFBU-SFHVURJKSA-N 0 0 309.409 4.418 20 10 DICDRN CCC(CC)c1cc(CN[C@H](C)c2c(O)cccc2F)on1 ZINC000886533214 1044656646 /nfs/dbraw/zinc/65/66/46/1044656646.db2.gz WYXFCXJYVQAPBG-LLVKDONJSA-N 0 0 306.381 4.274 20 10 DICDRN CC(C)[C@H](C[NH2+][C@H](C)c1c([O-])cccc1F)c1cccnc1 ZINC000886536739 1044656879 /nfs/dbraw/zinc/65/68/79/1044656879.db2.gz NWCXOSOZIDEIMC-HIFRSBDPSA-N 0 0 302.393 4.017 20 10 DICDRN CCOc1ccc(N[C@H](C)c2c(O)cccc2F)cc1OC ZINC000886581936 1044664732 /nfs/dbraw/zinc/66/47/32/1044664732.db2.gz YKOUXQQNWYDECJ-LLVKDONJSA-N 0 0 305.349 4.112 20 10 DICDRN CO[C@@H]1CCOc2c(N[C@H](C)c3c(O)cccc3F)cccc21 ZINC000886602884 1044668150 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0 312.413 4.069 20 10 DICDRN FC(F)(F)COc1ccccc1CSc1nccs1 ZINC000078963690 1045793173 /nfs/dbraw/zinc/79/31/73/1045793173.db2.gz WPPYRZBYNGLWQR-UHFFFAOYSA-N 0 0 305.346 4.377 20 10 DICDRN Cc1ccc(/C=C/C(=O)N(Cc2ccco2)c2ccccc2)cn1 ZINC000754043159 1045838376 /nfs/dbraw/zinc/83/83/76/1045838376.db2.gz IBSJRSJOFGXKPY-VAWYXSNFSA-N 0 0 318.376 4.230 20 10 DICDRN CCN(C(=O)/C=C\c1ccc(C)nc1)c1cccc(Cl)c1 ZINC000754083996 1045846383 /nfs/dbraw/zinc/84/63/83/1045846383.db2.gz ZHQPPDYYUBDAIZ-KTKRTIGZSA-N 0 0 300.789 4.110 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCC[C@H]1C ZINC000801961292 1045863956 /nfs/dbraw/zinc/86/39/56/1045863956.db2.gz UAJXEVCTVDGOBF-WBVHZDCISA-N 0 0 318.461 4.283 20 10 DICDRN Cc1ccc([C@H](C)Nc2ccc(OC(F)F)nc2)c(O)c1C ZINC000802321170 1045953306 /nfs/dbraw/zinc/95/33/06/1045953306.db2.gz QERJLMVBHWIMEE-NSHDSACASA-N 0 0 308.328 4.179 20 10 DICDRN CC[C@@H](Nc1ccc(OC(F)F)nc1)c1ccc(C)cc1O ZINC000802320297 1045953453 /nfs/dbraw/zinc/95/34/53/1045953453.db2.gz ADFKBUDIRPOTSA-CYBMUJFWSA-N 0 0 308.328 4.260 20 10 DICDRN C[C@H](CCCC(F)(F)F)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000755222303 1045964203 /nfs/dbraw/zinc/96/42/03/1045964203.db2.gz ARNLDVPHSNDDEP-MRVPVSSYSA-N 0 0 313.722 4.395 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)c1ccsc1 ZINC000802387172 1045965089 /nfs/dbraw/zinc/96/50/89/1045965089.db2.gz YSIGNIKBNJVTAA-ZDUSSCGKSA-N 0 0 318.442 4.137 20 10 DICDRN CN(c1ccc(CNC(=O)C=C2CCC2)cc1)C1CCCCC1 ZINC000755248615 1045966448 /nfs/dbraw/zinc/96/64/48/1045966448.db2.gz NTFRWOUXNCHYCK-UHFFFAOYSA-N 0 0 312.457 4.182 20 10 DICDRN [O-]c1cccc(F)c1C[NH+]1CCC2(CCc3ccccc32)CC1 ZINC001137832616 1045977430 /nfs/dbraw/zinc/97/74/30/1045977430.db2.gz BHGOBCKQVSPKPC-UHFFFAOYSA-N 0 0 311.400 4.011 20 10 DICDRN [O-]c1cccc(F)c1C[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001137839215 1045979666 /nfs/dbraw/zinc/97/96/66/1045979666.db2.gz XCZFVHAJWRESGL-CYBMUJFWSA-N 0 0 305.780 4.174 20 10 DICDRN [O-]c1cccc(F)c1C[N@@H+]1CC[C@H](Sc2ccc(F)cc2)C1 ZINC001137839985 1045980444 /nfs/dbraw/zinc/98/04/44/1045980444.db2.gz OONFLYXQDLTOQQ-AWEZNQCLSA-N 0 0 321.392 4.037 20 10 DICDRN [O-]c1cccc(F)c1C[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC001137840193 1045981037 /nfs/dbraw/zinc/98/10/37/1045981037.db2.gz SIZUOFLZMOJVGL-UHFFFAOYSA-N 0 0 317.379 4.125 20 10 DICDRN [O-]c1cccc(F)c1C[NH+]1CCC(n2ccc3ccccc32)CC1 ZINC001137839544 1045981504 /nfs/dbraw/zinc/98/15/04/1045981504.db2.gz CKNGZMFGKYWFLJ-UHFFFAOYSA-N 0 0 324.399 4.323 20 10 DICDRN Cc1cc(/C=C2/SC(=S)N(C3CC3)C2=O)ccc1Cl ZINC000779703460 1045982568 /nfs/dbraw/zinc/98/25/68/1045982568.db2.gz HLEBOUUVOWBDCS-KPKJPENVSA-N 0 0 309.843 4.012 20 10 DICDRN Cc1cc(/C=C2\SC(=S)N(C3CC3)C2=O)ccc1Cl ZINC000779703459 1045983565 /nfs/dbraw/zinc/98/35/65/1045983565.db2.gz HLEBOUUVOWBDCS-GHXNOFRVSA-N 0 0 309.843 4.012 20 10 DICDRN Cc1cc(CN(C)Cc2cscn2)c(C)n1-c1ccccc1 ZINC001137859229 1045988141 /nfs/dbraw/zinc/98/81/41/1045988141.db2.gz OWEKCSHKBNDANY-UHFFFAOYSA-N 0 0 311.454 4.183 20 10 DICDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)CCC(C)(C)C)c1 ZINC000755532841 1045994211 /nfs/dbraw/zinc/99/42/11/1045994211.db2.gz UKXOQLWGSVIDPR-CHWSQXEVSA-N 0 0 307.434 4.040 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)Cc1cc(F)c(F)cc1F ZINC001137893343 1046000754 /nfs/dbraw/zinc/00/07/54/1046000754.db2.gz PGUIFWIIJYGHRK-UHFFFAOYSA-N 0 0 322.374 4.192 20 10 DICDRN C[C@@H](CCCC(F)(F)F)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756081850 1046050456 /nfs/dbraw/zinc/05/04/56/1046050456.db2.gz YTCKRWDLUQMOHI-IUCAKERBSA-N 0 0 311.294 4.442 20 10 DICDRN C[C@H](CCCC(F)(F)F)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000756147461 1046055264 /nfs/dbraw/zinc/05/52/64/1046055264.db2.gz QWQFWBPLOQXIKS-MRVPVSSYSA-N 0 0 313.722 4.395 20 10 DICDRN C[C@@H](CCCC(F)(F)F)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000756147462 1046056382 /nfs/dbraw/zinc/05/63/82/1046056382.db2.gz QWQFWBPLOQXIKS-QMMMGPOBSA-N 0 0 313.722 4.395 20 10 DICDRN C[C@@H]([NH2+][C@H]1CCCc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000756340125 1046064129 /nfs/dbraw/zinc/06/41/29/1046064129.db2.gz DGUKWLGLYNEPAB-DIFFPNOSSA-N 0 0 303.352 4.399 20 10 DICDRN CCC[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756338820 1046065680 /nfs/dbraw/zinc/06/56/80/1046065680.db2.gz AOXMDJRPGDJNNF-BDAKNGLRSA-N 0 0 304.203 4.133 20 10 DICDRN CCC[C@@H](C)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756343266 1046068295 /nfs/dbraw/zinc/06/82/95/1046068295.db2.gz YOACLVMAMHNBKB-RKDXNWHRSA-N 0 0 304.203 4.133 20 10 DICDRN C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1ccc(F)cc1F ZINC000756354596 1046070328 /nfs/dbraw/zinc/07/03/28/1046070328.db2.gz FWKSJFDOTMTEIN-IUCAKERBSA-N 0 0 313.294 4.360 20 10 DICDRN COCCOc1cc(C)ccc1N[C@@H](C)c1ccc(C)cc1O ZINC000193909377 1046079703 /nfs/dbraw/zinc/07/97/03/1046079703.db2.gz FCGSDKZFPCKMQR-HNNXBMFYSA-N 0 0 315.413 4.207 20 10 DICDRN C[C@H]([NH2+]CC1(c2ccc(F)cc2)CC1)c1ccc(F)cc1[O-] ZINC000756417203 1046079837 /nfs/dbraw/zinc/07/98/37/1046079837.db2.gz LBYRFOLIRJXMNF-LBPRGKRZSA-N 0 0 303.352 4.053 20 10 DICDRN CC[C@@H](Nc1ccc(C)cc1OCCOC)c1ccccc1O ZINC000193908673 1046080910 /nfs/dbraw/zinc/08/09/10/1046080910.db2.gz XSSIWJDXMMCBDV-MRXNPFEDSA-N 0 0 315.413 4.289 20 10 DICDRN Cc1nc(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])cs1 ZINC000756434180 1046081351 /nfs/dbraw/zinc/08/13/51/1046081351.db2.gz JCUXJOQLORHOSD-SSDOTTSWSA-N 0 0 317.241 4.315 20 10 DICDRN COc1cccc([C@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756434175 1046082277 /nfs/dbraw/zinc/08/22/77/1046082277.db2.gz IYMSUPGTNFTWNF-QWRGUYRKSA-N 0 0 307.340 4.091 20 10 DICDRN CCOc1ccc(N[C@H](C)c2cc(OC)ccc2O)c(C)c1 ZINC000193914995 1046082785 /nfs/dbraw/zinc/08/27/85/1046082785.db2.gz RIQIJLGVPPJVHR-CYBMUJFWSA-N 0 0 301.386 4.281 20 10 DICDRN CC(C)COc1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000756455796 1046083649 /nfs/dbraw/zinc/08/36/49/1046083649.db2.gz UYWITWUYBKEDCC-AWEZNQCLSA-N 0 0 317.404 4.417 20 10 DICDRN C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1cc(Br)cc(Cl)c1[O-] ZINC000756457213 1046083751 /nfs/dbraw/zinc/08/37/51/1046083751.db2.gz QQNWXHPFNMKBEX-CIUDSAMLSA-N 0 0 318.642 4.115 20 10 DICDRN Cc1ccccc1C[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756480262 1046087393 /nfs/dbraw/zinc/08/73/93/1046087393.db2.gz UKMHHFBBKXPFSB-QWHCGFSZSA-N 0 0 305.368 4.261 20 10 DICDRN C[C@@H]([NH2+]Cc1cc2c(s1)CCCC2)c1cc(F)cc(F)c1[O-] ZINC000756482848 1046087966 /nfs/dbraw/zinc/08/79/66/1046087966.db2.gz JGAXHXCFNMKZIC-SNVBAGLBSA-N 0 0 323.408 4.462 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CSCc2ccccc21)c1ccc(F)cc1[O-] ZINC000756487186 1046088637 /nfs/dbraw/zinc/08/86/37/1046088637.db2.gz IKBLTCZRZXZKIG-BDJLRTHQSA-N 0 0 303.402 4.170 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1cc(F)cc(F)c1[O-] ZINC000756491134 1046089042 /nfs/dbraw/zinc/08/90/42/1046089042.db2.gz SUEPHXASTRSHKF-JDNHERCYSA-N 0 0 307.315 4.148 20 10 DICDRN C[C@H]([NH2+][C@H]1CSCc2ccccc21)c1ccc(F)cc1[O-] ZINC000756487204 1046089494 /nfs/dbraw/zinc/08/94/94/1046089494.db2.gz IKBLTCZRZXZKIG-ZBEGNZNMSA-N 0 0 303.402 4.170 20 10 DICDRN C[C@H]([NH2+][C@H]1CSCc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000756487174 1046089528 /nfs/dbraw/zinc/08/95/28/1046089528.db2.gz IJDVMYGMYSKRJR-QFYYESIMSA-N 0 0 321.392 4.309 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCCOc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000756515903 1046094714 /nfs/dbraw/zinc/09/47/14/1046094714.db2.gz GQKXYCNGBMLQLW-MEDUHNTESA-N 0 0 319.351 4.235 20 10 DICDRN Cc1ncsc1C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756549484 1046098328 /nfs/dbraw/zinc/09/83/28/1046098328.db2.gz NXVVUYRFWQRLJM-SSDOTTSWSA-N 0 0 317.241 4.315 20 10 DICDRN CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])Nc1ccccc1 ZINC000756555983 1046101178 /nfs/dbraw/zinc/10/11/78/1046101178.db2.gz NPVMHMFWTWDVRI-KBXCAEBGSA-N 0 0 316.420 4.319 20 10 DICDRN CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756578604 1046102811 /nfs/dbraw/zinc/10/28/11/1046102811.db2.gz XFPLXDTVIKYUAX-AMJWSMQMSA-N 0 0 320.260 4.147 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CSc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000756588778 1046104760 /nfs/dbraw/zinc/10/47/60/1046104760.db2.gz IOQBVLKTSBSCJE-YMTOWFKASA-N 0 0 307.365 4.168 20 10 DICDRN [O-]c1c(F)cccc1C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC001138128404 1046106455 /nfs/dbraw/zinc/10/64/55/1046106455.db2.gz HZBGFKUWGCTIDN-UHFFFAOYSA-N 0 0 317.379 4.125 20 10 DICDRN Cc1cccc(O[C@@H](C)C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756608121 1046108216 /nfs/dbraw/zinc/10/82/16/1046108216.db2.gz IPYQMHBZUDVIJS-QWHCGFSZSA-N 0 0 321.367 4.097 20 10 DICDRN Cc1ccc(CC[C@@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])o1 ZINC000756609308 1046108844 /nfs/dbraw/zinc/10/88/44/1046108844.db2.gz MPXUZASWXKPQMN-PWSUYJOCSA-N 0 0 309.356 4.244 20 10 DICDRN CCC(CC)(C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])SC ZINC000756617963 1046110702 /nfs/dbraw/zinc/11/07/02/1046110702.db2.gz QWVLKSCTGLXMTB-SNVBAGLBSA-N 0 0 303.418 4.243 20 10 DICDRN CO[C@H](C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-])C(C)(C)C ZINC000756628014 1046112417 /nfs/dbraw/zinc/11/24/17/1046112417.db2.gz UPCLJYDDONZGMF-BXKDBHETSA-N 0 0 320.260 4.411 20 10 DICDRN CSc1ccc(F)cc1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756627963 1046112631 /nfs/dbraw/zinc/11/26/31/1046112631.db2.gz STVBCQBQNYUJGI-JTQLQIEISA-N 0 0 309.381 4.243 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@@H](C)c1ccccc1 ZINC000756638924 1046114893 /nfs/dbraw/zinc/11/48/93/1046114893.db2.gz XFDBAORLDFAAIS-MCIONIFRSA-N 0 0 314.385 4.143 20 10 DICDRN COc1cccc2c1CC[C@H]2[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756645475 1046116532 /nfs/dbraw/zinc/11/65/32/1046116532.db2.gz GGTFZLSUNATIDR-MGPLVRAMSA-N 0 0 319.351 4.017 20 10 DICDRN CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])C1(C)C ZINC000756646684 1046116708 /nfs/dbraw/zinc/11/67/08/1046116708.db2.gz CQSZFKGDAXLQID-KPXOXKRLSA-N 0 0 318.244 4.163 20 10 DICDRN CCOc1cc(C)ccc1C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756649306 1046117565 /nfs/dbraw/zinc/11/75/65/1046117565.db2.gz DJGILQAGVPADFI-LBPRGKRZSA-N 0 0 321.367 4.228 20 10 DICDRN CSc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756649323 1046117694 /nfs/dbraw/zinc/11/76/94/1046117694.db2.gz DVERDEFBFNFNLO-GFCCVEGCSA-N 0 0 305.418 4.412 20 10 DICDRN CCOc1cc(C)ccc1C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756649305 1046118523 /nfs/dbraw/zinc/11/85/23/1046118523.db2.gz DJGILQAGVPADFI-GFCCVEGCSA-N 0 0 321.367 4.228 20 10 DICDRN CC(C)[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])c1cccnc1 ZINC000756648777 1046118737 /nfs/dbraw/zinc/11/87/37/1046118737.db2.gz KGCCFVHZGFVHLM-WBMJQRKESA-N 0 0 320.383 4.156 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1cc(Br)cc(F)c1[O-] ZINC000756684343 1046119927 /nfs/dbraw/zinc/11/99/27/1046119927.db2.gz NMDUFDKQDCOTBD-VYUIOLGVSA-N 0 0 316.214 4.133 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1cc(Br)cc(F)c1[O-] ZINC000756684333 1046120764 /nfs/dbraw/zinc/12/07/64/1046120764.db2.gz NMDUFDKQDCOTBD-MWODSPESSA-N 0 0 316.214 4.133 20 10 DICDRN C[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)CC1(F)F ZINC001138215727 1046120817 /nfs/dbraw/zinc/12/08/17/1046120817.db2.gz RNHJOOZCYFXPMJ-HNNXBMFYSA-N 0 0 308.416 4.154 20 10 DICDRN Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756681411 1046120253 /nfs/dbraw/zinc/12/02/53/1046120253.db2.gz AURXRMIKDIIGNU-ZBEGNZNMSA-N 0 0 319.351 4.072 20 10 DICDRN Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756682471 1046120837 /nfs/dbraw/zinc/12/08/37/1046120837.db2.gz HFGAMUISXQULHI-GTNSWQLSSA-N 0 0 303.352 4.317 20 10 DICDRN C[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1cc(F)cc(F)c1[O-] ZINC000756709488 1046122434 /nfs/dbraw/zinc/12/24/34/1046122434.db2.gz XKVUXVDFMAKBIM-ABKXIKBNSA-N 0 0 307.315 4.148 20 10 DICDRN Cc1cc([C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])ccc1F ZINC000756738437 1046124699 /nfs/dbraw/zinc/12/46/99/1046124699.db2.gz HDOORWKODRIORB-NEPJUHHUSA-N 0 0 318.348 4.160 20 10 DICDRN C[C@@H]([NH2+]CCC1CCC1)c1cc(Br)cc(F)c1[O-] ZINC000756742071 1046126106 /nfs/dbraw/zinc/12/61/06/1046126106.db2.gz JQCRIJROXMLGNJ-SECBINFHSA-N 0 0 316.214 4.135 20 10 DICDRN CCC(CC)(CO)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756771200 1046129657 /nfs/dbraw/zinc/12/96/57/1046129657.db2.gz SGZJCPRMMLJSEF-JTQLQIEISA-N 0 0 320.260 4.148 20 10 DICDRN CCCCCn1cc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])c(C)n1 ZINC000756774282 1046131640 /nfs/dbraw/zinc/13/16/40/1046131640.db2.gz HWJXKXBIHKCVSG-CQSZACIVSA-N 0 0 319.424 4.077 20 10 DICDRN C[C@@H](Nc1ccc(N2CCCC2)c(F)c1)c1ccccc1O ZINC000193913910 1046135276 /nfs/dbraw/zinc/13/52/76/1046135276.db2.gz JVUIMIMAOLZFIJ-CYBMUJFWSA-N 0 0 300.377 4.305 20 10 DICDRN COc1cc(F)ccc1N[C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756793012 1046135143 /nfs/dbraw/zinc/13/51/43/1046135143.db2.gz SQIADKMPDDUPSH-NOZJJQNGSA-N 0 0 305.324 4.339 20 10 DICDRN CC[C@@H](CSC)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756790920 1046135159 /nfs/dbraw/zinc/13/51/59/1046135159.db2.gz PTDCZIXELMFWAC-BDAKNGLRSA-N 0 0 308.274 4.491 20 10 DICDRN COc1ccc(N[C@H](C)c2ccc(C)c(C)c2O)c(OC)c1 ZINC000756790796 1046135512 /nfs/dbraw/zinc/13/55/12/1046135512.db2.gz SCEUTLCXXWRNEC-CYBMUJFWSA-N 0 0 301.386 4.199 20 10 DICDRN CCc1cnccc1[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756786858 1046135555 /nfs/dbraw/zinc/13/55/55/1046135555.db2.gz LXOWDQUHSLSTHC-WDEREUQCSA-N 0 0 306.356 4.040 20 10 DICDRN COc1cc(C)c(N[C@H](C)c2cc(F)cc(F)c2O)cc1OC ZINC000756791005 1046135706 /nfs/dbraw/zinc/13/57/06/1046135706.db2.gz DFLTUVCTUANCRG-SNVBAGLBSA-N 0 0 323.339 4.169 20 10 DICDRN CC(=O)Nc1cc(N[C@H](C)c2cc(F)cc(F)c2O)ccc1C ZINC000756802937 1046137016 /nfs/dbraw/zinc/13/70/16/1046137016.db2.gz LXRIMCMBSDWKGV-SNVBAGLBSA-N 0 0 320.339 4.110 20 10 DICDRN C[C@@H](Nc1ccc(OC(F)F)cc1)c1cc(F)cc(F)c1O ZINC000756795070 1046137636 /nfs/dbraw/zinc/13/76/36/1046137636.db2.gz NPYANHWSTSTTGH-MRVPVSSYSA-N 0 0 315.266 4.445 20 10 DICDRN COc1ccc(C2([NH2+][C@H](C)c3cc(F)cc(F)c3[O-])CC2)cc1 ZINC000756818361 1046138824 /nfs/dbraw/zinc/13/88/24/1046138824.db2.gz ODVQOHUDFQMXJW-LLVKDONJSA-N 0 0 319.351 4.019 20 10 DICDRN COc1c(F)cc(N[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)cc1F ZINC000756814333 1046138852 /nfs/dbraw/zinc/13/88/52/1046138852.db2.gz KDUCPJPRQTWBGP-AMIZOPFISA-N 0 0 323.314 4.479 20 10 DICDRN CCOc1cc(N[C@H](C)c2cc(F)cc(F)c2O)ccc1OC ZINC000756804920 1046139164 /nfs/dbraw/zinc/13/91/64/1046139164.db2.gz OPTQQZQGBJVKEE-SNVBAGLBSA-N 0 0 323.339 4.251 20 10 DICDRN Cc1ccc(O)c([C@H](C)Nc2ccc(N3CCCCC3)cn2)c1 ZINC000756814768 1046139315 /nfs/dbraw/zinc/13/93/15/1046139315.db2.gz LHYWPHUZDWZTOF-HNNXBMFYSA-N 0 0 311.429 4.259 20 10 DICDRN C[C@@H]1CCC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC001138296403 1046139479 /nfs/dbraw/zinc/13/94/79/1046139479.db2.gz ZBWBSQXOPBNTEJ-PWSUYJOCSA-N 0 0 319.426 4.011 20 10 DICDRN COCCOc1ccc(N[C@@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000756819204 1046140417 /nfs/dbraw/zinc/14/04/17/1046140417.db2.gz LPNBNBFRWLJCQV-HNNXBMFYSA-N 0 0 315.413 4.207 20 10 DICDRN COc1ccc(O)c([C@H](C)Nc2ccc(OCC(F)F)cc2)c1 ZINC000756840577 1046141549 /nfs/dbraw/zinc/14/15/49/1046141549.db2.gz XTDVMNYJCOOJRN-NSHDSACASA-N 0 0 323.339 4.218 20 10 DICDRN CC(C)CCn1ccc(N[C@H]2C[C@H](C)c3c2c(O)ccc3F)n1 ZINC000756849556 1046141656 /nfs/dbraw/zinc/14/16/56/1046141656.db2.gz BWAOGSLSFXCPEK-JSGCOSHPSA-N 0 0 317.408 4.434 20 10 DICDRN CSc1ccc(N[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)nc1 ZINC000756844771 1046141744 /nfs/dbraw/zinc/14/17/44/1046141744.db2.gz MEVVHNSLEFHDBG-BXKDBHETSA-N 0 0 304.390 4.309 20 10 DICDRN CC(C)c1ccc2c(c1)[C@H](NC(=O)Cc1ccc(N)cc1)CCC2 ZINC000831481509 1046142736 /nfs/dbraw/zinc/14/27/36/1046142736.db2.gz PTHDWMMVZKZTRS-HXUWFJFHSA-N 0 0 322.452 4.129 20 10 DICDRN Cc1oc(C(C)C)cc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000803121110 1046143299 /nfs/dbraw/zinc/14/32/99/1046143299.db2.gz OBQWQUMYOVHVOH-ZDUSSCGKSA-N 0 0 314.429 4.268 20 10 DICDRN CC(C)Cn1cc(N[C@@H](C)c2cc3c(cc2O)CCCC3)cn1 ZINC000756854999 1046143596 /nfs/dbraw/zinc/14/35/96/1046143596.db2.gz IZCQHMIMQIWDEW-AWEZNQCLSA-N 0 0 313.445 4.297 20 10 DICDRN CCc1c(N[C@H](C)c2cc(F)ccc2O)cnn1CC(C)C ZINC000756854221 1046143904 /nfs/dbraw/zinc/14/39/04/1046143904.db2.gz DENSXTVJDDJBRK-GFCCVEGCSA-N 0 0 305.397 4.119 20 10 DICDRN C[C@H](Nc1cc(F)ccc1OC(F)F)c1ccc(F)cc1O ZINC000756850628 1046143932 /nfs/dbraw/zinc/14/39/32/1046143932.db2.gz NMLHEGVIWUXKJG-QMMMGPOBSA-N 0 0 315.266 4.445 20 10 DICDRN Cc1ccc([C@H](C)Nc2cnn(Cc3ccccc3)c2)c(O)c1C ZINC000756865569 1046145837 /nfs/dbraw/zinc/14/58/37/1046145837.db2.gz RJARIWPQZPRAIW-INIZCTEOSA-N 0 0 321.424 4.427 20 10 DICDRN Cc1ccc([C@@H](C)Nc2cncc(Br)c2)c(O)c1C ZINC000756859447 1046145868 /nfs/dbraw/zinc/14/58/68/1046145868.db2.gz SAQQBRAGZKFECP-LLVKDONJSA-N 0 0 321.218 4.340 20 10 DICDRN CC(=O)Nc1ccc(N[C@H](C)c2cc(F)cc(F)c2O)cc1C ZINC000756866282 1046146063 /nfs/dbraw/zinc/14/60/63/1046146063.db2.gz ZDZMSZBNDQZFOB-SNVBAGLBSA-N 0 0 320.339 4.110 20 10 DICDRN C[C@H](Nc1ccn(-c2ccccc2)n1)c1cc(Cl)ccc1O ZINC000756865171 1046146126 /nfs/dbraw/zinc/14/61/26/1046146126.db2.gz CGCUQUMWNFWPLS-LBPRGKRZSA-N 0 0 313.788 4.404 20 10 DICDRN C[C@@H](Nc1ccccc1OC(F)F)c1cc(F)cc(F)c1O ZINC000756870292 1046147671 /nfs/dbraw/zinc/14/76/71/1046147671.db2.gz HVYQENQBKCUZNA-MRVPVSSYSA-N 0 0 315.266 4.445 20 10 DICDRN CCCCn1ncc(N[C@H]2C[C@@H](C)c3c2c(O)ccc3F)c1C ZINC000756874479 1046148014 /nfs/dbraw/zinc/14/80/14/1046148014.db2.gz PQSUONCVFYWBRH-RISCZKNCSA-N 0 0 317.408 4.497 20 10 DICDRN Cc1cc(N[C@H](C)c2cc(F)cc(F)c2O)ccc1N(C)C ZINC000756893591 1046148920 /nfs/dbraw/zinc/14/89/20/1046148920.db2.gz VWXWMKVXJWALHZ-LLVKDONJSA-N 0 0 306.356 4.218 20 10 DICDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCCF ZINC000831706884 1046161565 /nfs/dbraw/zinc/16/15/65/1046161565.db2.gz OHVFJVGTTUSKRM-OAHLLOKOSA-N 0 0 315.388 4.232 20 10 DICDRN COc1c(F)cc(F)cc1N[C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000757595502 1046189512 /nfs/dbraw/zinc/18/95/12/1046189512.db2.gz VBOJDPJPYBHZKL-UFBFGSQYSA-N 0 0 323.314 4.479 20 10 DICDRN C[C@H](Nc1cccc2ccncc21)c1cc(F)cc(F)c1O ZINC000757610086 1046192663 /nfs/dbraw/zinc/19/26/63/1046192663.db2.gz HROOJFUZQMKXEK-JTQLQIEISA-N 0 0 300.308 4.392 20 10 DICDRN C[C@@H]1C[C@@H](Nc2cccc(CCCO)c2)c2c1c(F)ccc2O ZINC000757640951 1046197327 /nfs/dbraw/zinc/19/73/27/1046197327.db2.gz VYLLBRHQGLZKCF-MLGOLLRUSA-N 0 0 315.388 4.117 20 10 DICDRN CS[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C(C)(C)C ZINC000757652494 1046197728 /nfs/dbraw/zinc/19/77/28/1046197728.db2.gz AUNOHIOJDIQOEV-NOZJJQNGSA-N 0 0 303.418 4.099 20 10 DICDRN COc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1C ZINC000903235209 1046203298 /nfs/dbraw/zinc/20/32/98/1046203298.db2.gz VCDWNAWTFSUKFR-VXGBXAGGSA-N 0 0 321.367 4.399 20 10 DICDRN CC[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1cccc(Cl)c1[O-] ZINC000903263114 1046212648 /nfs/dbraw/zinc/21/26/48/1046212648.db2.gz JENFTRJLIBOWAR-RCBQFDQVSA-N 0 0 311.853 4.028 20 10 DICDRN CC[C@H](N[C@@H]1c2ccccc2OC[C@H]1F)c1ccc(C)cc1O ZINC000903271063 1046215801 /nfs/dbraw/zinc/21/58/01/1046215801.db2.gz GWSCLKLDKWNSOR-JTDSTZFVSA-N 0 0 315.388 4.213 20 10 DICDRN Cc1cc(C)c([C@H](C)N[C@@H]2c3ccccc3OC[C@H]2F)c(O)c1 ZINC000903273323 1046215899 /nfs/dbraw/zinc/21/58/99/1046215899.db2.gz WRQXYCYNVICNIS-ZBQZNYHESA-N 0 0 315.388 4.131 20 10 DICDRN CC[C@@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1cccc(Cl)c1[O-] ZINC000903284355 1046221426 /nfs/dbraw/zinc/22/14/26/1046221426.db2.gz WTFCHLGIWJKSEZ-FGUMPLJBSA-N 0 0 309.837 4.044 20 10 DICDRN CC[C@@H]([NH2+][C@@H](c1ncccn1)C1CC1)c1cccc(Cl)c1[O-] ZINC000903323900 1046239943 /nfs/dbraw/zinc/23/99/43/1046239943.db2.gz ODTZFLUJINURFX-HUUCEWRRSA-N 0 0 317.820 4.028 20 10 DICDRN COc1ccc(CNc2ccnc3cc(Cl)ccc32)c(O)c1 ZINC000795284928 1046241832 /nfs/dbraw/zinc/24/18/32/1046241832.db2.gz NKGZVIGXKRBEKN-UHFFFAOYSA-N 0 0 314.772 4.215 20 10 DICDRN COc1ccc(CNc2nc(-c3ccccc3)cs2)c(O)c1 ZINC000795291814 1046243914 /nfs/dbraw/zinc/24/39/14/1046243914.db2.gz CSUKWPBVJNKCLJ-UHFFFAOYSA-N 0 0 312.394 4.136 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)CCCOC(C)(C)C ZINC000803389747 1046246096 /nfs/dbraw/zinc/24/60/96/1046246096.db2.gz IYLUKEMHTRASCH-UHFFFAOYSA-N 0 0 321.461 4.116 20 10 DICDRN CCN(C(=O)/C=C\c1ccc(Cl)nc1)c1ccc(F)c(F)c1 ZINC000758356603 1046262727 /nfs/dbraw/zinc/26/27/27/1046262727.db2.gz JKZRRRVRCOTSJI-YWEYNIOJSA-N 0 0 322.742 4.080 20 10 DICDRN Cc1ccc(N(C)C(=O)/C=C/c2ccc(Cl)nc2)cc1C ZINC000758562809 1046278792 /nfs/dbraw/zinc/27/87/92/1046278792.db2.gz MPVVYYVHSHBMDV-RMKNXTFCSA-N 0 0 300.789 4.028 20 10 DICDRN Cc1cccc(N(C)C(=O)/C=C\c2ccc(Cl)nc2)c1C ZINC000758571130 1046279918 /nfs/dbraw/zinc/27/99/18/1046279918.db2.gz ASFBJQVZEIDNMN-NTMALXAHSA-N 0 0 300.789 4.028 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000758724192 1046288592 /nfs/dbraw/zinc/28/85/92/1046288592.db2.gz KJNRLNXVUXZXHQ-HLLBOEOZSA-N 0 0 318.461 4.139 20 10 DICDRN CC(C)Cn1ccc2cc(NC(=O)Cc3ccc(N)cc3)ccc21 ZINC000263287163 1046294160 /nfs/dbraw/zinc/29/41/60/1046294160.db2.gz VBOMSHMBTIZHNA-UHFFFAOYSA-N 0 0 321.424 4.061 20 10 DICDRN C[C@@H](Nc1ccc(N2CCCCC2)nc1)c1cc(F)ccc1O ZINC000321497752 1046302613 /nfs/dbraw/zinc/30/26/13/1046302613.db2.gz IPIYZQNRYSGHLA-CYBMUJFWSA-N 0 0 315.392 4.090 20 10 DICDRN CCOc1ccc(NCc2cc(OC)ccc2O)cc1Cl ZINC000037773483 1046335532 /nfs/dbraw/zinc/33/55/32/1046335532.db2.gz OQLXIZQHIYRJIL-UHFFFAOYSA-N 0 0 307.777 4.065 20 10 DICDRN CCc1noc(C)c1CN(c1ccc(OC)c(F)c1)C(C)C ZINC000163392294 1046358694 /nfs/dbraw/zinc/35/86/94/1046358694.db2.gz ABLXWXXCVQPLHF-UHFFFAOYSA-N 0 0 306.381 4.108 20 10 DICDRN Oc1cccc(Cl)c1CNc1ccc(OCC(F)F)cc1 ZINC000748239079 1046362006 /nfs/dbraw/zinc/36/20/06/1046362006.db2.gz OOLYSNXAWCKUPQ-UHFFFAOYSA-N 0 0 313.731 4.302 20 10 DICDRN CN(C)c1ccc(CNc2ccc(OCC(F)F)cc2)cc1 ZINC000748239716 1046362738 /nfs/dbraw/zinc/36/27/38/1046362738.db2.gz QDZXLLFJTYPUOS-UHFFFAOYSA-N 0 0 306.356 4.009 20 10 DICDRN C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC000759594939 1046365248 /nfs/dbraw/zinc/36/52/48/1046365248.db2.gz ORJJYEWSXNLQKN-DKSFEKEHSA-N 0 0 318.756 4.069 20 10 DICDRN O=C(NCc1ccccc1O)Nc1ccccc1-c1cccs1 ZINC000748444123 1046376285 /nfs/dbraw/zinc/37/62/85/1046376285.db2.gz VUIYLHBVCFRWRW-UHFFFAOYSA-N 0 0 324.405 4.442 20 10 DICDRN CN(Cc1cnc(C2CCCC2)s1)c1ccc2c(c1)OCO2 ZINC000780778478 1046378263 /nfs/dbraw/zinc/37/82/63/1046378263.db2.gz LPFAWFASADMBCJ-UHFFFAOYSA-N 0 0 316.426 4.166 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001139124080 1046391287 /nfs/dbraw/zinc/39/12/87/1046391287.db2.gz ORFQYSJXHXZUCM-BJWYYQGGSA-N 0 0 315.457 4.347 20 10 DICDRN COc1ccc2c(c1)CCCN2Cc1cncc2ccccc21 ZINC000780765894 1046403490 /nfs/dbraw/zinc/40/34/90/1046403490.db2.gz ACTDCCHKBDVHMZ-UHFFFAOYSA-N 0 0 304.393 4.196 20 10 DICDRN COc1ccc(N(C)Cc2cnc(C(C)(C)C)s2)cc1F ZINC000780779499 1046404927 /nfs/dbraw/zinc/40/49/27/1046404927.db2.gz HYQZDKIZLPQUQV-UHFFFAOYSA-N 0 0 308.422 4.225 20 10 DICDRN CC(C)c1ccc(N(C)Cc2c[nH]nc2-c2cccnc2)cc1 ZINC000780779638 1046405053 /nfs/dbraw/zinc/40/50/53/1046405053.db2.gz QOCYAIBOXITUSL-UHFFFAOYSA-N 0 0 306.413 4.232 20 10 DICDRN Cc1ccc(C(=O)Nc2ccccc2SC(C)C)c(O)c1O ZINC000780970763 1046415019 /nfs/dbraw/zinc/41/50/19/1046415019.db2.gz ZURBIRCPGJFRIG-UHFFFAOYSA-N 0 0 317.410 4.159 20 10 DICDRN O=C(/C=C\c1cccnc1)N1CC2(CCCC2)c2c1cccc2F ZINC000749150968 1046433520 /nfs/dbraw/zinc/43/35/20/1046433520.db2.gz OEZMDBDIZQGDPF-HJWRWDBZSA-N 0 0 322.383 4.093 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)Cc1cc(C)cnc1Cl ZINC001139592462 1046480187 /nfs/dbraw/zinc/48/01/87/1046480187.db2.gz SHYHASNABOQCPU-UHFFFAOYSA-N 0 0 317.864 4.132 20 10 DICDRN CCN(C)c1ccc([C@H](C)Nc2cccc(CCCO)c2)cc1 ZINC000781917109 1046485883 /nfs/dbraw/zinc/48/58/83/1046485883.db2.gz CHCXXQUKGUZVOR-INIZCTEOSA-N 0 0 312.457 4.241 20 10 DICDRN CN(CC1CCOCC1)c1ccc(OCc2ccccc2)cc1 ZINC000781960445 1046489034 /nfs/dbraw/zinc/48/90/34/1046489034.db2.gz JLSQKMHVFZAPDC-UHFFFAOYSA-N 0 0 311.425 4.128 20 10 DICDRN C[N@H+](Cc1ccccc1O)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000091956822 1046489329 /nfs/dbraw/zinc/48/93/29/1046489329.db2.gz WXKRNKYDZPGSPK-UHFFFAOYSA-N 0 0 312.196 4.037 20 10 DICDRN CN(Cc1nccs1)c1ccc(OCc2ccccc2)cc1 ZINC000781964398 1046490659 /nfs/dbraw/zinc/49/06/59/1046490659.db2.gz SPAWUBPLTAUIGF-UHFFFAOYSA-N 0 0 310.422 4.359 20 10 DICDRN O=C(NC1CCC(c2ccc(F)cc2)CC1)C1=CC(=O)CS1 ZINC000782132727 1046496225 /nfs/dbraw/zinc/49/62/25/1046496225.db2.gz PJNLRLRZPKQRHY-UHFFFAOYSA-N 0 0 319.401 4.049 20 10 DICDRN CC[N@H+](Cc1cccc(Cl)c1)Cc1c([O-])c(F)ccc1F ZINC001139687219 1046498423 /nfs/dbraw/zinc/49/84/23/1046498423.db2.gz JAHKMLDSHYSWRX-UHFFFAOYSA-N 0 0 311.759 4.346 20 10 DICDRN Cc1ccc([C@@H]2CCC[N@@H+]2Cc2c(F)ccc(F)c2[O-])cc1 ZINC001139683843 1046498765 /nfs/dbraw/zinc/49/87/65/1046498765.db2.gz NFCCOKBPPCRPMS-KRWDZBQOSA-N 0 0 303.352 4.316 20 10 DICDRN [O-]c1c(F)ccc(F)c1C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC001139683778 1046499467 /nfs/dbraw/zinc/49/94/67/1046499467.db2.gz KWBPQJKAVZTAQP-UHFFFAOYSA-N 0 0 321.342 4.189 20 10 DICDRN CC[C@H]1c2ccccc2CC[N@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139686037 1046500155 /nfs/dbraw/zinc/50/01/55/1046500155.db2.gz KVGRCLNUCXICRB-KRWDZBQOSA-N 0 0 303.352 4.180 20 10 DICDRN Cc1ccccc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000248010560 1046525223 /nfs/dbraw/zinc/52/52/23/1046525223.db2.gz BWHXCZDFKWZCBP-UHFFFAOYSA-N 0 0 322.452 4.258 20 10 DICDRN COCCSCCCSc1ncc(C(C)(C)C)s1 ZINC000783155592 1046560784 /nfs/dbraw/zinc/56/07/84/1046560784.db2.gz HQFIBWMAVMOSQO-UHFFFAOYSA-N 0 0 305.534 4.302 20 10 DICDRN Oc1ccc(F)cc1C[N@@H+]1CCC[C@H]1c1cc(F)ccc1F ZINC001140055279 1046577847 /nfs/dbraw/zinc/57/78/47/1046577847.db2.gz PYIGTFZKXJXIOZ-INIZCTEOSA-N 0 0 307.315 4.147 20 10 DICDRN Oc1ccc(F)cc1C[N@@H+]1CC[C@H](Sc2ccc(F)cc2)C1 ZINC001140060017 1046579319 /nfs/dbraw/zinc/57/93/19/1046579319.db2.gz GSOVJWYFOACTIB-INIZCTEOSA-N 0 0 321.392 4.037 20 10 DICDRN c1cc(NCc2ccc(N3CCCCC3)cc2)cc2c1COC2 ZINC000092854703 1046581255 /nfs/dbraw/zinc/58/12/55/1046581255.db2.gz CCEUEGVGAPIQIV-UHFFFAOYSA-N 0 0 308.425 4.319 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H](c1cccnc1)C(C)C)c1ccc(F)cc1[O-] ZINC000796794584 1046589845 /nfs/dbraw/zinc/58/98/45/1046589845.db2.gz VVVCNMQMCAEISH-QZTJIDSGSA-N 0 0 316.420 4.407 20 10 DICDRN COc1ccc(N(CC[C@H]2CCOC2)Cc2ccccc2)cc1 ZINC000783498928 1046600730 /nfs/dbraw/zinc/60/07/30/1046600730.db2.gz UWDTUKICYCADGE-SFHVURJKSA-N 0 0 311.425 4.128 20 10 DICDRN CCOc1cc2c(cc1N[C@H](C)c1ccccc1O)O[C@H](C)C2 ZINC000783528545 1046606106 /nfs/dbraw/zinc/60/61/06/1046606106.db2.gz OFNHJEWLPSFENZ-CHWSQXEVSA-N 0 0 313.397 4.287 20 10 DICDRN Cc1ccc(C)c(CN(C)[C@H](C2CCC2)C(F)(F)F)c1O ZINC001140184545 1046610434 /nfs/dbraw/zinc/61/04/34/1046610434.db2.gz YSEAJNMMEQCGCJ-OAHLLOKOSA-N 0 0 301.352 4.172 20 10 DICDRN COc1ccc(O)c(CNc2ccc(OC(C)C)cc2Cl)c1 ZINC000783721408 1046627910 /nfs/dbraw/zinc/62/79/10/1046627910.db2.gz VMXZSHWAVFOQLX-UHFFFAOYSA-N 0 0 321.804 4.454 20 10 DICDRN Cc1ccncc1/C=C/C(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000783839318 1046636387 /nfs/dbraw/zinc/63/63/87/1046636387.db2.gz HAHZVTLYOFGRDP-MVGZEHJDSA-N 0 0 324.449 4.321 20 10 DICDRN Cc1ccncc1/C=C/C(=O)N(C)c1cccc2ccccc21 ZINC000783928165 1046646976 /nfs/dbraw/zinc/64/69/76/1046646976.db2.gz MTVSNYMXLLTQSW-ZHACJKMWSA-N 0 0 302.377 4.219 20 10 DICDRN CC(C)N(CC(=O)c1ccccc1)Cc1c(O)cccc1Cl ZINC001140341781 1046667727 /nfs/dbraw/zinc/66/77/27/1046667727.db2.gz HNCRNQLVMGXQPP-UHFFFAOYSA-N 0 0 317.816 4.139 20 10 DICDRN CC(C)c1ncc(/C=C2/c3cc(Cl)ccc3N(C)C2=O)s1 ZINC000799502065 1046680199 /nfs/dbraw/zinc/68/01/99/1046680199.db2.gz UNDVRKVOZLWDNZ-QPEQYQDCSA-N 0 0 318.829 4.437 20 10 DICDRN COc1ccc(N(CCC(C)C)C(=O)C2=CC(=O)CS2)cc1 ZINC000834839750 1046681754 /nfs/dbraw/zinc/68/17/54/1046681754.db2.gz FRWCSYUNFPDJEM-UHFFFAOYSA-N 0 0 319.426 4.155 20 10 DICDRN C[C@@H]([NH2+]Cc1cc(C2CC2)ccc1F)c1ccc(F)cc1[O-] ZINC000834841106 1046684308 /nfs/dbraw/zinc/68/43/08/1046684308.db2.gz PKTJWPQMIOGFFY-LLVKDONJSA-N 0 0 303.352 4.399 20 10 DICDRN CC[C@@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)c1ccc(F)cc1[O-] ZINC000834876309 1046693074 /nfs/dbraw/zinc/69/30/74/1046693074.db2.gz FEPBGSXQKHFCTR-CSMYWGQOSA-N 0 0 315.388 4.484 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1ccc(Cl)c(Cl)c1[O-] ZINC000834877102 1046693479 /nfs/dbraw/zinc/69/34/79/1046693479.db2.gz ZGMQNUOEDOZMFM-JOYOIKCWSA-N 0 0 320.260 4.289 20 10 DICDRN Cc1ccncc1C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000834886459 1046701586 /nfs/dbraw/zinc/70/15/86/1046701586.db2.gz LVZXJUBFWHYBJB-JTQLQIEISA-N 0 0 311.212 4.253 20 10 DICDRN CO[C@@H]([C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])C1CC1 ZINC000834904335 1046713320 /nfs/dbraw/zinc/71/33/20/1046713320.db2.gz NNJTVPDREGOMIU-QQXLSSBLSA-N 0 0 318.244 4.163 20 10 DICDRN CO[C@@H]([C@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-])C1CC1 ZINC000834904332 1046714723 /nfs/dbraw/zinc/71/47/23/1046714723.db2.gz NNJTVPDREGOMIU-OLBFVZFUSA-N 0 0 318.244 4.163 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)COc1ccccc1)c1ccc(F)cc1[O-] ZINC000796727238 1046723133 /nfs/dbraw/zinc/72/31/33/1046723133.db2.gz SBXSEHWORYYSFG-CXAGYDPISA-N 0 0 303.377 4.040 20 10 DICDRN CC[C@@H]([NH2+]CCc1csc(C(C)C)n1)c1ccc(F)cc1[O-] ZINC000796747244 1046726982 /nfs/dbraw/zinc/72/69/82/1046726982.db2.gz UOLIZHGDDOBDLE-OAHLLOKOSA-N 0 0 322.449 4.395 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)C[C@@H](O)c1ccccc1)c1ccc(F)cc1[O-] ZINC000796797205 1046734658 /nfs/dbraw/zinc/73/46/58/1046734658.db2.gz LOPOCLGXCHNAKI-DOPJRALCSA-N 0 0 317.404 4.084 20 10 DICDRN COc1ccccc1C[C@@H](C)[N@H+](C)Cc1ccc(Cl)cc1O ZINC001140464598 1046734935 /nfs/dbraw/zinc/73/49/35/1046734935.db2.gz WOUNBYPGWSXHSH-CYBMUJFWSA-N 0 0 319.832 4.117 20 10 DICDRN CN(Cc1ccc(Cl)cc1O)[C@H](C1CCC1)C(F)(F)F ZINC001140465381 1046738652 /nfs/dbraw/zinc/73/86/52/1046738652.db2.gz LBOPFJOFMKJRBJ-CYBMUJFWSA-N 0 0 307.743 4.208 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)Cc1cccc(OC)c1)c1ccc(F)cc1[O-] ZINC000796823628 1046740584 /nfs/dbraw/zinc/74/05/84/1046740584.db2.gz BJNCPZANBVPPEA-UGSOOPFHSA-N 0 0 317.404 4.212 20 10 DICDRN CC[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1C(C)C)c1ccc(F)cc1[O-] ZINC000796828416 1046740751 /nfs/dbraw/zinc/74/07/51/1046740751.db2.gz VCRYHEGFZIEVCA-QANKJYHBSA-N 0 0 309.425 4.023 20 10 DICDRN CC[C@@H](Nc1ccc(N(C)C)cc1C)c1ccc(F)cc1O ZINC000796857209 1046747419 /nfs/dbraw/zinc/74/74/19/1046747419.db2.gz YFANPRSYNOAQPY-MRXNPFEDSA-N 0 0 302.393 4.469 20 10 DICDRN CC[C@@H](Nc1cccc(OCCOC)c1)c1ccc(F)cc1O ZINC000796869822 1046751100 /nfs/dbraw/zinc/75/11/00/1046751100.db2.gz PYLHVPGPZDQOMJ-QGZVFWFLSA-N 0 0 319.376 4.120 20 10 DICDRN CC[C@@H]([NH2+]C1(c2ccc(F)cc2)CC1)c1ccc(F)cc1[O-] ZINC000796872896 1046751690 /nfs/dbraw/zinc/75/16/90/1046751690.db2.gz KAQUZBHGEXTANO-MRXNPFEDSA-N 0 0 303.352 4.400 20 10 DICDRN CC[C@H](Nc1ccn(-c2ccccc2)n1)c1ccc(F)cc1O ZINC000796895705 1046754404 /nfs/dbraw/zinc/75/44/04/1046754404.db2.gz FABFVHGCBXDHRR-INIZCTEOSA-N 0 0 311.360 4.280 20 10 DICDRN C[C@@H]1c2ccsc2CC[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000835084537 1046756472 /nfs/dbraw/zinc/75/64/72/1046756472.db2.gz ODKBAFZQIDDKCB-GFCCVEGCSA-N 0 0 310.422 4.121 20 10 DICDRN CC[C@@H](Nc1ccc(N(C)C)c(C)c1)c1ccc(F)cc1O ZINC000796912800 1046756783 /nfs/dbraw/zinc/75/67/83/1046756783.db2.gz NURXJCXIOMGGGO-MRXNPFEDSA-N 0 0 302.393 4.469 20 10 DICDRN CC[C@H](Nc1cc(F)c(OC)cc1OC)c1ccc(F)cc1O ZINC000796923557 1046759270 /nfs/dbraw/zinc/75/92/70/1046759270.db2.gz OFXCUTQBUCTSKH-ZDUSSCGKSA-N 0 0 323.339 4.251 20 10 DICDRN CCO[C@H](C[NH2+][C@@H](CC)c1ccc(F)cc1[O-])c1ccccc1 ZINC000796972322 1046765368 /nfs/dbraw/zinc/76/53/68/1046765368.db2.gz JOUOJDUBUBZNTJ-PKOBYXMFSA-N 0 0 317.404 4.350 20 10 DICDRN CC[C@H]([NH2+]CC1CCC(F)(F)CC1)c1ccc(F)cc1[O-] ZINC000796990943 1046766326 /nfs/dbraw/zinc/76/63/26/1046766326.db2.gz YYDCTLCCDZYFDE-AWEZNQCLSA-N 0 0 301.352 4.398 20 10 DICDRN CC[C@@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1ccc(F)cc1[O-] ZINC000796983887 1046766355 /nfs/dbraw/zinc/76/63/55/1046766355.db2.gz MQTUVQXMQFULFR-QGZVFWFLSA-N 0 0 312.388 4.296 20 10 DICDRN CC[C@@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000796991924 1046768377 /nfs/dbraw/zinc/76/83/77/1046768377.db2.gz ZBRITBXMESRARL-UMPJEAMMSA-N 0 0 309.425 4.166 20 10 DICDRN CC[C@H]([NH2+][C@H](C)[C@H](O)c1ccc(C)cc1)c1ccc(F)cc1[O-] ZINC000797062935 1046783748 /nfs/dbraw/zinc/78/37/48/1046783748.db2.gz WIDUGOAAFOFHKS-FMEYXAORSA-N 0 0 317.404 4.003 20 10 DICDRN C[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000797064733 1046784656 /nfs/dbraw/zinc/78/46/56/1046784656.db2.gz JFZDCILWDWMYKA-RGNHYFCHSA-N 0 0 306.258 4.101 20 10 DICDRN CCN(C)c1ccc([C@@H](C)N[C@H](C)c2c(F)cncc2F)cc1 ZINC000797126521 1046792522 /nfs/dbraw/zinc/79/25/22/1046792522.db2.gz MTENUVGCXJVWJH-CHWSQXEVSA-N 0 0 319.399 4.228 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)Cc1coc2ccccc12 ZINC000797194600 1046798885 /nfs/dbraw/zinc/79/88/85/1046798885.db2.gz VRWGCADGKRDBGE-UHFFFAOYSA-N 0 0 323.392 4.120 20 10 DICDRN Cc1ccccc1-c1noc([C@H](C)Sc2nccs2)n1 ZINC000075076429 1046808928 /nfs/dbraw/zinc/80/89/28/1046808928.db2.gz WFUBCDRYUMBUAC-JTQLQIEISA-N 0 0 303.412 4.355 20 10 DICDRN CCOc1ccccc1C[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000796700028 1046861202 /nfs/dbraw/zinc/86/12/02/1046861202.db2.gz CEEXBPKENDZMRK-MRXNPFEDSA-N 0 0 303.377 4.171 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1[C@H](C)[C@@H]1c1ccccc1 ZINC000797737484 1046879143 /nfs/dbraw/zinc/87/91/43/1046879143.db2.gz BPPNXFBKNICTFB-CDHQVMDDSA-N 0 0 323.436 4.181 20 10 DICDRN COc1ccc2c(c1)CCCN2Cc1cc(-c2ccccc2)on1 ZINC000797726094 1046879790 /nfs/dbraw/zinc/87/97/90/1046879790.db2.gz ZFPUTVPCSGVDQS-UHFFFAOYSA-N 0 0 320.392 4.303 20 10 DICDRN CCN(Cc1ccc(O)c(C)c1O)Cc1c(F)cccc1Cl ZINC001140748198 1046886002 /nfs/dbraw/zinc/88/60/02/1046886002.db2.gz ULXCFAAEZVDWEX-UHFFFAOYSA-N 0 0 323.795 4.221 20 10 DICDRN CCN(CC(C)C)C(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C ZINC000303183396 1046887078 /nfs/dbraw/zinc/88/70/78/1046887078.db2.gz KTMYRRBVEKWMJC-UHFFFAOYSA-N 0 0 323.440 4.084 20 10 DICDRN CC[C@@H](C)CN(C)C(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C ZINC000303502077 1046925371 /nfs/dbraw/zinc/92/53/71/1046925371.db2.gz NHKOBXGQXUQMPN-CQSZACIVSA-N 0 0 323.440 4.084 20 10 DICDRN C[C@H]([NH2+]C[C@@]1(C)CCCS1)c1cccc(C(F)(F)F)c1[O-] ZINC000798182093 1046933266 /nfs/dbraw/zinc/93/32/66/1046933266.db2.gz QEVVRBAKHIWOCG-IINYFYTJSA-N 0 0 319.392 4.347 20 10 DICDRN CSC(C)(C)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000798184187 1046933623 /nfs/dbraw/zinc/93/36/23/1046933623.db2.gz RKPZXOZPNBOTPZ-SECBINFHSA-N 0 0 307.381 4.203 20 10 DICDRN CC(C)CCCC[NH2+]Cc1cccc(Br)c1[O-] ZINC000096867529 1046962831 /nfs/dbraw/zinc/96/28/31/1046962831.db2.gz JJHCQIJAUIYDBN-UHFFFAOYSA-N 0 0 300.240 4.071 20 10 DICDRN COc1ccc(N(CC(C)C)C(=O)/C=C\c2cncc(C)c2)cc1 ZINC001276355432 1046989846 /nfs/dbraw/zinc/98/98/46/1046989846.db2.gz OVDYCCBKRPBWHL-YHYXMXQVSA-N 0 0 324.424 4.101 20 10 DICDRN CC(=O)c1cccc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000827441816 1046991521 /nfs/dbraw/zinc/99/15/21/1046991521.db2.gz DXNVCHQYYAXQSQ-UHFFFAOYSA-N 0 0 322.452 4.120 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000798964769 1046994214 /nfs/dbraw/zinc/99/42/14/1046994214.db2.gz MWJWQIYBDYGVLF-LLVKDONJSA-N 0 0 323.223 4.084 20 10 DICDRN FC1(F)CC[C@H](c2noc(-c3ccc(-n4cccc4)cc3)n2)C1 ZINC000799189944 1047008655 /nfs/dbraw/zinc/00/86/55/1047008655.db2.gz XNDMXRGAWPECEH-ZDUSSCGKSA-N 0 0 315.323 4.430 20 10 DICDRN Oc1cccc2c1CN(Cc1csc(-c3ccccc3)n1)CC2 ZINC001141213162 1047045506 /nfs/dbraw/zinc/04/55/06/1047045506.db2.gz RRUYCBFZKFZGKS-UHFFFAOYSA-N 0 0 322.433 4.074 20 10 DICDRN Cc1cc(C(=O)N(C)CC(C)C)c(C)n1-c1cc(C)cc(C)c1 ZINC001141250801 1047064278 /nfs/dbraw/zinc/06/42/78/1047064278.db2.gz NVEJECVDHQQCEK-UHFFFAOYSA-N 0 0 312.457 4.439 20 10 DICDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@@H]1c1ccccc1F ZINC001139684572 1047082785 /nfs/dbraw/zinc/08/27/85/1047082785.db2.gz ZLPNZUURFIBFJN-MRXNPFEDSA-N 0 0 307.315 4.147 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1[nH]ccc1C1CC1 ZINC000837604691 1047094209 /nfs/dbraw/zinc/09/42/09/1047094209.db2.gz JGNBHQAFGDRIFD-UHFFFAOYSA-N 0 0 312.413 4.040 20 10 DICDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)CC2CCCCC2)c1 ZINC001116066939 1047105241 /nfs/dbraw/zinc/10/52/41/1047105241.db2.gz ZRKBXFRKYFLMAP-ZIAGYGMSSA-N 0 0 319.445 4.185 20 10 DICDRN CCN(CC)c1ccc(CNc2ncc(C(F)F)cn2)cc1F ZINC000827601142 1047124111 /nfs/dbraw/zinc/12/41/11/1047124111.db2.gz CYWCIVCAFXDFMS-UHFFFAOYSA-N 0 0 324.350 4.012 20 10 DICDRN CCCC[C@H](CC)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001141455902 1047136590 /nfs/dbraw/zinc/13/65/90/1047136590.db2.gz VLDMTYPPFYAIHN-NSHDSACASA-N 0 0 321.442 4.259 20 10 DICDRN Cc1cccc(CNc2ccc(O[C@H]3CC3(F)F)cc2)c1O ZINC000827639474 1047139518 /nfs/dbraw/zinc/13/95/18/1047139518.db2.gz JKXZWWYHHTWLRC-HNNXBMFYSA-N 0 0 305.324 4.099 20 10 DICDRN CCOCc1ccc(NCc2c(O)ccc(Cl)c2F)cc1 ZINC001116746985 1047173988 /nfs/dbraw/zinc/17/39/88/1047173988.db2.gz ADLWKCJYWUXKIG-UHFFFAOYSA-N 0 0 309.768 4.333 20 10 DICDRN COCCOc1ccccc1N[C@H](C)c1ccc(C)c(C)c1O ZINC000757575917 1047183607 /nfs/dbraw/zinc/18/36/07/1047183607.db2.gz JBBGCXNQEYTGOP-OAHLLOKOSA-N 0 0 315.413 4.207 20 10 DICDRN CN(C)c1ccc(CN(C(=O)C(C)(C)C2CCC2)C2CC2)cc1 ZINC000839238918 1047206319 /nfs/dbraw/zinc/20/63/19/1047206319.db2.gz KUIPHFYCIDZJFT-UHFFFAOYSA-N 0 0 314.473 4.070 20 10 DICDRN Cc1cc(-c2nnc(-c3cc(C)n(-c4ccccc4)c3C)o2)no1 ZINC001117227493 1047213529 /nfs/dbraw/zinc/21/35/29/1047213529.db2.gz HUVIXAKEAQFMIL-UHFFFAOYSA-N 0 0 320.352 4.108 20 10 DICDRN O=C(Nc1c2nonc2ccc1Cl)C(C1CCC1)C1CCC1 ZINC001117507144 1047229744 /nfs/dbraw/zinc/22/97/44/1047229744.db2.gz BSHYAQHOZNDJCS-UHFFFAOYSA-N 0 0 319.792 4.031 20 10 DICDRN Oc1cccc(Cl)c1CNc1ccc(F)cc1OC(F)F ZINC000760440844 1047236968 /nfs/dbraw/zinc/23/69/68/1047236968.db2.gz IVXSOBPNOFUXMV-UHFFFAOYSA-N 0 0 317.694 4.398 20 10 DICDRN CN(C)c1ccc(C[N@H+](C)Cc2ccc3cc(F)ccc3n2)cc1 ZINC001141651144 1047247596 /nfs/dbraw/zinc/24/75/96/1047247596.db2.gz YACCWTWZBWNLSO-UHFFFAOYSA-N 0 0 323.415 4.072 20 10 DICDRN Cc1cc(-c2nnc([C@@]3(C)CCCO3)o2)c(C)n1-c1ccccc1 ZINC001118128725 1047264696 /nfs/dbraw/zinc/26/46/96/1047264696.db2.gz HNCMAAAKTMIHTL-LJQANCHMSA-N 0 0 323.396 4.170 20 10 DICDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC001142509018 1047266085 /nfs/dbraw/zinc/26/60/85/1047266085.db2.gz TZTKKPSUIRSFHF-MRXNPFEDSA-N 0 0 307.315 4.147 20 10 DICDRN CC(=O)Nc1ccc(N[C@@H](C)c2ccc(F)cc2O)cc1Cl ZINC000387736727 1047285287 /nfs/dbraw/zinc/28/52/87/1047285287.db2.gz WELHOZMQONYQHM-VIFPVBQESA-N 0 0 322.767 4.316 20 10 DICDRN CC(=O)Nc1ccc(N[C@H](C)c2ccc(F)cc2O)cc1Cl ZINC000387736726 1047285628 /nfs/dbraw/zinc/28/56/28/1047285628.db2.gz WELHOZMQONYQHM-SECBINFHSA-N 0 0 322.767 4.316 20 10 DICDRN Cc1cc(-c2nnc([C@H]3CCCO3)o2)c(C)n1-c1ccccc1C ZINC001118376074 1047286942 /nfs/dbraw/zinc/28/69/42/1047286942.db2.gz FCFVQIMVZNBAPE-QGZVFWFLSA-N 0 0 323.396 4.304 20 10 DICDRN C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])COCc1ccccc1 ZINC000389911336 1047293280 /nfs/dbraw/zinc/29/32/80/1047293280.db2.gz KBDHHQPNQRGMMT-HUUCEWRRSA-N 0 0 317.404 4.035 20 10 DICDRN C[C@@H](CCOCc1ccccc1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000389901526 1047293302 /nfs/dbraw/zinc/29/33/02/1047293302.db2.gz CJOUHPUTUZZKSF-AWEZNQCLSA-N 0 0 319.832 4.131 20 10 DICDRN C[C@H](CCOCc1ccccc1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000389901527 1047293319 /nfs/dbraw/zinc/29/33/19/1047293319.db2.gz CJOUHPUTUZZKSF-CQSZACIVSA-N 0 0 319.832 4.131 20 10 DICDRN Cc1ccc(NCc2ccc(N3CCCC3)cc2)c([N+](=O)[O-])c1 ZINC000390291379 1047294313 /nfs/dbraw/zinc/29/43/13/1047294313.db2.gz HRNWYBZRRJBPSR-UHFFFAOYSA-N 0 0 311.385 4.116 20 10 DICDRN CC(C)(C)OC(=O)Nc1cc(CSc2nccs2)ccn1 ZINC001118475247 1047296689 /nfs/dbraw/zinc/29/66/89/1047296689.db2.gz ZSBKREQQCYOVKO-UHFFFAOYSA-N 0 0 323.443 4.177 20 10 DICDRN Cc1cc(CN(C)Cc2nccs2)ccc1N1CCCCC1 ZINC000827958334 1047310712 /nfs/dbraw/zinc/31/07/12/1047310712.db2.gz RYQPAEQAJWSVFR-UHFFFAOYSA-N 0 0 315.486 4.074 20 10 DICDRN C[C@H](CCCc1cccnc1)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000840775003 1047331032 /nfs/dbraw/zinc/33/10/32/1047331032.db2.gz OSJISWLLQQEKKK-CHWSQXEVSA-N 0 0 320.383 4.127 20 10 DICDRN C[C@@H]1C[C@@H]([NH2+]C2CCC(C(F)F)CC2)c2c1c(F)ccc2O ZINC000840808938 1047336898 /nfs/dbraw/zinc/33/68/98/1047336898.db2.gz YLFMWZKSEFXOTB-ZUYNKMSQSA-N 0 0 313.363 4.493 20 10 DICDRN C[C@H]1C[C@H]([NH2+]C2CCC(C(F)F)CC2)c2c1c(F)ccc2O ZINC000840808935 1047337333 /nfs/dbraw/zinc/33/73/33/1047337333.db2.gz YLFMWZKSEFXOTB-YUVKLTJASA-N 0 0 313.363 4.493 20 10 DICDRN CC[C@H]([NH2+]C[C@@H](C)CCOC)c1cc(Cl)cc(Cl)c1[O-] ZINC000840835135 1047340953 /nfs/dbraw/zinc/34/09/53/1047340953.db2.gz HGJJCOOBAIIGAQ-HZMBPMFUSA-N 0 0 320.260 4.412 20 10 DICDRN CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)NCc1ccccc1O ZINC000726242359 1047342456 /nfs/dbraw/zinc/34/24/56/1047342456.db2.gz XZSBADBMMPNJLQ-ZBFHGGJFSA-N 0 0 318.461 4.044 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)[C@@](C)(OC)C1CC1)c1cccc(Cl)c1[O-] ZINC000840859201 1047347889 /nfs/dbraw/zinc/34/78/89/1047347889.db2.gz JANIOOHAJBGBKC-XNJJOIOASA-N 0 0 311.853 4.290 20 10 DICDRN CC[C@H](NCc1nnc(C2CC2)s1)c1cc(Cl)ccc1O ZINC000840891646 1047357233 /nfs/dbraw/zinc/35/72/33/1047357233.db2.gz ROZGTDOVXQKFMZ-LBPRGKRZSA-N 0 0 323.849 4.015 20 10 DICDRN CC(C)(C)c1ccncc1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000840957408 1047362458 /nfs/dbraw/zinc/36/24/58/1047362458.db2.gz CRDLTYBQUGSWJC-UHFFFAOYSA-N 0 0 322.811 4.167 20 10 DICDRN CC[C@H](C)Oc1cc(CNc2ccc(N)cc2)ccc1OC ZINC000841040003 1047374646 /nfs/dbraw/zinc/37/46/46/1047374646.db2.gz GFAZFSGTAZXJOK-ZDUSSCGKSA-N 0 0 300.402 4.067 20 10 DICDRN Nc1ccc(NC(=O)NC[C@@H]2CCCC[C@H]2c2ccccc2)cc1 ZINC000841298130 1047400136 /nfs/dbraw/zinc/40/01/36/1047400136.db2.gz MKRZYNMJQUPULD-LPHOPBHVSA-N 0 0 323.440 4.364 20 10 DICDRN C[C@@]1(CCc2ccccc2)CCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000841298875 1047400227 /nfs/dbraw/zinc/40/02/27/1047400227.db2.gz DRZQRXPDPSCEJR-HXUWFJFHSA-N 0 0 323.440 4.146 20 10 DICDRN C[C@H](NC(=O)Nc1ccc(N)cc1)C1(c2ccccc2)CCCC1 ZINC000841295563 1047400516 /nfs/dbraw/zinc/40/05/16/1047400516.db2.gz BLELFASSXDAOJE-HNNXBMFYSA-N 0 0 323.440 4.291 20 10 DICDRN Nc1ccc(NC(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)cc1 ZINC000841298311 1047400571 /nfs/dbraw/zinc/40/05/71/1047400571.db2.gz ZTAGWKMIGRAPBT-MAUKXSAKSA-N 0 0 309.413 4.117 20 10 DICDRN Cc1cccc([C@@H](NC(=O)Nc2ccc(N)cc2)C(C)(C)C)c1 ZINC000841300141 1047400665 /nfs/dbraw/zinc/40/06/65/1047400665.db2.gz OKRVJNJXLOCNBL-QGZVFWFLSA-N 0 0 311.429 4.486 20 10 DICDRN CC[C@@H](NC(=O)Nc1ccc(N)cc1)C(C)(C)c1ccccc1 ZINC000841300210 1047400671 /nfs/dbraw/zinc/40/06/71/1047400671.db2.gz MYTFJCYCXFBDIQ-QGZVFWFLSA-N 0 0 311.429 4.147 20 10 DICDRN Nc1ccc(NC(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)cc1 ZINC000841298527 1047400808 /nfs/dbraw/zinc/40/08/08/1047400808.db2.gz AVATXKDLBJKCCW-LJQANCHMSA-N 0 0 321.424 4.343 20 10 DICDRN CC(C)(C)c1ccc2c(c1)CN(C(=O)Nc1ccc(N)cc1)CC2 ZINC000841295916 1047400812 /nfs/dbraw/zinc/40/08/12/1047400812.db2.gz JQRKCVQVFFKSBS-UHFFFAOYSA-N 0 0 323.440 4.157 20 10 DICDRN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1ccc(N)cc1 ZINC000841299839 1047401371 /nfs/dbraw/zinc/40/13/71/1047401371.db2.gz KXAFHVNNGMXXAH-GOSISDBHSA-N 0 0 311.429 4.062 20 10 DICDRN C[C@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000841300310 1047401432 /nfs/dbraw/zinc/40/14/32/1047401432.db2.gz UHYOEDPBAPRSGJ-FQEVSTJZSA-N 0 0 323.440 4.245 20 10 DICDRN CC[C@@H](Cc1ccccc1)N(CC)C(=O)Nc1ccc(N)cc1 ZINC000841300881 1047402022 /nfs/dbraw/zinc/40/20/22/1047402022.db2.gz VPAQIGLMTVBIPG-SFHVURJKSA-N 0 0 311.429 4.144 20 10 DICDRN Nc1ccc(NC(=O)N[C@H](c2ccccc2)C2CCCC2)cc1 ZINC000841301787 1047402050 /nfs/dbraw/zinc/40/20/50/1047402050.db2.gz YVAKNUUAPDRNJQ-GOSISDBHSA-N 0 0 309.413 4.322 20 10 DICDRN CCCCN(C(=O)Nc1ccc(N)cc1)[C@@H]1CCC[C@@H](C)C1 ZINC000841300603 1047402096 /nfs/dbraw/zinc/40/20/96/1047402096.db2.gz XCXYOSBGBYZSDQ-RHSMWYFYSA-N 0 0 303.450 4.482 20 10 DICDRN Nc1ccc(NC(=O)N2CCCCC[C@@H]2c2ccccc2)cc1 ZINC000841301434 1047403614 /nfs/dbraw/zinc/40/36/14/1047403614.db2.gz PBUAJLSQXCRFKT-GOSISDBHSA-N 0 0 309.413 4.418 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)C1CCCC1 ZINC000749352428 1047411920 /nfs/dbraw/zinc/41/19/20/1047411920.db2.gz NSRBJXWKXONLET-MRXNPFEDSA-N 0 0 316.489 4.316 20 10 DICDRN c1cnc2c(c1)cccc2COc1ccc(N2CCCC2)cc1 ZINC000749791505 1047436950 /nfs/dbraw/zinc/43/69/50/1047436950.db2.gz PXJIRDVLJJIPSW-UHFFFAOYSA-N 0 0 304.393 4.414 20 10 DICDRN COc1ccc(COc2ccc(N3CCCC3)cc2)cc1F ZINC000749796684 1047437091 /nfs/dbraw/zinc/43/70/91/1047437091.db2.gz ZRJIWEMNEPGAKG-UHFFFAOYSA-N 0 0 301.361 4.014 20 10 DICDRN C[C@H]1CCC[C@H](CC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000749851148 1047440208 /nfs/dbraw/zinc/44/02/08/1047440208.db2.gz SKMQKUNNNGAACV-WMZOPIPTSA-N 0 0 314.473 4.119 20 10 DICDRN C[C@@H](CCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000749882603 1047442374 /nfs/dbraw/zinc/44/23/74/1047442374.db2.gz LTKCMRCGVFYARD-KRWDZBQOSA-N 0 0 324.468 4.295 20 10 DICDRN COC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)c1ccccc1 ZINC000841747651 1047448196 /nfs/dbraw/zinc/44/81/96/1047448196.db2.gz GYHVCUYOXVZUIY-LRDDRELGSA-N 0 0 305.805 4.084 20 10 DICDRN C[C@H]([NH2+]Cc1nc(C2CC2)cs1)c1ccc(Cl)cc1O ZINC000841747566 1047448333 /nfs/dbraw/zinc/44/83/33/1047448333.db2.gz CMKNYVRJSGFXNQ-VIFPVBQESA-N 0 0 308.834 4.230 20 10 DICDRN CC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)c1c(C)nn(C)c1C ZINC000841748508 1047448378 /nfs/dbraw/zinc/44/83/78/1047448378.db2.gz ADNHHLTVTVVSJN-BMIGLBTASA-N 0 0 321.852 4.198 20 10 DICDRN C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(Cl)cc1O ZINC000841747096 1047448415 /nfs/dbraw/zinc/44/84/15/1047448415.db2.gz NQKZTZGWIZKRPT-NSHDSACASA-N 0 0 322.811 4.102 20 10 DICDRN C[C@H]([NH2+][C@H]1CCc2c1cccc2O)c1ccc(Cl)cc1O ZINC000841747997 1047448492 /nfs/dbraw/zinc/44/84/92/1047448492.db2.gz VHKVRHVEXOMMJN-BONVTDFDSA-N 0 0 303.789 4.089 20 10 DICDRN CO[C@@H]1Cc2ccc(N[C@H](C)c3ccc(Cl)cc3O)cc2C1 ZINC000841751032 1047449631 /nfs/dbraw/zinc/44/96/31/1047449631.db2.gz FDFFALRYOXCIES-BDJLRTHQSA-N 0 0 317.816 4.332 20 10 DICDRN C[C@@H](Nc1cnn([C@H](C)C2CC2)c1)c1ccc(Cl)cc1O ZINC000841750725 1047449876 /nfs/dbraw/zinc/44/98/76/1047449876.db2.gz AMKZLXAAISMPPS-GHMZBOCLSA-N 0 0 305.809 4.386 20 10 DICDRN C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841748750 1047450016 /nfs/dbraw/zinc/45/00/16/1047450016.db2.gz YJBPQKSAIHOARD-VXGBXAGGSA-N 0 0 305.805 4.033 20 10 DICDRN C[C@H](Nc1ccc(N2CCCC2)nc1)c1ccc(Cl)cc1O ZINC000841749682 1047450601 /nfs/dbraw/zinc/45/06/01/1047450601.db2.gz GUKIRTRMXDBYFO-LBPRGKRZSA-N 0 0 317.820 4.214 20 10 DICDRN C[C@H](Nc1cnn([C@@H](C)C2CC2)c1)c1ccc(Cl)cc1O ZINC000841750730 1047450655 /nfs/dbraw/zinc/45/06/55/1047450655.db2.gz AMKZLXAAISMPPS-QWRGUYRKSA-N 0 0 305.809 4.386 20 10 DICDRN C[C@@H]([NH2+]CC(C)(C)c1cccnc1)c1ccc(Cl)cc1[O-] ZINC000841755852 1047453619 /nfs/dbraw/zinc/45/36/19/1047453619.db2.gz MWSZRBXLXQZOGN-GFCCVEGCSA-N 0 0 304.821 4.069 20 10 DICDRN C[C@@H]([NH2+]C[C@H]1CCOC2(CCC2)C1)c1ccc(Cl)cc1[O-] ZINC000841758608 1047453819 /nfs/dbraw/zinc/45/38/19/1047453819.db2.gz TYIHXODNJFMWNA-OLZOCXBDSA-N 0 0 309.837 4.046 20 10 DICDRN CC(=O)c1cc(Cl)cc(C[N@@H+]([C@@H](C)C2CC2)C2CC2)c1[O-] ZINC000750037217 1047455029 /nfs/dbraw/zinc/45/50/29/1047455029.db2.gz WTECMBSQLVOZNA-JTQLQIEISA-N 0 0 307.821 4.011 20 10 DICDRN COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142524678 1047465402 /nfs/dbraw/zinc/46/54/02/1047465402.db2.gz GICCVUQROAXOIJ-INIZCTEOSA-N 0 0 319.351 4.016 20 10 DICDRN COc1ccccc1[C@H]1CCC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142524679 1047465557 /nfs/dbraw/zinc/46/55/57/1047465557.db2.gz GICCVUQROAXOIJ-MRXNPFEDSA-N 0 0 319.351 4.016 20 10 DICDRN Cc1ccccc1/N=N/c1ccc(NC(=O)C(C)(C)O)c(C)c1 ZINC001142904114 1047512374 /nfs/dbraw/zinc/51/23/74/1047512374.db2.gz JZIXDBWLICXXDU-QZQOTICOSA-N 0 0 311.385 4.428 20 10 DICDRN C[C@H]([NH2+][C@H]1CCS[C@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000842928679 1047513280 /nfs/dbraw/zinc/51/32/80/1047513280.db2.gz LCOJZCGODVTTPP-UBJUHAIHSA-N 0 0 306.258 4.244 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCS[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000842927870 1047513733 /nfs/dbraw/zinc/51/37/33/1047513733.db2.gz GGILMHXMGCRXFR-DKCNOQQISA-N 0 0 306.258 4.244 20 10 DICDRN CC(C)[C@@H](Cc1ccccc1)c1nc(Cc2ccc(N)cc2)no1 ZINC000843160259 1047530004 /nfs/dbraw/zinc/53/00/04/1047530004.db2.gz WYTGKIOIDPINDI-GOSISDBHSA-N 0 0 321.424 4.225 20 10 DICDRN CC(C)[C@@H](c1nc(Cc2ccc(N)cc2)no1)c1ccccc1 ZINC000843158657 1047530207 /nfs/dbraw/zinc/53/02/07/1047530207.db2.gz 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1048416406 /nfs/dbraw/zinc/41/64/06/1048416406.db2.gz NWNRLUYLDFDFAJ-UHFFFAOYSA-N 0 0 310.328 4.006 20 10 DICDRN C[C@H](NC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1O ZINC001187712341 1048432686 /nfs/dbraw/zinc/43/26/86/1048432686.db2.gz NUEFECALHRZCDX-VIFPVBQESA-N 0 0 308.740 4.067 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]C1(Cc2ccccc2)CCC1 ZINC000776239625 1048445805 /nfs/dbraw/zinc/44/58/05/1048445805.db2.gz JKMWHNXNPTWWJV-UHFFFAOYSA-N 0 0 301.817 4.301 20 10 DICDRN CCC[C@H]1CCCCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776246642 1048460807 /nfs/dbraw/zinc/46/08/07/1048460807.db2.gz SLAIEAIFQZMMTE-QAPCUYQASA-N 0 0 317.477 4.178 20 10 DICDRN CCC(CC)N(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000776250345 1048465507 /nfs/dbraw/zinc/46/55/07/1048465507.db2.gz USDDTVLMTVGTRY-CQSZACIVSA-N 0 0 317.477 4.176 20 10 DICDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2Nc1ncccc1F ZINC001163486432 1048477014 /nfs/dbraw/zinc/47/70/14/1048477014.db2.gz JTSKEAMESVJIFQ-INIZCTEOSA-N 0 0 300.377 4.279 20 10 DICDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2Nc1ncc(C2CC2)cn1 ZINC001163486107 1048477697 /nfs/dbraw/zinc/47/76/97/1048477697.db2.gz DGHBZBUVTSNEGE-SFHVURJKSA-N 0 0 323.440 4.412 20 10 DICDRN CN(C)c1ccc(/C=C\CNc2ccc3scnc3c2)cc1 ZINC001202243475 1048502576 /nfs/dbraw/zinc/50/25/76/1048502576.db2.gz ZBSYWXKZWQCHAC-ARJAWSKDSA-N 0 0 309.438 4.488 20 10 DICDRN O=C1c2ccccc2-c2cccc(Nc3cnn(C4CC4)c3)c21 ZINC001175962444 1048507541 /nfs/dbraw/zinc/50/75/41/1048507541.db2.gz OKKAIUMZEZNEKM-UHFFFAOYSA-N 0 0 301.349 4.173 20 10 DICDRN COc1cccc(C(=O)CSc2ncc(C(C)(C)C)s2)c1 ZINC001188942215 1048567888 /nfs/dbraw/zinc/56/78/88/1048567888.db2.gz PJPMFXAJAALOFD-UHFFFAOYSA-N 0 0 321.467 4.424 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)[C@H](C)c1ccccc1F ZINC000109020285 1048607878 /nfs/dbraw/zinc/60/78/78/1048607878.db2.gz KDTGOMCFDPXKSR-CQSZACIVSA-N 0 0 315.388 4.074 20 10 DICDRN CCS[C@@H](C)c1noc(CSc2ncc(Cl)s2)n1 ZINC000849999939 1048610021 /nfs/dbraw/zinc/61/00/21/1048610021.db2.gz DCTQPPBEUXGFPE-LURJTMIESA-N 0 0 321.880 4.286 20 10 DICDRN CN(c1ccc(N)cc1)c1ccc(OCc2ccccc2)nc1 ZINC001176306558 1048642436 /nfs/dbraw/zinc/64/24/36/1048642436.db2.gz XAZHWASXCPQSMP-UHFFFAOYSA-N 0 0 305.381 4.011 20 10 DICDRN Nc1ccc(Cc2ccccc2Nc2csc(CO)c2)cc1 ZINC001176371351 1048663768 /nfs/dbraw/zinc/66/37/68/1048663768.db2.gz AINZLUKFNZJEHO-UHFFFAOYSA-N 0 0 310.422 4.157 20 10 DICDRN O=C1c2ccccc2-c2cccc(Nc3csc(CO)c3)c21 ZINC001176371536 1048663926 /nfs/dbraw/zinc/66/39/26/1048663926.db2.gz KNHUIBGHCYXRSQ-UHFFFAOYSA-N 0 0 307.374 4.195 20 10 DICDRN Nc1ccc(CCc2ccc(Nc3csc(CO)c3)cc2)cc1 ZINC001176369825 1048664074 /nfs/dbraw/zinc/66/40/74/1048664074.db2.gz GNMHDMABSZWNTJ-UHFFFAOYSA-N 0 0 324.449 4.351 20 10 DICDRN CCc1cccc(CC)c1NC(=O)NCc1cccc(C)c1O ZINC001189788502 1048667224 /nfs/dbraw/zinc/66/72/24/1048667224.db2.gz XRTZVFIKNBROKA-UHFFFAOYSA-N 0 0 312.413 4.147 20 10 DICDRN COC1CC(CC[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])C1 ZINC000850483209 1048671131 /nfs/dbraw/zinc/67/11/31/1048671131.db2.gz VESPMUJYZHIWGP-KPPDAEKUSA-N 0 0 318.244 4.165 20 10 DICDRN C[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1cccc(C(F)(F)F)c1[O-] ZINC000850482024 1048671144 /nfs/dbraw/zinc/67/11/44/1048671144.db2.gz MAUOBOHQAORFPK-NWDGAFQWSA-N 0 0 324.346 4.260 20 10 DICDRN Cn1c(CCSc2ncc(Cl)s2)nc2ccccc21 ZINC001189832199 1048671517 /nfs/dbraw/zinc/67/15/17/1048671517.db2.gz LFSCDCNQACNJFS-UHFFFAOYSA-N 0 0 309.847 4.018 20 10 DICDRN CC[C@H]([NH2+]CCc1cnccc1C)c1cccc(Cl)c1[O-] ZINC000850505030 1048672914 /nfs/dbraw/zinc/67/29/14/1048672914.db2.gz KPNAQRRJUIVCMC-INIZCTEOSA-N 0 0 304.821 4.032 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H]3CCCC[C@H]32)cc1 ZINC001165272381 1048673114 /nfs/dbraw/zinc/67/31/14/1048673114.db2.gz QQUDMXJAYGAJHL-IEBWSBKVSA-N 0 0 308.425 4.109 20 10 DICDRN O=S(=O)(CCCF)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC001189911125 1048673866 /nfs/dbraw/zinc/67/38/66/1048673866.db2.gz IVVBUKBDXZYOOT-ISLYRVAYSA-N 0 0 321.377 4.203 20 10 DICDRN C[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000850523543 1048677152 /nfs/dbraw/zinc/67/71/52/1048677152.db2.gz LBRJXQOJSFYDHF-NXEZZACHSA-N 0 0 316.228 4.061 20 10 DICDRN Nc1ccc(N(Cc2ccccc2)c2ccc(O)cc2F)cc1 ZINC001176411729 1048678012 /nfs/dbraw/zinc/67/80/12/1048678012.db2.gz GOYNLIFRTKRMON-UHFFFAOYSA-N 0 0 308.356 4.452 20 10 DICDRN C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000850536594 1048685250 /nfs/dbraw/zinc/68/52/50/1048685250.db2.gz LNXQJIKQCYXBMS-PELKAZGASA-N 0 0 309.278 4.107 20 10 DICDRN C=C/C=C/CCNC(=O)c1sccc1-n1c(C)ccc1C ZINC001176457356 1048690179 /nfs/dbraw/zinc/69/01/79/1048690179.db2.gz PMFKCKLXIAFQTM-AATRIKPKSA-N 0 0 300.427 4.018 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)C1CCC(F)CC1)c1cc(F)cc(F)c1[O-] ZINC000850556834 1048690993 /nfs/dbraw/zinc/69/09/93/1048690993.db2.gz UASPLIYSORAPNX-DMOGRIERSA-N 0 0 301.352 4.238 20 10 DICDRN C[C@H]([NH2+][C@@H](C)C1CCC(F)CC1)c1cc(F)cc(F)c1[O-] ZINC000850556842 1048691110 /nfs/dbraw/zinc/69/11/10/1048691110.db2.gz UASPLIYSORAPNX-JYBOHDQNSA-N 0 0 301.352 4.238 20 10 DICDRN COc1cc(N[C@H](C)c2cc(C)ccc2O)ccc1OC(F)F ZINC000850562977 1048692163 /nfs/dbraw/zinc/69/21/63/1048692163.db2.gz YUWOXNHYOSIOQX-LLVKDONJSA-N 0 0 323.339 4.484 20 10 DICDRN COc1cc(N[C@@H](C)c2cc(C)ccc2O)ccc1OC(F)F ZINC000850562979 1048692425 /nfs/dbraw/zinc/69/24/25/1048692425.db2.gz YUWOXNHYOSIOQX-NSHDSACASA-N 0 0 323.339 4.484 20 10 DICDRN OCCn1cc(Nc2ccc(/N=N/c3ccccc3)cc2)cn1 ZINC001176475321 1048693506 /nfs/dbraw/zinc/69/35/06/1048693506.db2.gz YDYNTDUUPAIVAO-QZQOTICOSA-N 0 0 307.357 4.034 20 10 DICDRN CCc1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1CC ZINC001165508940 1048693983 /nfs/dbraw/zinc/69/39/83/1048693983.db2.gz ZJKWZUHLRPVIIH-UHFFFAOYSA-N 0 0 317.816 4.100 20 10 DICDRN CC[C@@H](Nc1cccc(-c2cn(C)nn2)c1)c1ccc(C)cc1O ZINC000850563853 1048694672 /nfs/dbraw/zinc/69/46/72/1048694672.db2.gz GUIXQXCUNQEOBC-QGZVFWFLSA-N 0 0 322.412 4.059 20 10 DICDRN CCC[C@H](CC)SCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001166123391 1048736764 /nfs/dbraw/zinc/73/67/64/1048736764.db2.gz QDLKATHIQCTLGZ-KRWDZBQOSA-N 0 0 322.518 4.023 20 10 DICDRN CCC[C@@H](C)CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000109759745 1048739385 /nfs/dbraw/zinc/73/93/85/1048739385.db2.gz BGIDRIXVCQCJMR-QGZVFWFLSA-N 0 0 316.489 4.462 20 10 DICDRN COC(=O)c1cnc(S[C@@H]2CCCCc3ccccc32)s1 ZINC001166227479 1048740809 /nfs/dbraw/zinc/74/08/09/1048740809.db2.gz IRDWMKCNBDDRED-CYBMUJFWSA-N 0 0 319.451 4.490 20 10 DICDRN Oc1ccccc1C[N@H+](CCc1cccs1)Cc1ccco1 ZINC000109761245 1048742718 /nfs/dbraw/zinc/74/27/18/1048742718.db2.gz WFUJVZGBLVILPC-UHFFFAOYSA-N 0 0 313.422 4.292 20 10 DICDRN Cc1cc(C)c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000775405036 1048777297 /nfs/dbraw/zinc/77/72/97/1048777297.db2.gz PXNSZGGUNSCTFU-INIZCTEOSA-N 0 0 310.441 4.169 20 10 DICDRN Cc1ccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1C ZINC000775405981 1048777893 /nfs/dbraw/zinc/77/78/93/1048777893.db2.gz IBFFQBGIEQXFSB-OAHLLOKOSA-N 0 0 311.429 4.252 20 10 DICDRN C[C@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000775419552 1048797396 /nfs/dbraw/zinc/79/73/96/1048797396.db2.gz JCNVIOMXLAYJBB-LBPRGKRZSA-N 0 0 317.820 4.289 20 10 DICDRN Cc1cc(C)cc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775429455 1048834989 /nfs/dbraw/zinc/83/49/89/1048834989.db2.gz XSOWNTWXOFLVRP-OAHLLOKOSA-N 0 0 311.429 4.252 20 10 DICDRN CCC1(CC)CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773619717 1048843869 /nfs/dbraw/zinc/84/38/69/1048843869.db2.gz ODRCDGDUTQYEGY-HNNXBMFYSA-N 0 0 317.477 4.035 20 10 DICDRN CC(C)(C)c1ccc(NC(=O)Nc2cccc(O)c2O)cc1 ZINC001191152890 1048867035 /nfs/dbraw/zinc/86/70/35/1048867035.db2.gz RKJRKVRSWCYQAX-UHFFFAOYSA-N 0 0 300.358 4.039 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccc2c(c1)CCCO2 ZINC000853239464 1048889292 /nfs/dbraw/zinc/88/92/92/1048889292.db2.gz BNLYFYPNSZCEMD-OLZOCXBDSA-N 0 0 315.388 4.268 20 10 DICDRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001177571437 1048917525 /nfs/dbraw/zinc/91/75/25/1048917525.db2.gz XDXPMDGJSLGGIL-KEYYUXOJSA-N 0 0 320.433 4.098 20 10 DICDRN CC(C)[N@H+](CCCCCO)Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203585416 1048936912 /nfs/dbraw/zinc/93/69/12/1048936912.db2.gz IKKAYYAZQOWKIE-UHFFFAOYSA-N 0 0 320.260 4.072 20 10 DICDRN COc1cccc(C[N@H+](C)C2CCC(C(C)(C)C)CC2)c1O ZINC001203596879 1048938174 /nfs/dbraw/zinc/93/81/74/1048938174.db2.gz RDKXSIZARLUUOW-UHFFFAOYSA-N 0 0 305.462 4.438 20 10 DICDRN Cc1oc2ccc(NC(=O)N3Cc4cccc(O)c4C3)cc2c1C ZINC001203606967 1048938817 /nfs/dbraw/zinc/93/88/17/1048938817.db2.gz TYHZLKDVDRFQSX-UHFFFAOYSA-N 0 0 322.364 4.303 20 10 DICDRN CCN(Cc1ccc(OC)cc1O)Cc1c(F)cccc1Cl ZINC001203634512 1048943525 /nfs/dbraw/zinc/94/35/25/1048943525.db2.gz JVKKGXNSGPDOSD-UHFFFAOYSA-N 0 0 323.795 4.215 20 10 DICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CCc2ccccc21 ZINC001177854954 1048953097 /nfs/dbraw/zinc/95/30/97/1048953097.db2.gz FRCMDKVBWLEHIJ-LBPRGKRZSA-N 0 0 305.780 4.004 20 10 DICDRN Oc1ccc(Cl)cc1CN1CCc2c3ccccc3oc2C1 ZINC001203664760 1048954977 /nfs/dbraw/zinc/95/49/77/1048954977.db2.gz VKIJHMXPASYQLN-UHFFFAOYSA-N 0 0 313.784 4.350 20 10 DICDRN Cc1nccc2c(NCc3ccc(N(C)C)c(F)c3)cccc12 ZINC001203676334 1048958798 /nfs/dbraw/zinc/95/87/98/1048958798.db2.gz LDYKOHVQOOOFAA-UHFFFAOYSA-N 0 0 309.388 4.360 20 10 DICDRN COc1ccc2c(c1)c1c(n2C)CCN(Cc2ccccc2C)C1 ZINC001203709622 1048973990 /nfs/dbraw/zinc/97/39/90/1048973990.db2.gz LKCIPWHSAZVRSH-UHFFFAOYSA-N 0 0 320.436 4.054 20 10 DICDRN Cc1ncsc1/C=C/C(=O)N(Cc1ccco1)c1ccccc1 ZINC000776748115 1048979868 /nfs/dbraw/zinc/97/98/68/1048979868.db2.gz QBVMOJUKWYBVQA-MDZDMXLPSA-N 0 0 324.405 4.291 20 10 DICDRN CC(C)COCCN1CCCc2cc(OC(F)(F)F)ccc21 ZINC001191711385 1048982670 /nfs/dbraw/zinc/98/26/70/1048982670.db2.gz JSYMRWRXRCDWCA-UHFFFAOYSA-N 0 0 317.351 4.010 20 10 DICDRN CCN(C)c1ccc([C@H](C)Nc2ccc(OC)cc2OC)cc1 ZINC000776753526 1048983513 /nfs/dbraw/zinc/98/35/13/1048983513.db2.gz PLLVDVQRWZSJJN-AWEZNQCLSA-N 0 0 314.429 4.333 20 10 DICDRN Cc1cc(NC(=O)N(C)Cc2ccccc2O)ccc1Cl ZINC001191760330 1048985825 /nfs/dbraw/zinc/98/58/25/1048985825.db2.gz GEDNVGBIHHRZML-UHFFFAOYSA-N 0 0 304.777 4.018 20 10 DICDRN Cc1cc(NC(=O)NCc2ccc(N(C)C)cc2)ccc1Cl ZINC001191784318 1049001345 /nfs/dbraw/zinc/00/13/45/1049001345.db2.gz YCQULCKZRMEEFF-UHFFFAOYSA-N 0 0 317.820 4.036 20 10 DICDRN CCN(CCOc1ccc(SC)cc1)c1ccc(OC)cc1 ZINC001191837577 1049011209 /nfs/dbraw/zinc/01/12/09/1049011209.db2.gz FEEKRUJXIDLKEQ-UHFFFAOYSA-N 0 0 317.454 4.322 20 10 DICDRN COc1ccc(N(C)C[C@@]2(C)CC2(Cl)Cl)cc1Cl ZINC001191892129 1049015959 /nfs/dbraw/zinc/01/59/59/1049015959.db2.gz UKMOQRSRRKNJJP-GFCCVEGCSA-N 0 0 308.636 4.369 20 10 DICDRN CCCc1cc(C(=O)NCc2c(C)cc(C)cc2O)ccc1F ZINC001191997562 1049023845 /nfs/dbraw/zinc/02/38/45/1049023845.db2.gz NXASMQDZPHAVNL-UHFFFAOYSA-N 0 0 315.388 4.031 20 10 DICDRN Cc1ccccc1/N=N/c1ccc(NC(=O)c2ncon2)c(C)c1 ZINC001192029215 1049032161 /nfs/dbraw/zinc/03/21/61/1049032161.db2.gz NNVSFFZOOUCETE-QZQOTICOSA-N 0 0 321.340 4.354 20 10 DICDRN C[C@H]1C[C@H](CC(=O)NCc2c(O)cccc2F)CC(C)(C)C1 ZINC001178413296 1049037441 /nfs/dbraw/zinc/03/74/41/1049037441.db2.gz PXSBRZVNVVRVBM-QWHCGFSZSA-N 0 0 307.409 4.000 20 10 DICDRN CC[C@@H]([NH2+]CC[C@H](C)OC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775500802 1049042352 /nfs/dbraw/zinc/04/23/52/1049042352.db2.gz LHGWHMQPQHHVQU-JOYOIKCWSA-N 0 0 306.233 4.165 20 10 DICDRN FC(F)(CNCc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC001178666907 1049072524 /nfs/dbraw/zinc/07/25/24/1049072524.db2.gz JWBLTBLVXDOHTO-UHFFFAOYSA-N 0 0 323.770 4.157 20 10 DICDRN COc1ccc(-n2c(C)cc(C(=O)Nc3ccccc3)c2C)cc1 ZINC000010741979 1049073234 /nfs/dbraw/zinc/07/32/34/1049073234.db2.gz BVKCFCQEXOKWQZ-UHFFFAOYSA-N 0 0 320.392 4.355 20 10 DICDRN COC1(C)CN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000775518383 1049076845 /nfs/dbraw/zinc/07/68/45/1049076845.db2.gz UBBKARVWVWRXAR-UHFFFAOYSA-N 0 0 324.384 4.355 20 10 DICDRN COc1ccc2c(c1)CCCCN2C[C@H]1CC(C)(C)OC1(C)C ZINC001192315851 1049080363 /nfs/dbraw/zinc/08/03/63/1049080363.db2.gz VPYNEYPDGJVFKG-MRXNPFEDSA-N 0 0 317.473 4.432 20 10 DICDRN CC[C@@H]([NH2+]CCC[C@H](C)CO)c1ccc(Cl)c(Cl)c1[O-] ZINC000775524262 1049081593 /nfs/dbraw/zinc/08/15/93/1049081593.db2.gz DUFJHVLKGUYLHM-GXFFZTMASA-N 0 0 320.260 4.148 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775523911 1049086758 /nfs/dbraw/zinc/08/67/58/1049086758.db2.gz AYJTVOHRKTVOQI-BREBYQMCSA-N 0 0 318.244 4.307 20 10 DICDRN CC[C@@H](Nc1cccc(CN2CCCC2=O)c1)c1ccccc1O ZINC000775531731 1049113354 /nfs/dbraw/zinc/11/33/54/1049113354.db2.gz BQRORSWYUYYXMD-GOSISDBHSA-N 0 0 324.424 4.078 20 10 DICDRN CCCc1nc(C[N@@H+](CCC)Cc2ccccc2O)cs1 ZINC000114717521 1049116220 /nfs/dbraw/zinc/11/62/20/1049116220.db2.gz UWPNTQIDWYROJU-UHFFFAOYSA-N 0 0 304.459 4.213 20 10 DICDRN CCC1(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)CCC1 ZINC001179023650 1049117572 /nfs/dbraw/zinc/11/75/72/1049117572.db2.gz AXTICAYOIIYDLG-UHFFFAOYSA-N 0 0 308.425 4.382 20 10 DICDRN CC[C@@H](Nc1cnn(CC(F)F)c1)c1cc(Cl)ccc1O ZINC000775539814 1049123622 /nfs/dbraw/zinc/12/36/22/1049123622.db2.gz HIOFMCFPXQZPLH-GFCCVEGCSA-N 0 0 315.751 4.070 20 10 DICDRN CC[C@H]([NH2+]Cc1cc(OC)ccc1F)c1cccc(Cl)c1[O-] ZINC000857082239 1049127031 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CC[C@@H]([NH2+]CC[C@@H]1CCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775552203 1049145228 /nfs/dbraw/zinc/14/52/28/1049145228.db2.gz SXWOZDJIOBJUJA-ZWNOBZJWSA-N 0 0 318.244 4.166 20 10 DICDRN Cc1cc(-c2nc([C@H]3C[C@@H]3C)no2)c(C)n1-c1ccc(F)cc1 ZINC000904816054 1049152741 /nfs/dbraw/zinc/15/27/41/1049152741.db2.gz ILARPZIWCCEIKO-BONVTDFDSA-N 0 0 311.360 4.407 20 10 DICDRN C[C@H]1CCC[C@@H](CCN2CCOc3cc(N(C)C)ccc32)C1 ZINC001192937750 1049157317 /nfs/dbraw/zinc/15/73/17/1049157317.db2.gz BNKTXOUHTJOGRE-HOTGVXAUSA-N 0 0 302.462 4.168 20 10 DICDRN C[C@H]1CCC[C@H](CCN2CCOc3cc(N(C)C)ccc32)C1 ZINC001192937754 1049157330 /nfs/dbraw/zinc/15/73/30/1049157330.db2.gz BNKTXOUHTJOGRE-JKSUJKDBSA-N 0 0 302.462 4.168 20 10 DICDRN CC(C)(C)c1ccc(C(=O)NCc2ccccc2O)cc1Cl ZINC000857471518 1049157555 /nfs/dbraw/zinc/15/75/55/1049157555.db2.gz BNOHMESMGWSLMS-UHFFFAOYSA-N 0 0 317.816 4.273 20 10 DICDRN CC(C)C[N@H+](Cc1ccccc1F)Cc1cccc(F)c1[O-] ZINC001204431686 1049162592 /nfs/dbraw/zinc/16/25/92/1049162592.db2.gz 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CCC(F)(F)C(C)(C)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000858515018 1049267494 /nfs/dbraw/zinc/26/74/94/1049267494.db2.gz ZGVVUWPGQYOVNF-SECBINFHSA-N 0 0 307.331 4.393 20 10 DICDRN COCc1ccc(N[C@@H](C)c2cc(Cl)ccc2O)cc1OC ZINC000858567584 1049275545 /nfs/dbraw/zinc/27/55/45/1049275545.db2.gz FUJIRZZFFWKAGJ-NSHDSACASA-N 0 0 321.804 4.374 20 10 DICDRN CC[C@@H]([NH2+]C[C@H]1C[C@@H](OC)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000858593130 1049283312 /nfs/dbraw/zinc/28/33/12/1049283312.db2.gz UATXLEAREBMODQ-OLUVUFQESA-N 0 0 318.244 4.165 20 10 DICDRN CN(C)c1ccc(/C=C/C(=O)N2CCC(C(C)(C)C)CC2)cc1 ZINC001180122456 1049290871 /nfs/dbraw/zinc/29/08/71/1049290871.db2.gz YKBJCVIWVOUAGS-DHZHZOJOSA-N 0 0 314.473 4.051 20 10 DICDRN Cc1ccccc1[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001204916765 1049310322 /nfs/dbraw/zinc/31/03/22/1049310322.db2.gz SFTZJECJKCFEHP-ZDUSSCGKSA-N 0 0 319.807 4.483 20 10 DICDRN CNc1ccc(Nc2ccc(Cc3ccc(N)cc3)cc2)c(F)n1 ZINC001203361759 1049312651 /nfs/dbraw/zinc/31/26/51/1049312651.db2.gz 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CCOc1cccc(C[NH2+][C@H](CC)c2ccc(F)cc2[O-])c1 ZINC000796693041 1050798405 /nfs/dbraw/zinc/79/84/05/1050798405.db2.gz CVRIPJCCUOQFIV-QGZVFWFLSA-N 0 0 303.377 4.171 20 10 DICDRN COc1ccc(N(Cc2ccco2)C[C@@H]2CC[C@@H](C)O2)cc1F ZINC000789346575 1050813558 /nfs/dbraw/zinc/81/35/58/1050813558.db2.gz DOGAUXWBZQVALL-CJNGLKHVSA-N 0 0 319.376 4.001 20 10 DICDRN C[C@@H](C(=O)NCc1cc(Cl)ccc1O)c1cccc(Cl)c1 ZINC001146232478 1050818472 /nfs/dbraw/zinc/81/84/72/1050818472.db2.gz LWAPXTMZYNGSHO-SNVBAGLBSA-N 0 0 324.207 4.119 20 10 DICDRN CC(C)CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000742417602 1050841753 /nfs/dbraw/zinc/84/17/53/1050841753.db2.gz PWQRVDQBAMWONY-UHFFFAOYSA-N 0 0 302.462 4.118 20 10 DICDRN COc1c2ccccc2oc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000789585188 1050847230 /nfs/dbraw/zinc/84/72/30/1050847230.db2.gz WXAUJYWBWONKPJ-UHFFFAOYSA-N 0 0 317.772 4.090 20 10 DICDRN CCCN(CCC)c1ccc(CNc2cccc(CO)c2)cc1 ZINC000789562884 1050851073 /nfs/dbraw/zinc/85/10/73/1050851073.db2.gz LWFQAMKSDGQONL-UHFFFAOYSA-N 0 0 312.457 4.417 20 10 DICDRN Cc1cc(O)c([C@@H]2Nc3ccccc3C(=O)N2CC(C)C)cc1C ZINC000742440288 1050857244 /nfs/dbraw/zinc/85/72/44/1050857244.db2.gz ODPZVGUUYHKZHL-LJQANCHMSA-N 0 0 324.424 4.232 20 10 DICDRN COc1ccc(N(C)Cc2ccc([C@H]3C[C@H]3C)o2)cc1OC ZINC000761222818 1050859518 /nfs/dbraw/zinc/85/95/18/1050859518.db2.gz WRAXALGWAGMUIO-DOMZBBRYSA-N 0 0 301.386 4.057 20 10 DICDRN COc1ccc(N(C)Cc2ccc([C@H]3C[C@@H]3C)o2)cc1OC ZINC000761222830 1050860131 /nfs/dbraw/zinc/86/01/31/1050860131.db2.gz WRAXALGWAGMUIO-WFASDCNBSA-N 0 0 301.386 4.057 20 10 DICDRN CC(C)(C)c1ncc(/C=C/C(=O)N2CCc3ccccc32)s1 ZINC000742467544 1050859957 /nfs/dbraw/zinc/85/99/57/1050859957.db2.gz DWAXVQOTPMFOKD-CMDGGOBGSA-N 0 0 312.438 4.043 20 10 DICDRN Cc1ccc(O)cc1Nc1ccccc1C(=O)c1ccncc1 ZINC001214355190 1050880469 /nfs/dbraw/zinc/88/04/69/1050880469.db2.gz UPSPDXHHUNQSTP-UHFFFAOYSA-N 0 0 304.349 4.070 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)/C=C(\C)C(C)(C)C)cc1 ZINC000742552957 1050884793 /nfs/dbraw/zinc/88/47/93/1050884793.db2.gz 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CCN(CC)c1ccc(CN(C)C(=O)NCCC=C(C)C)cc1 ZINC000790522512 1050969008 /nfs/dbraw/zinc/96/90/08/1050969008.db2.gz XKCPAMIBFLOGPR-UHFFFAOYSA-N 0 0 317.477 4.031 20 10 DICDRN C[C@H](CC1CCCCC1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000303553027 1050972964 /nfs/dbraw/zinc/97/29/64/1050972964.db2.gz LYQSVUMRYQNNMC-CQSZACIVSA-N 0 0 320.452 4.114 20 10 DICDRN CCCCN(C(=O)c1cccc(O)c1O)[C@H](C)c1ccc(C)o1 ZINC000790597356 1050975259 /nfs/dbraw/zinc/97/52/59/1050975259.db2.gz OHWJDSWDYRALCV-CYBMUJFWSA-N 0 0 317.385 4.003 20 10 DICDRN Cc1cccc([C@H](C)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000772995364 1050977765 /nfs/dbraw/zinc/97/77/65/1050977765.db2.gz APZXNQICHNOLON-JKSUJKDBSA-N 0 0 310.441 4.042 20 10 DICDRN Cc1ccc(C)c(NC(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000743054304 1050981086 /nfs/dbraw/zinc/98/10/86/1050981086.db2.gz BIKQFQJXYAUOBI-UHFFFAOYSA-N 0 0 324.424 4.210 20 10 DICDRN CCc1ccccc1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743069972 1050986765 /nfs/dbraw/zinc/98/67/65/1050986765.db2.gz DYGICAMLJJDSJU-UHFFFAOYSA-N 0 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C[C@@H](NC(=O)C[C@H]1CCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000773022480 1051026297 /nfs/dbraw/zinc/02/62/97/1051026297.db2.gz GNBVMITYXBGGIX-CRAIPNDOSA-N 0 0 322.452 4.050 20 10 DICDRN C/C(=C/C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000773021016 1051026811 /nfs/dbraw/zinc/02/68/11/1051026811.db2.gz QOCVWJLCXBIZIQ-YARYAAFXSA-N 0 0 308.425 4.033 20 10 DICDRN CCc1ccc([C@H](NC(=O)C2=CC(=O)CS2)C(C)C)cc1 ZINC000743437454 1051032111 /nfs/dbraw/zinc/03/21/11/1051032111.db2.gz LSTQOPBUXPLNDM-MRXNPFEDSA-N 0 0 303.427 4.143 20 10 DICDRN COc1ccc(N(C)Cc2cccc(C(F)F)c2)cc1OC ZINC000791445140 1051049550 /nfs/dbraw/zinc/04/95/50/1051049550.db2.gz LSFINQDKVBDYDJ-UHFFFAOYSA-N 0 0 307.340 4.278 20 10 DICDRN CCC(CC)(C(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000743748627 1051060240 /nfs/dbraw/zinc/06/02/40/1051060240.db2.gz ZVEGEYZSNGFONW-UHFFFAOYSA-N 0 0 324.468 4.127 20 10 DICDRN CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)C2=CC(=O)CS2)o1 ZINC000743810768 1051064885 /nfs/dbraw/zinc/06/48/85/1051064885.db2.gz 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/nfs/dbraw/zinc/10/54/16/1051105416.db2.gz UJDIVFVPYUYWIT-SECBINFHSA-N 0 0 300.185 4.013 20 10 DICDRN C[C@@H](Cc1ccco1)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000036993940 1051105915 /nfs/dbraw/zinc/10/59/15/1051105915.db2.gz UJDIVFVPYUYWIT-VIFPVBQESA-N 0 0 300.185 4.013 20 10 DICDRN Oc1ccc(Cl)c(F)c1CNc1cccc(-c2cc[nH]n2)c1 ZINC000792156625 1051121628 /nfs/dbraw/zinc/12/16/28/1051121628.db2.gz HTHUSOQQAIUULP-UHFFFAOYSA-N 0 0 317.751 4.187 20 10 DICDRN CC[C@H](C)n1ncc(NCc2cc(Cl)cc(F)c2O)c1C ZINC000792192878 1051126343 /nfs/dbraw/zinc/12/63/43/1051126343.db2.gz PDLPSDPHRZYWFF-VIFPVBQESA-N 0 0 311.788 4.273 20 10 DICDRN CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1OC)c1ccc(F)cc1[O-] ZINC000796695873 1051132267 /nfs/dbraw/zinc/13/22/67/1051132267.db2.gz PZRGKPIQEFIGBW-BZNIZROVSA-N 0 0 321.367 4.481 20 10 DICDRN CCC(C)(C)CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000744481970 1051182357 /nfs/dbraw/zinc/18/23/57/1051182357.db2.gz FRUFGKWRDNRDOY-UHFFFAOYSA-N 0 0 302.462 4.119 20 10 DICDRN CCC(C)(C)CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000744509869 1051185765 /nfs/dbraw/zinc/18/57/65/1051185765.db2.gz YVLAWWZBBJMKDC-UHFFFAOYSA-N 0 0 316.489 4.365 20 10 DICDRN COc1ccc(N(C)Cc2ccc(Br)c(C)c2)cc1 ZINC001171745879 1051204548 /nfs/dbraw/zinc/20/45/48/1051204548.db2.gz GLIJSTDOWWIUNG-UHFFFAOYSA-N 0 0 320.230 4.403 20 10 DICDRN CN(c1ccc(CNC(=O)CCC(F)F)cc1)C1CCCCC1 ZINC000793235783 1051266579 /nfs/dbraw/zinc/26/65/79/1051266579.db2.gz BFJMJDMAINNXSA-UHFFFAOYSA-N 0 0 324.415 4.117 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)C[C@@H](C)CC ZINC000745887699 1051293134 /nfs/dbraw/zinc/29/31/34/1051293134.db2.gz DDQXUDDDKOASAP-LSDHHAIUSA-N 0 0 306.450 4.139 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C[C@@H](C)CC ZINC000745887696 1051293684 /nfs/dbraw/zinc/29/36/84/1051293684.db2.gz DDQXUDDDKOASAP-GJZGRUSLSA-N 0 0 306.450 4.139 20 10 DICDRN Cc1cccc(CN2CCCc3cc(OC(F)(F)F)ccc32)n1 ZINC000745983562 1051302646 /nfs/dbraw/zinc/30/26/46/1051302646.db2.gz XYGRBAZUJFQCKT-UHFFFAOYSA-N 0 0 322.330 4.241 20 10 DICDRN C[C@]12CC[N@H+](Cc3cccc(Cl)c3[O-])C[C@H]1C2(Cl)Cl ZINC000793610136 1051325619 /nfs/dbraw/zinc/32/56/19/1051325619.db2.gz BIQMLHSOTUTFKD-YPMHNXCESA-N 0 0 320.647 4.061 20 10 DICDRN COc1ccc(N(Cc2nc(C(C)(C)C)no2)CC(C)C)cc1 ZINC000746170843 1051335013 /nfs/dbraw/zinc/33/50/13/1051335013.db2.gz WQKKZCOKLAXYHH-UHFFFAOYSA-N 0 0 317.433 4.038 20 10 DICDRN CCCCc1nc(CN(CC(C)C)c2ccc(OC)cc2)no1 ZINC000746170400 1051335054 /nfs/dbraw/zinc/33/50/54/1051335054.db2.gz RVQVXPTUARJBQJ-UHFFFAOYSA-N 0 0 317.433 4.083 20 10 DICDRN COc1cnc(F)cc1Nc1ccccc1Cc1ccc(N)cc1 ZINC001215808853 1051383413 /nfs/dbraw/zinc/38/34/13/1051383413.db2.gz ZAYGBCALEZEJRC-UHFFFAOYSA-N 0 0 323.371 4.146 20 10 DICDRN CC[C@H]1CN(C(=O)C2=CC(=O)CS2)CC[C@H]1c1ccccc1 ZINC000746410217 1051403758 /nfs/dbraw/zinc/40/37/58/1051403758.db2.gz VLUUUXQHHUHHGM-XJKSGUPXSA-N 0 0 315.438 4.110 20 10 DICDRN Cc1cc(CCNC(=O)[C@@H]2CC=CCC2)c(C)n1-c1ccccc1 ZINC000746427795 1051409037 /nfs/dbraw/zinc/40/90/37/1051409037.db2.gz 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/nfs/dbraw/zinc/49/50/16/1051495016.db2.gz YABKFGYBTJNMKY-UHFFFAOYSA-N 0 0 318.789 4.094 20 10 DICDRN Cc1ccc(C)c(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC001129813993 1051530854 /nfs/dbraw/zinc/53/08/54/1051530854.db2.gz AWBQXXZZBPDCEM-QGZVFWFLSA-N 0 0 324.468 4.039 20 10 DICDRN CC(C)c1snnc1-c1nc(-c2cc(Cl)ccc2F)no1 ZINC001212687280 1051531744 /nfs/dbraw/zinc/53/17/44/1051531744.db2.gz LALFHYAIDAAVNA-UHFFFAOYSA-N 0 0 324.768 4.171 20 10 DICDRN CC(C)c1snnc1-c1nc(-c2cccc3occc32)no1 ZINC001212687463 1051533474 /nfs/dbraw/zinc/53/34/74/1051533474.db2.gz UTCWSZCHGKHPPS-UHFFFAOYSA-N 0 0 312.354 4.125 20 10 DICDRN CC(C)Oc1ccc(N(C)C[C@H](O)[C@@H](C)c2ccccc2)cc1 ZINC001169253477 1051564290 /nfs/dbraw/zinc/56/42/90/1051564290.db2.gz UWDPKBHAIWXGFS-JXFKEZNVSA-N 0 0 313.441 4.075 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC12CCCC2 ZINC000747297824 1051716671 /nfs/dbraw/zinc/71/66/71/1051716671.db2.gz NIJSBXLXYAPRGN-GOSISDBHSA-N 0 0 314.473 4.070 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC12CCCC2 ZINC000747297826 1051718309 /nfs/dbraw/zinc/71/83/09/1051718309.db2.gz NIJSBXLXYAPRGN-SFHVURJKSA-N 0 0 314.473 4.070 20 10 DICDRN CC[C@H]([NH2+]CC[C@@H](C)OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806136586 1051736761 /nfs/dbraw/zinc/73/67/61/1051736761.db2.gz FKNHZKUJHVOSCK-RNCFNFMXSA-N 0 0 306.233 4.165 20 10 DICDRN CC[C@H]([NH2+]CCOCC1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806136858 1051737801 /nfs/dbraw/zinc/73/78/01/1051737801.db2.gz DBJJUSLLVWOTFB-AWEZNQCLSA-N 0 0 318.244 4.166 20 10 DICDRN CC[C@@H]([NH2+][C@H]1COc2ccccc2C1)c1cccc(Cl)c1[O-] ZINC000806136575 1051738339 /nfs/dbraw/zinc/73/83/39/1051738339.db2.gz ZOTCYMDZFQLLDY-CZUORRHYSA-N 0 0 317.816 4.090 20 10 DICDRN CC[C@H]([NH2+]Cc1cccc(N(C)C)c1)c1cccc(Cl)c1[O-] ZINC000806137587 1051738386 /nfs/dbraw/zinc/73/83/86/1051738386.db2.gz LNQLAGZMTITJNA-KRWDZBQOSA-N 0 0 318.848 4.353 20 10 DICDRN CCc1nc(C[NH2+][C@H](CC)c2cccc(Cl)c2[O-])cs1 ZINC000806138675 1051739795 /nfs/dbraw/zinc/73/97/95/1051739795.db2.gz ZFFKVRRFEJWYOZ-CYBMUJFWSA-N 0 0 310.850 4.305 20 10 DICDRN CC[C@H]([NH2+]CCc1ccc(OC)cc1)c1cccc(Cl)c1[O-] ZINC000806129032 1051741678 /nfs/dbraw/zinc/74/16/78/1051741678.db2.gz RKNQECPXISOJSQ-KRWDZBQOSA-N 0 0 319.832 4.338 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccc(OC)cc1)c1cccc(Cl)c1[O-] ZINC000806128503 1051743437 /nfs/dbraw/zinc/74/34/37/1051743437.db2.gz KQAFVJRZSDKDSU-MRXNPFEDSA-N 0 0 305.805 4.295 20 10 DICDRN CC[C@H]([NH2+]C[C@@H](CC(C)C)N(C)C)c1cccc(Cl)c1[O-] ZINC000806129860 1051744145 /nfs/dbraw/zinc/74/41/45/1051744145.db2.gz LGJOGBVFIBYXNK-CJNGLKHVSA-N 0 0 312.885 4.063 20 10 DICDRN CC(C)SCC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000806168269 1051744851 /nfs/dbraw/zinc/74/48/51/1051744851.db2.gz ZWTVOEBKNLYQHW-SECBINFHSA-N 0 0 308.274 4.491 20 10 DICDRN Cc1c(NC(=O)C2=CC(=O)CS2)cccc1C(F)(F)F ZINC000761592425 1051745929 /nfs/dbraw/zinc/74/59/29/1051745929.db2.gz XPZMECOUKAHGAT-UHFFFAOYSA-N 0 0 301.289 4.033 20 10 DICDRN CCc1cnc(CC[NH2+][C@H](CC)c2cccc(Cl)c2[O-])s1 ZINC000806140684 1051748347 /nfs/dbraw/zinc/74/83/47/1051748347.db2.gz AXYRZWRGGWWYAP-CQSZACIVSA-N 0 0 324.877 4.348 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H](CCO)CC(C)C)c1cccc(Cl)c1[O-] ZINC000806141988 1051749585 /nfs/dbraw/zinc/74/95/85/1051749585.db2.gz MZTFRAQTTUMJRH-XJKSGUPXSA-N 0 0 313.869 4.131 20 10 DICDRN CC[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)c1cccc(Cl)c1[O-] ZINC000806141269 1051749876 /nfs/dbraw/zinc/74/98/76/1051749876.db2.gz HLYLZGAENXYVEI-UXLLHSPISA-N 0 0 311.853 4.028 20 10 DICDRN CC[C@@H]([NH2+]CCNc1ccccc1)c1cccc(Cl)c1[O-] ZINC000806142653 1051749941 /nfs/dbraw/zinc/74/99/41/1051749941.db2.gz FPKNHKFJLOEVMR-MRXNPFEDSA-N 0 0 304.821 4.198 20 10 DICDRN CC[C@H]([NH2+][C@@H](CO)c1ccccc1C)c1cccc(Cl)c1[O-] ZINC000806141312 1051750070 /nfs/dbraw/zinc/75/00/70/1051750070.db2.gz IHGXZSSBWDRRHI-IRXDYDNUSA-N 0 0 319.832 4.128 20 10 DICDRN CC(=O)[C@@H](Cc1cccc(Cl)c1F)Sc1nccs1 ZINC000767062169 1051752562 /nfs/dbraw/zinc/75/25/62/1051752562.db2.gz PHCFXISXAGLPOS-LLVKDONJSA-N 0 0 315.822 4.228 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H](O)c1cccc(C)c1)c1cccc(Cl)c1[O-] ZINC000806149155 1051755693 /nfs/dbraw/zinc/75/56/93/1051755693.db2.gz PTPWKYGHDREWSU-IAGOWNOFSA-N 0 0 319.832 4.128 20 10 DICDRN CC[C@@H]([NH2+][C@H](CCOC)c1ccco1)c1cccc(Cl)c1[O-] ZINC000806157330 1051760209 /nfs/dbraw/zinc/76/02/09/1051760209.db2.gz DZHFDTWQOSZLLZ-HUUCEWRRSA-N 0 0 323.820 4.457 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)c1ccncc1OC)c1cccc(Cl)c1[O-] ZINC000806161515 1051763152 /nfs/dbraw/zinc/76/31/52/1051763152.db2.gz QUEXQVKZNPGOPT-XHDPSFHLSA-N 0 0 320.820 4.251 20 10 DICDRN CC[C@H]([NH2+]C[C@@H]1CCC=CO1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806162205 1051764980 /nfs/dbraw/zinc/76/49/80/1051764980.db2.gz YJLMEBSLOHQCNH-FZMZJTMJSA-N 0 0 316.228 4.432 20 10 DICDRN CC[C@H]([NH2+]C[C@@H]1CCSC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806162647 1051765657 /nfs/dbraw/zinc/76/56/57/1051765657.db2.gz CFCLFWBQTIEOBH-ZANVPECISA-N 0 0 320.285 4.493 20 10 DICDRN CC[C@H]([NH2+][C@H]1CSC[C@H]1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806166572 1051767210 /nfs/dbraw/zinc/76/72/10/1051767210.db2.gz UDDIVJHIPOIAOU-JCOFBHIZSA-N 0 0 320.285 4.491 20 10 DICDRN CC[C@@H]([NH2+]CCCc1cccc(C)n1)c1cccc(Cl)c1[O-] ZINC000806166547 1051767238 /nfs/dbraw/zinc/76/72/38/1051767238.db2.gz TUAYFBZNKCEOPQ-QGZVFWFLSA-N 0 0 318.848 4.423 20 10 DICDRN C[C@H]([NH2+][C@H]1CCC1(C)C)c1cc(Br)c(F)cc1[O-] ZINC000806168857 1051767728 /nfs/dbraw/zinc/76/77/28/1051767728.db2.gz DCFDVPWGDSWQJM-SDBXPKJASA-N 0 0 316.214 4.133 20 10 DICDRN CC(C)Cn1ncc(N[C@@H](C)c2ccc(F)cc2O)c1C1CC1 ZINC000806180475 1051769110 /nfs/dbraw/zinc/76/91/10/1051769110.db2.gz DJXAYNVOQCSRHC-LBPRGKRZSA-N 0 0 317.408 4.434 20 10 DICDRN Cc1ccnc(NCc2ccc(N3CCCC3)cc2)c1Cl ZINC000804350211 1051781484 /nfs/dbraw/zinc/78/14/84/1051781484.db2.gz MEDFBJBFGHPKBP-UHFFFAOYSA-N 0 0 301.821 4.256 20 10 DICDRN CCOc1ccc(CNc2ccc(-c3ccccc3)cn2)c(O)c1 ZINC000767295619 1051786262 /nfs/dbraw/zinc/78/62/62/1051786262.db2.gz 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324.424 4.499 20 10 DICDRN CC[C@H](Nc1cc2c(cc1Cl)OCCO2)c1ccccc1O ZINC000315727116 1052348138 /nfs/dbraw/zinc/34/81/38/1052348138.db2.gz ZWIFXQYUEDYIFP-ZDUSSCGKSA-N 0 0 319.788 4.380 20 10 DICDRN Cc1ccc(NC(=S)NNc2cccc(Cl)c2C)cc1F ZINC000915121201 1052349027 /nfs/dbraw/zinc/34/90/27/1052349027.db2.gz ZXIJNWCNYFUHHE-UHFFFAOYSA-N 0 0 323.824 4.409 20 10 DICDRN CCc1ccccc1NNC(=S)Nc1ccc(C)c(F)c1 ZINC000915121680 1052349051 /nfs/dbraw/zinc/34/90/51/1052349051.db2.gz CBAKXCQMPJCBHD-UHFFFAOYSA-N 0 0 303.406 4.010 20 10 DICDRN c1ccn(-c2ccc(-c3nc([C@@H]4CCCCS4)no3)cc2)c1 ZINC000762384362 1052376573 /nfs/dbraw/zinc/37/65/73/1052376573.db2.gz DXTCVKOCZSNMJP-HNNXBMFYSA-N 0 0 311.410 4.486 20 10 DICDRN Cc1cc(C(=O)N(C)[C@H](C)C2CC2)c(C)n1-c1ccc(F)cc1 ZINC000915263322 1052379580 /nfs/dbraw/zinc/37/95/80/1052379580.db2.gz XNEGCTLVSVQIAO-CYBMUJFWSA-N 0 0 314.404 4.104 20 10 DICDRN Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)C2=CC(=O)CS2)cc1 ZINC000762568515 1052400951 /nfs/dbraw/zinc/40/09/51/1052400951.db2.gz 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COc1cccc2cc(C[NH2+][C@@H](C)c3ccc(F)cc3[O-])oc21 ZINC001320118202 1053307082 /nfs/dbraw/zinc/30/70/82/1053307082.db2.gz HOVUPFYEQAQHJP-NSHDSACASA-N 0 0 315.344 4.137 20 10 DICDRN Cc1cc(CC(=O)N2CCC[C@@H](C)[C@H]2C)c(C)n1-c1ccccc1 ZINC001361033840 1053307714 /nfs/dbraw/zinc/30/77/14/1053307714.db2.gz DPGCLTISIHOLEE-NVXWUHKLSA-N 0 0 324.468 4.284 20 10 DICDRN Cc1ccc(N[C@H](C)c2ccc(Br)cc2O)c(C)n1 ZINC001320131974 1053308943 /nfs/dbraw/zinc/30/89/43/1053308943.db2.gz WIGWAMSWOREUGD-SNVBAGLBSA-N 0 0 321.218 4.340 20 10 DICDRN Cn1cc(CSc2ncc(C(C)(C)C)s2)c(C(F)F)n1 ZINC001320331552 1053324730 /nfs/dbraw/zinc/32/47/30/1053324730.db2.gz YWGYJMGFVMVMPO-UHFFFAOYSA-N 0 0 317.430 4.404 20 10 DICDRN C[C@H]([NH2+]Cc1ccc2c(c1)CCC2)c1cc(F)cc(F)c1[O-] ZINC001320410720 1053330828 /nfs/dbraw/zinc/33/08/28/1053330828.db2.gz GBZVLVMMXZIVLE-NSHDSACASA-N 0 0 303.352 4.010 20 10 DICDRN C[C@H]([NH2+]Cc1cccc(Cl)c1F)c1cc(F)cc(F)c1[O-] ZINC001320412028 1053332958 /nfs/dbraw/zinc/33/29/58/1053332958.db2.gz 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CCO[C@@H](C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)o1 ZINC001323827220 1053603445 /nfs/dbraw/zinc/60/34/45/1053603445.db2.gz SFBCFJPWUBGMJV-AWEZNQCLSA-N 0 0 311.385 4.242 20 10 DICDRN Cc1cc(-c2nnc(Cc3ccoc3)o2)c(C)n1-c1ccccc1 ZINC001324006156 1053617101 /nfs/dbraw/zinc/61/71/01/1053617101.db2.gz XFJBGZBYWSHLNP-UHFFFAOYSA-N 0 0 319.364 4.328 20 10 DICDRN Cc1cc(CC(=O)N[C@H](C)CC(C)C)c(C)n1-c1ccccc1 ZINC001435629481 1053623265 /nfs/dbraw/zinc/62/32/65/1053623265.db2.gz OREYNGVUUYYQLX-OAHLLOKOSA-N 0 0 312.457 4.187 20 10 DICDRN CC[C@H](F)C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC001353630054 1053629894 /nfs/dbraw/zinc/62/98/94/1053629894.db2.gz VQXQBWYGINNFLH-PBHICJAKSA-N 0 0 315.388 4.230 20 10 DICDRN Cc1cccc(C(C)C)c1NC(=S)NCc1ncccc1F ZINC001200408061 1053639450 /nfs/dbraw/zinc/63/94/50/1053639450.db2.gz BBCJLDDHZODDMB-UHFFFAOYSA-N 0 0 317.433 4.139 20 10 DICDRN Cn1ccc2cccc(NCc3ccc(N4CCCC4)cc3)c21 ZINC001324446550 1053654313 /nfs/dbraw/zinc/65/43/13/1053654313.db2.gz HFGMGHCBEPXTSD-UHFFFAOYSA-N 0 0 305.425 4.391 20 10 DICDRN CN(C)c1ccc(/N=N/c2ccc(O[C@@H]3CCOC3)cc2)cc1 ZINC001231249386 1053709350 /nfs/dbraw/zinc/70/93/50/1053709350.db2.gz OZVSBIYGHAMLKO-MLSMBGFSSA-N 0 0 311.385 4.336 20 10 DICDRN CC(=O)Nc1ccc(N[C@@H](C)c2ccc3ccccc3c2O)nc1 ZINC001325355530 1053715999 /nfs/dbraw/zinc/71/59/99/1053715999.db2.gz BXXAWZUJGSWVHV-LBPRGKRZSA-N 0 0 321.380 4.072 20 10 DICDRN Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2Nc1ccc2c(c1)ncn2C ZINC001325356401 1053716760 /nfs/dbraw/zinc/71/67/60/1053716760.db2.gz JWNHBKUOUJIRLN-WFASDCNBSA-N 0 0 307.397 4.248 20 10 DICDRN Cc1ccc(OC[C@H]2COC(=O)O2)c(/N=N/c2ccccc2)c1 ZINC001231327323 1053728264 /nfs/dbraw/zinc/72/82/64/1053728264.db2.gz QBWNVABBEWXPGT-HLAUDOPJSA-N 0 0 312.325 4.325 20 10 DICDRN Cc1cnn(-c2ccc(N[C@@H](C)c3ccccc3O)cc2F)c1 ZINC000183700951 1053730937 /nfs/dbraw/zinc/73/09/37/1053730937.db2.gz BEVWGOXTFSGBIW-ZDUSSCGKSA-N 0 0 311.360 4.199 20 10 DICDRN C/C(=C/C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1cccs1 ZINC001435953340 1053735464 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CCCCN(Cc1ccccc1O)C(=O)/C(C)=C\c1ccncc1 ZINC000848046300 1053815571 /nfs/dbraw/zinc/81/55/71/1053815571.db2.gz RSWISIIUKOZQQS-PEZBUJJGSA-N 0 0 324.424 4.019 20 10 DICDRN COc1ccc(O)c([C@@H](C)Nc2ccc(N3CCCC3)cc2)c1 ZINC000273505295 1053849887 /nfs/dbraw/zinc/84/98/87/1053849887.db2.gz QYTFCMZYRNTLEN-CQSZACIVSA-N 0 0 312.413 4.174 20 10 DICDRN CC[C@@H](Nc1cc(OC)c(OC)cc1C)c1ccccc1O ZINC000274808538 1053867989 /nfs/dbraw/zinc/86/79/89/1053867989.db2.gz XJURJVVXKCZDIR-CQSZACIVSA-N 0 0 301.386 4.281 20 10 DICDRN Cc1cc(C)c(CN(C)Cc2csc(C(C)C)n2)c(O)c1 ZINC001231846237 1053889162 /nfs/dbraw/zinc/88/91/62/1053889162.db2.gz IXICEUWNUHGBNU-UHFFFAOYSA-N 0 0 304.459 4.221 20 10 DICDRN COc1ccccc1CC[N@H+](C)Cc1cc(Cl)c(C)cc1O ZINC001231870882 1053898952 /nfs/dbraw/zinc/89/89/52/1053898952.db2.gz VXKOONYQWADPSO-UHFFFAOYSA-N 0 0 319.832 4.037 20 10 DICDRN Cc1cc(O)c(C[N@@H+]2CCC[C@H](c3ccccn3)C2)cc1Cl ZINC001231870872 1053900286 /nfs/dbraw/zinc/90/02/86/1053900286.db2.gz VSDNDSNYKGLRQN-AWEZNQCLSA-N 0 0 316.832 4.129 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)C=C2CCC(C)CC2)cc1 ZINC001354540655 1053902647 /nfs/dbraw/zinc/90/26/47/1053902647.db2.gz IDTXUUFWDTXLIX-UHFFFAOYSA-N 0 0 314.473 4.286 20 10 DICDRN C[N@H+](CC/C=C/c1cccnc1)Cc1ccc2ccccc2c1O ZINC001231882715 1053904612 /nfs/dbraw/zinc/90/46/12/1053904612.db2.gz LBILAFJESDNLEW-QPJJXVBHSA-N 0 0 318.420 4.476 20 10 DICDRN C[N@H+](Cc1ccc2ccccc2c1O)Cc1cccc(F)c1F ZINC001231883977 1053906452 /nfs/dbraw/zinc/90/64/52/1053906452.db2.gz WJEXGCDFNRLGMW-UHFFFAOYSA-N 0 0 313.347 4.456 20 10 DICDRN CC(C)(C)c1nsc(NCc2c(O)ccc3c2CCCC3)n1 ZINC001472708244 1053908937 /nfs/dbraw/zinc/90/89/37/1053908937.db2.gz LODWAJWYLFVHGW-UHFFFAOYSA-N 0 0 317.458 4.032 20 10 DICDRN Cc1cc([C@H](C)NCc2cc(F)c(N(C)C)cc2F)c(C)o1 ZINC001328759028 1053953908 /nfs/dbraw/zinc/95/39/08/1053953908.db2.gz ZUTPZCBVFUINJH-NSHDSACASA-N 0 0 308.372 4.091 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)c1cccc(C(F)(F)F)c1[O-] ZINC001329420620 1053989516 /nfs/dbraw/zinc/98/95/16/1053989516.db2.gz SBAKZGTXBOPAOF-GARJFASQSA-N 0 0 305.315 4.342 20 10 DICDRN COc1cc(O)c(C[N@H+]2Cc3ccccc3[C@@H](C)C2)cc1Cl ZINC001232266952 1054004795 /nfs/dbraw/zinc/00/47/95/1054004795.db2.gz TUHZTIVTFYHTRK-LBPRGKRZSA-N 0 0 317.816 4.174 20 10 DICDRN CO[C@H](C)c1cccc(NCc2cc(F)c(N(C)C)cc2F)c1 ZINC001329722688 1054005623 /nfs/dbraw/zinc/00/56/23/1054005623.db2.gz NVPDMJZDMWENDJ-GFCCVEGCSA-N 0 0 320.383 4.350 20 10 DICDRN Cc1cc(CC(=O)N[C@@H]2CCCC[C@@H]2C)c(C)n1-c1ccccc1 ZINC001354971163 1054016031 /nfs/dbraw/zinc/01/60/31/1054016031.db2.gz LVKYDPUIXKUODL-MGPUTAFESA-N 0 0 324.468 4.332 20 10 DICDRN Cc1cccnc1CC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000296331360 1054088081 /nfs/dbraw/zinc/08/80/81/1054088081.db2.gz HGRCHQXTSIAZEZ-OAHLLOKOSA-N 0 0 306.409 4.142 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1-c1nnc([C@H]2CCCO2)o1 ZINC001331941573 1054102644 /nfs/dbraw/zinc/10/26/44/1054102644.db2.gz JGQPVWFAMRVZCB-CYBMUJFWSA-N 0 0 315.398 4.057 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCC[C@@H](F)C2)cc1 ZINC001331987435 1054104379 /nfs/dbraw/zinc/10/43/79/1054104379.db2.gz ZZTIZSYBRQYNHP-IAGOWNOFSA-N 0 0 320.452 4.020 20 10 DICDRN CCCCN(C(=O)Cc1ccc(N)cc1)[C@H](C)c1ccc(C)o1 ZINC001333309046 1054150303 /nfs/dbraw/zinc/15/03/03/1054150303.db2.gz JXUOUYASDVJRPK-OAHLLOKOSA-N 0 0 314.429 4.103 20 10 DICDRN CC(C)CCOc1ccccc1NCc1nccn1C(F)F ZINC000848563001 1054151210 /nfs/dbraw/zinc/15/12/10/1054151210.db2.gz OZXPEBSUIQRRNG-UHFFFAOYSA-N 0 0 309.360 4.315 20 10 DICDRN C[C@H](Cc1ccccn1)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000848565814 1054152610 /nfs/dbraw/zinc/15/26/10/1054152610.db2.gz STXYHFWSFQBSRT-NEPJUHHUSA-N 0 0 324.346 4.088 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])C1CCC(F)(F)CC1 ZINC000848568069 1054154679 /nfs/dbraw/zinc/15/46/79/1054154679.db2.gz XQFUJRIKSQYCOR-MNOVXSKESA-N 0 0 301.352 4.396 20 10 DICDRN CC[C@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)c1ccc(F)cc1[O-] ZINC000848570361 1054154713 /nfs/dbraw/zinc/15/47/13/1054154713.db2.gz KMOOQBPBNOKLPM-HOCLYGCPSA-N 0 0 307.409 4.064 20 10 DICDRN Cc1cc(CNC(=O)[C@@H]2C[C@H]2C(C)C)c(C)n1-c1cccc(C)c1 ZINC001438293502 1054163585 /nfs/dbraw/zinc/16/35/85/1054163585.db2.gz ADRCJNNDRNOSHV-VQTJNVASSA-N 0 0 324.468 4.311 20 10 DICDRN Cc1cc(CNC(=O)c2ccsc2)c(C)n1-c1ccccc1 ZINC001438303240 1054164255 /nfs/dbraw/zinc/16/42/55/1054164255.db2.gz OAOGODJLADJLRL-UHFFFAOYSA-N 0 0 310.422 4.086 20 10 DICDRN [O-]c1c(C[N@@H+]2CCC[C@H](c3ccccc3)C2)ccc(F)c1F ZINC001233076597 1054179133 /nfs/dbraw/zinc/17/91/33/1054179133.db2.gz BMJITBMCEXLYCV-AWEZNQCLSA-N 0 0 303.352 4.050 20 10 DICDRN CC[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001233078124 1054182829 /nfs/dbraw/zinc/18/28/29/1054182829.db2.gz GVBMAQPCJRMQOM-MRXNPFEDSA-N 0 0 303.352 4.180 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCCCC2CC2)cc1 ZINC001438528761 1054186873 /nfs/dbraw/zinc/18/68/73/1054186873.db2.gz HHXJXENEOAHHIT-UHFFFAOYSA-N 0 0 310.441 4.404 20 10 DICDRN C[C@@H]1CCC[N@@H+]1Cc1c(O)ccc2cc(Br)ccc21 ZINC001233194032 1054199112 /nfs/dbraw/zinc/19/91/12/1054199112.db2.gz JWNCRHJZFIRASZ-LLVKDONJSA-N 0 0 320.230 4.292 20 10 DICDRN CC[C@H]1c2ccccc2CC[N@H+]1Cc1c([O-])ccc(F)c1F ZINC001233336128 1054238367 /nfs/dbraw/zinc/23/83/67/1054238367.db2.gz ZPSDBGYLYYVOSH-INIZCTEOSA-N 0 0 303.352 4.180 20 10 DICDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001233336708 1054238949 /nfs/dbraw/zinc/23/89/49/1054238949.db2.gz WPMBUCUHYKOMKK-AWEZNQCLSA-N 0 0 321.342 4.017 20 10 DICDRN CCC[C@H](CC1CCCC1)C(=O)NCc1ccc(N(C)C)cc1 ZINC001355878864 1054239395 /nfs/dbraw/zinc/23/93/95/1054239395.db2.gz MDBSFKOBNBVEPQ-GOSISDBHSA-N 0 0 316.489 4.365 20 10 DICDRN Cc1ccc([C@@H]2CCCCN2C(=O)NCc2ccc(N)cc2)cc1 ZINC001337018969 1054252673 /nfs/dbraw/zinc/25/26/73/1054252673.db2.gz NOESXTHYIZXJIN-IBGZPJMESA-N 0 0 323.440 4.014 20 10 DICDRN CC[N@H+](Cc1cccs1)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233419162 1054266134 /nfs/dbraw/zinc/26/61/34/1054266134.db2.gz 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ZINC001356390047 1054326712 /nfs/dbraw/zinc/32/67/12/1054326712.db2.gz KTDAJJBXQUBPFD-FNOHHLHBSA-N 0 0 312.800 4.289 20 10 DICDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N(C)C2CCC2)c1 ZINC001339479332 1054338887 /nfs/dbraw/zinc/33/88/87/1054338887.db2.gz IDLXWDQYZNWRFB-UHFFFAOYSA-N 0 0 316.832 4.372 20 10 DICDRN CC(C)c1cccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC001440663403 1054361286 /nfs/dbraw/zinc/36/12/86/1054361286.db2.gz PAMCPRXAEFHFMV-UHFFFAOYSA-N 0 0 310.441 4.148 20 10 DICDRN COc1ccc(N(Cc2ncc(C)o2)Cc2ccccc2)cc1 ZINC000072558879 1054376030 /nfs/dbraw/zinc/37/60/30/1054376030.db2.gz UOBHVQMYBPXARJ-UHFFFAOYSA-N 0 0 308.381 4.198 20 10 DICDRN Cc1cccc(NC(=O)NCc2ccc(N(C)C)cc2)c1Cl ZINC000072581262 1054400859 /nfs/dbraw/zinc/40/08/59/1054400859.db2.gz YICJKZQKHDZDJS-UHFFFAOYSA-N 0 0 317.820 4.036 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)c1ccccc1C ZINC001442343448 1054417135 /nfs/dbraw/zinc/41/71/35/1054417135.db2.gz PPFLRGFOGHLHJT-QGZVFWFLSA-N 0 0 324.468 4.213 20 10 DICDRN C[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)[C@@H](C)C(C)(C)C ZINC001442385485 1054418071 /nfs/dbraw/zinc/41/80/71/1054418071.db2.gz BRHWCCIXTNNJRN-HUUCEWRRSA-N 0 0 316.489 4.004 20 10 DICDRN C[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)[C@H](C)C(C)(C)C ZINC001442385484 1054419481 /nfs/dbraw/zinc/41/94/81/1054419481.db2.gz BRHWCCIXTNNJRN-GJZGRUSLSA-N 0 0 316.489 4.004 20 10 DICDRN CCSc1ccc(Cl)cc1NC(=O)c1cccc(O)c1O ZINC001443728140 1054457713 /nfs/dbraw/zinc/45/77/13/1054457713.db2.gz MZUXHGJTXGUFRN-UHFFFAOYSA-N 0 0 323.801 4.116 20 10 DICDRN CCc1ccc([C@@H]2CCCCCN2C(=O)C2=CC(=O)CS2)o1 ZINC001444344537 1054475698 /nfs/dbraw/zinc/47/56/98/1054475698.db2.gz INQYIGKAMMJNBO-AWEZNQCLSA-N 0 0 319.426 4.367 20 10 DICDRN CC1(C)CCC(NC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC001444694053 1054483647 /nfs/dbraw/zinc/48/36/47/1054483647.db2.gz ZJVGXUFRIPSYRW-UHFFFAOYSA-N 0 0 319.426 4.011 20 10 DICDRN O=C(NCc1ccccc1O)c1cc(Cl)cc2ccccc21 ZINC001445972027 1054522761 /nfs/dbraw/zinc/52/27/61/1054522761.db2.gz PUOJHJOVQITBPP-UHFFFAOYSA-N 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CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CC(C(C)(C)C)C1 ZINC001597775382 1055873062 /nfs/dbraw/zinc/87/30/62/1055873062.db2.gz XVAMISFOKNKYOA-UHFFFAOYSA-N 0 0 316.489 4.173 20 10 DICDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCCCC(C)C ZINC001597801103 1055876301 /nfs/dbraw/zinc/87/63/01/1055876301.db2.gz XFAUJXFJWBBJEO-KRWDZBQOSA-N 0 0 318.505 4.325 20 10 DICDRN CCCC[C@H](CC)CC(=O)NCc1ccc2c(c1)CCCN2C ZINC001597849863 1055883235 /nfs/dbraw/zinc/88/32/35/1055883235.db2.gz XVYZEFKGKSXKHD-INIZCTEOSA-N 0 0 316.489 4.292 20 10 DICDRN CCC[C@@](C)(CC)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001570418023 1055901124 /nfs/dbraw/zinc/90/11/24/1055901124.db2.gz CJTMOOZFPIKYLR-OXQOHEQNSA-N 0 0 318.505 4.325 20 10 DICDRN CC1=C(C)C[C@@](C)(C(=O)NCc2ccc3cccnc3c2O)CC1 ZINC001570533954 1055906296 /nfs/dbraw/zinc/90/62/96/1055906296.db2.gz YHVVXWHHWSOUHP-FQEVSTJZSA-N 0 0 324.424 4.083 20 10 DICDRN CN(c1ccccc1)c1cc(-c2cn(C)c3ccccc23)ncn1 ZINC001239532218 1055934646 /nfs/dbraw/zinc/93/46/46/1055934646.db2.gz UNRYFKWYUQWPKG-UHFFFAOYSA-N 0 0 314.392 4.403 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC(C1CC1)C1CC1 ZINC001540009721 1055953272 /nfs/dbraw/zinc/95/32/72/1055953272.db2.gz HVVWCDYTDMAGEG-UHFFFAOYSA-N 0 0 314.454 4.074 20 10 DICDRN Oc1cccc(Cl)c1CNCC(F)(F)c1cccc(F)c1 ZINC001620998427 1055968084 /nfs/dbraw/zinc/96/80/84/1055968084.db2.gz XSORNKTZYWXGRH-UHFFFAOYSA-N 0 0 315.722 4.066 20 10 DICDRN Cc1ccccc1[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C1CC1 ZINC001620791934 1055969196 /nfs/dbraw/zinc/96/91/96/1055969196.db2.gz DVBDMCCYWLLALN-QGZVFWFLSA-N 0 0 303.352 4.220 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH+]1CC(Cc2ccccc2Cl)C1 ZINC001621316465 1056021442 /nfs/dbraw/zinc/02/14/42/1056021442.db2.gz JSOOGHFGLVJNFN-UHFFFAOYSA-N 0 0 322.235 4.374 20 10 DICDRN Cc1cc(C(=O)N2CCCC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC001540357255 1056021557 /nfs/dbraw/zinc/02/15/57/1056021557.db2.gz IJFAEHJLLLBGDS-UHFFFAOYSA-N 0 0 310.441 4.454 20 10 DICDRN CCCC1(C(=O)N(C)Cc2ccc(N(CC)CC)cc2)CCC1 ZINC001540459568 1056034281 /nfs/dbraw/zinc/03/42/81/1056034281.db2.gz NHXFDSKCVRXIKC-UHFFFAOYSA-N 0 0 316.489 4.462 20 10 DICDRN CC(C)c1ccccc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001540705342 1056064031 /nfs/dbraw/zinc/06/40/31/1056064031.db2.gz WHTSNGFNARIZMQ-UHFFFAOYSA-N 0 0 310.357 4.225 20 10 DICDRN COC(=O)c1cc2ccc(-c3cnc4ccccc4c3)cc2n1C ZINC001239793902 1056077133 /nfs/dbraw/zinc/07/71/33/1056077133.db2.gz QXXFUQDRVNVRBL-UHFFFAOYSA-N 0 0 316.360 4.180 20 10 DICDRN CC[C@H]1CCC[C@@]1(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001540812070 1056080512 /nfs/dbraw/zinc/08/05/12/1056080512.db2.gz SVWTXTVAVINYLB-FXAWDEMLSA-N 0 0 314.473 4.119 20 10 DICDRN C[C@@H](Nc1ccc(N2CCCCC2)cn1)c1ccc(F)cc1O ZINC000186281097 1056087569 /nfs/dbraw/zinc/08/75/69/1056087569.db2.gz KEWOJALJFYKZEJ-CYBMUJFWSA-N 0 0 315.392 4.090 20 10 DICDRN COCCOc1ccc(N[C@@H](C)c2cc(C)ccc2O)c(C)c1 ZINC000186317549 1056104246 /nfs/dbraw/zinc/10/42/46/1056104246.db2.gz ADNLLKHZKPZHQG-HNNXBMFYSA-N 0 0 315.413 4.207 20 10 DICDRN Cc1c2ccccc2sc1[C@@H](C)NC(=O)C1=CC(=O)CS1 ZINC001611155703 1056118364 /nfs/dbraw/zinc/11/83/64/1056118364.db2.gz LPDDZMNHNZEBHY-SNVBAGLBSA-N 0 0 317.435 4.468 20 10 DICDRN CC[C@@H]1CC[C@@H](C)N1C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001583635900 1056124727 /nfs/dbraw/zinc/12/47/27/1056124727.db2.gz CWFFZRAQZWDLEN-DNVCBOLYSA-N 0 0 324.468 4.426 20 10 DICDRN CCN(C(=O)/C=C/c1cncc(O)c1)c1ccc2ccccc2c1 ZINC001542509860 1056128377 /nfs/dbraw/zinc/12/83/77/1056128377.db2.gz DBDYNAYWPXALDB-JXMROGBWSA-N 0 0 318.376 4.007 20 10 DICDRN CC/C(C)=C/C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC001583699584 1056144667 /nfs/dbraw/zinc/14/46/67/1056144667.db2.gz LZOXZVHKNIHUKW-JQIJEIRASA-N 0 0 314.473 4.428 20 10 DICDRN COc1cncc(-c2nccc3c2ccn3Cc2ccccc2)c1 ZINC001239927571 1056165245 /nfs/dbraw/zinc/16/52/45/1056165245.db2.gz YFZRZYKQUDATHL-UHFFFAOYSA-N 0 0 315.376 4.155 20 10 DICDRN CC(C)CC(CC(C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001543041450 1056170417 /nfs/dbraw/zinc/17/04/17/1056170417.db2.gz XXVHOMCEJKYOLT-UHFFFAOYSA-N 0 0 318.421 4.040 20 10 DICDRN Cc1cc(C(=O)NC[C@H]2CC2(C)C)c(C)n1-c1cccc(C)c1 ZINC001543274799 1056193984 /nfs/dbraw/zinc/19/39/84/1056193984.db2.gz GRDYNBBIJKRIEL-MRXNPFEDSA-N 0 0 310.441 4.178 20 10 DICDRN Cc1cc(N(C)C)ccc1CNC(=O)/C(F)=C\C1CCCCC1 ZINC001543309870 1056200235 /nfs/dbraw/zinc/20/02/35/1056200235.db2.gz JHKDJIVTUIWBOI-LDADJPATSA-N 0 0 318.436 4.111 20 10 DICDRN C[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001611952943 1056215213 /nfs/dbraw/zinc/21/52/13/1056215213.db2.gz OYNDBJUSLIXOGL-CXAGYDPISA-N 0 0 324.380 4.426 20 10 DICDRN O=C(C1=CC(=O)CS1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC001584015140 1056237742 /nfs/dbraw/zinc/23/77/42/1056237742.db2.gz IXYXVKAHPJCUDX-INIZCTEOSA-N 0 0 313.422 4.136 20 10 DICDRN COCCOc1ccc(F)cc1N[C@@H](C)c1ccc(C)cc1O ZINC000186429671 1056245163 /nfs/dbraw/zinc/24/51/63/1056245163.db2.gz SNRPVIGMNCNHDJ-ZDUSSCGKSA-N 0 0 319.376 4.038 20 10 DICDRN CN(Cc1ccccc1O)c1nc2c(cc(Cl)cc2F)s1 ZINC001612151430 1056245488 /nfs/dbraw/zinc/24/54/88/1056245488.db2.gz BFSFHUCYZKEKKC-UHFFFAOYSA-N 0 0 322.792 4.431 20 10 DICDRN C[C@H]([C@H](C)C(=O)NCc1ccc(N2CCCC2)cc1)C(C)(C)C ZINC001543592243 1056259783 /nfs/dbraw/zinc/25/97/83/1056259783.db2.gz ZUDIFPWYBALBJR-JKSUJKDBSA-N 0 0 316.489 4.221 20 10 DICDRN COc1ccc(O)c([C@@H](C)Nc2cccc([C@H](C)OC)c2)c1 ZINC000186439659 1056299186 /nfs/dbraw/zinc/29/91/86/1056299186.db2.gz OCNUIELGIGBVCB-OLZOCXBDSA-N 0 0 301.386 4.281 20 10 DICDRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@H]2C[C@H]2C1 ZINC001612510166 1056299308 /nfs/dbraw/zinc/29/93/08/1056299308.db2.gz UKJBAVZPSQHCJN-QDMKHBRRSA-N 0 0 322.364 4.036 20 10 DICDRN O=C(Nc1c2nonc2ccc1Cl)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001543805874 1056303033 /nfs/dbraw/zinc/30/30/33/1056303033.db2.gz OWTDECYACOKBCJ-IWIIMEHWSA-N 0 0 319.792 4.031 20 10 DICDRN CCc1cc2c(ncnc2NCc2cc(Cl)ccc2O)s1 ZINC001612580505 1056307503 /nfs/dbraw/zinc/30/75/03/1056307503.db2.gz HGODOMYQJQTFCA-UHFFFAOYSA-N 0 0 319.817 4.225 20 10 DICDRN Cc1ccc(C(=O)Nc2cccc(N3CCCCC3)c2)c(O)c1C ZINC001543904578 1056322766 /nfs/dbraw/zinc/32/27/66/1056322766.db2.gz AOOLVRQIKJSUPB-UHFFFAOYSA-N 0 0 324.424 4.252 20 10 DICDRN Cc1ccc(N(CC2CC2)C(=O)/C=C\c2ccc(C)nc2)cc1 ZINC001584379396 1056328224 /nfs/dbraw/zinc/32/82/24/1056328224.db2.gz QTIDXGGYMSKGKL-XFXZXTDPSA-N 0 0 306.409 4.155 20 10 DICDRN C[C@H](CCC(C)(C)C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001543996439 1056340729 /nfs/dbraw/zinc/34/07/29/1056340729.db2.gz APXNEIGPSACURW-SNVBAGLBSA-N 0 0 321.442 4.257 20 10 DICDRN COC(=O)c1cnc(SCc2ccc(Cl)cc2C)s1 ZINC001613812212 1056411517 /nfs/dbraw/zinc/41/15/17/1056411517.db2.gz JJPOKPJAFRUXHP-UHFFFAOYSA-N 0 0 313.831 4.184 20 10 DICDRN Cc1cc(CC(=O)N[C@@]2(C)CC=CCC2)c(C)n1-c1ccccc1 ZINC001584790834 1056417915 /nfs/dbraw/zinc/41/79/15/1056417915.db2.gz YHKQSYNKUWPVQD-NRFANRHFSA-N 0 0 322.452 4.252 20 10 DICDRN Cc1ccccc1[C@@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001128136683 1056445560 /nfs/dbraw/zinc/44/55/60/1056445560.db2.gz YARMMCBHVNXAKT-CVEARBPZSA-N 0 0 310.441 4.042 20 10 DICDRN FC1(F)Oc2cccc(CSc3ncc(Cl)s3)c2O1 ZINC001614769063 1056451101 /nfs/dbraw/zinc/45/11/01/1056451101.db2.gz WLGOHKDQLIQVBU-UHFFFAOYSA-N 0 0 321.757 4.410 20 10 DICDRN CC[C@@H](CC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)C(C)C ZINC001585263467 1056518424 /nfs/dbraw/zinc/51/84/24/1056518424.db2.gz DBLDTBMWDACGTJ-SJORKVTESA-N 0 0 318.505 4.181 20 10 DICDRN CCCC[C@@](C)(F)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001585264122 1056518798 /nfs/dbraw/zinc/51/87/98/1056518798.db2.gz MHYWRJABSLFVNL-HNAYVOBHSA-N 0 0 322.468 4.027 20 10 DICDRN Nc1ccc(Cl)cc1Nc1ccccc1C(=O)c1ccncc1 ZINC001212444010 1056546542 /nfs/dbraw/zinc/54/65/42/1056546542.db2.gz XWPWTSQWTWSQSB-UHFFFAOYSA-N 0 0 323.783 4.292 20 10 DICDRN C[C@@H](NC(=O)[C@H](F)CC1CCCCC1)c1ccc(N(C)C)cc1 ZINC001585423802 1056552477 /nfs/dbraw/zinc/55/24/77/1056552477.db2.gz LYIACOYCPADUCR-RDTXWAMCSA-N 0 0 320.452 4.238 20 10 DICDRN Cn1ccc2c1cccc2-c1cnc(Cl)n1[C@@H]1CCCCO1 ZINC001240543738 1056564891 /nfs/dbraw/zinc/56/48/91/1056564891.db2.gz 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CCC(CC)[C@H](C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001525107837 1059753964 /nfs/dbraw/zinc/75/39/64/1059753964.db2.gz WQKRTSILJBYJJT-INIZCTEOSA-N 0 0 316.489 4.318 20 10 DICDRN Cc1cc(CN2CCCC(F)(F)C2)ccc1N1CCCCC1 ZINC001559969244 1059776008 /nfs/dbraw/zinc/77/60/08/1059776008.db2.gz YACAKPBMHRLBPV-UHFFFAOYSA-N 0 0 308.416 4.216 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CC[C@@H](C)C1 ZINC001533142749 1059805299 /nfs/dbraw/zinc/80/52/99/1059805299.db2.gz KBJQRXQUVBGKHL-AEFFLSMTSA-N 0 0 316.489 4.316 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCC1(C)CC1 ZINC001533143818 1059805662 /nfs/dbraw/zinc/80/56/62/1059805662.db2.gz QMJWKRLUCHDSNZ-UHFFFAOYSA-N 0 0 302.462 4.070 20 10 DICDRN Cc1cc(CC(=O)NCCCC(C)C)c(C)n1-c1ccccc1 ZINC001533250406 1059841207 /nfs/dbraw/zinc/84/12/07/1059841207.db2.gz LVYYSERCPDQHRU-UHFFFAOYSA-N 0 0 312.457 4.189 20 10 DICDRN Cc1cc(CC(=O)N2[C@@H](C)CC[C@@H]2C)c(C)n1-c1ccccc1 ZINC001533400469 1059886624 /nfs/dbraw/zinc/88/66/24/1059886624.db2.gz 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ZINC001534421077 1060263826 /nfs/dbraw/zinc/26/38/26/1060263826.db2.gz HXVGMVJMNMUCRR-KTKRTIGZSA-N 0 0 324.399 4.339 20 10 DICDRN CCc1cccc(C)c1NC(=S)N(C)Cc1ccccc1O ZINC001249548366 1060283104 /nfs/dbraw/zinc/28/31/04/1060283104.db2.gz VXNUUYFHQQIQPU-UHFFFAOYSA-N 0 0 314.454 4.092 20 10 DICDRN Cc1c2ccccc2n(C)c1CNc1cncc2c1CCCC2 ZINC001560531443 1060334877 /nfs/dbraw/zinc/33/48/77/1060334877.db2.gz AKFFPCLDBAYANK-UHFFFAOYSA-N 0 0 305.425 4.373 20 10 DICDRN Cc1cc(CNC(=O)C2CC3(CCC3)C2)c(C)n1-c1ccccc1 ZINC001534765598 1060363306 /nfs/dbraw/zinc/36/33/06/1060363306.db2.gz GSZVMGQHWHIIFF-UHFFFAOYSA-N 0 0 322.452 4.291 20 10 DICDRN COc1cc(CNc2cnc(C)c(C)c2)c(O)c(C(C)(C)C)c1 ZINC001560571034 1060381759 /nfs/dbraw/zinc/38/17/59/1060381759.db2.gz DXHYDAVNRWSGCF-UHFFFAOYSA-N 0 0 314.429 4.322 20 10 DICDRN CC(C)COc1ncc(N(C)c2ccc(N)cc2)cc1Cl ZINC001249778276 1060395619 /nfs/dbraw/zinc/39/56/19/1060395619.db2.gz DOQGPLIGZMVNDU-UHFFFAOYSA-N 0 0 305.809 4.120 20 10 DICDRN C[C@H]1Cc2cc(NCc3cc(Cl)cc(F)c3O)ccc2O1 ZINC001560604829 1060419746 /nfs/dbraw/zinc/41/97/46/1060419746.db2.gz LDDYERPAMDFORW-VIFPVBQESA-N 0 0 307.752 4.120 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCCc2ccccc2C1 ZINC001560616187 1060430308 /nfs/dbraw/zinc/43/03/08/1060430308.db2.gz SDSLZBMUHWOJDB-INIZCTEOSA-N 0 0 301.817 4.083 20 10 DICDRN CCC[N@H+](Cc1ccc(F)cc1)Cc1ccc(F)c(F)c1[O-] ZINC001560693453 1060545951 /nfs/dbraw/zinc/54/59/51/1060545951.db2.gz ALMXRUHFZYHANL-UHFFFAOYSA-N 0 0 309.331 4.222 20 10 DICDRN Cc1ccc(CN[C@@H](CCc2ccccc2)C(F)(F)F)c(O)c1 ZINC001560709595 1060566356 /nfs/dbraw/zinc/56/63/56/1060566356.db2.gz NJGYZUYHRQHHBG-KRWDZBQOSA-N 0 0 323.358 4.354 20 10 DICDRN C[C@H]1CN(C/C=C\c2ccc(N(C)C)cc2)c2ccccc2O1 ZINC001560733871 1060601575 /nfs/dbraw/zinc/60/15/75/1060601575.db2.gz COUCAICSHNPOQG-WLMCBFPDSA-N 0 0 308.425 4.053 20 10 DICDRN COc1ccc2c(c1)CCCN2Cc1cnc(CC(C)C)s1 ZINC001560742472 1060608828 /nfs/dbraw/zinc/60/88/28/1060608828.db2.gz CITDPYBGUJPSEP-UHFFFAOYSA-N 0 0 316.470 4.303 20 10 DICDRN COc1ccc(N(C)C[C@H]2CCOc3ccccc32)cc1Cl ZINC001560746446 1060612973 /nfs/dbraw/zinc/61/29/73/1060612973.db2.gz ZJAALPZBCAOBOP-CYBMUJFWSA-N 0 0 317.816 4.351 20 10 DICDRN COCCCC1(CN(C)c2ccc(OC)c(Cl)c2)CCC1 ZINC001560746283 1060613009 /nfs/dbraw/zinc/61/30/09/1060613009.db2.gz RXKDKGONCOUGPC-UHFFFAOYSA-N 0 0 311.853 4.382 20 10 DICDRN C[C@@]1([NH2+]Cc2ccc(F)c(F)c2[O-])CCCc2ccccc21 ZINC001560747733 1060616487 /nfs/dbraw/zinc/61/64/87/1060616487.db2.gz WPWYFYSORYUONM-GOSISDBHSA-N 0 0 303.352 4.012 20 10 DICDRN COc1ccc(CN(C)c2ccc(OC(C)C)cc2)c(F)c1 ZINC001560758269 1060625711 /nfs/dbraw/zinc/62/57/11/1060625711.db2.gz RRLUCYATMZYKPG-UHFFFAOYSA-N 0 0 303.377 4.258 20 10 DICDRN CC[C@H]([NH2+]Cc1cccc(Br)c1[O-])[C@@H]1CC1(C)C ZINC001560807526 1060669129 /nfs/dbraw/zinc/66/91/29/1060669129.db2.gz IBXNZQVDQGVEBE-AAEUAGOBSA-N 0 0 312.251 4.069 20 10 DICDRN CN(C)c1ccc(/C=C/CN2CCCN(C)c3ccccc32)cc1 ZINC001560865609 1060724440 /nfs/dbraw/zinc/72/44/40/1060724440.db2.gz FQIGMRDWKIDCMP-SOFGYWHQSA-N 0 0 321.468 4.112 20 10 DICDRN CCSc1cccc(C[NH2+]Cc2cc(F)c(F)cc2[O-])c1 ZINC001560868782 1060729514 /nfs/dbraw/zinc/72/95/14/1060729514.db2.gz NKARQNXWYULNEE-UHFFFAOYSA-N 0 0 309.381 4.072 20 10 DICDRN COc1ccc(N(C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC001560917902 1060778554 /nfs/dbraw/zinc/77/85/54/1060778554.db2.gz CMHGFNCXVSVSBP-SDNWHVSQSA-N 0 0 312.369 4.143 20 10 DICDRN CC(C)c1ccc2c(c1)C[N@@H+](Cc1ccc(F)c(F)c1[O-])CC2 ZINC001560922204 1060785579 /nfs/dbraw/zinc/78/55/79/1060785579.db2.gz NDBHZXCMFSGQBA-UHFFFAOYSA-N 0 0 317.379 4.352 20 10 DICDRN Cc1cc(O)c(CNc2ccc3c(c2)COC(=O)N3)cc1Cl ZINC001560932934 1060794858 /nfs/dbraw/zinc/79/48/58/1060794858.db2.gz YFVGWKAGKUPLSK-UHFFFAOYSA-N 0 0 318.760 4.028 20 10 DICDRN CCCSc1ccc2[nH]c(-c3ccc(O)c(O)c3)nc2c1 ZINC001250464641 1060821463 /nfs/dbraw/zinc/82/14/63/1060821463.db2.gz HBMVYLUZFOZNMU-UHFFFAOYSA-N 0 0 300.383 4.143 20 10 DICDRN Oc1ccc(-c2nc3ccc(F)cc3n2C2CCCC2)cc1O ZINC001250464637 1060822947 /nfs/dbraw/zinc/82/29/47/1060822947.db2.gz GZIDVDCFZLRBCS-UHFFFAOYSA-N 0 0 312.344 4.369 20 10 DICDRN COc1ccc2nc(-c3ccc(N(C)C)cc3)n(C3CC3)c2c1 ZINC001250468993 1060828041 /nfs/dbraw/zinc/82/80/41/1060828041.db2.gz YLFITXHZAUPRIG-UHFFFAOYSA-N 0 0 307.397 4.113 20 10 DICDRN CC(C)[C@](C)(Cc1ccccc1)[NH2+]Cc1cccc(F)c1[O-] ZINC001560968432 1060831856 /nfs/dbraw/zinc/83/18/56/1060831856.db2.gz LCKHZHGQYLHASJ-IBGZPJMESA-N 0 0 301.405 4.278 20 10 DICDRN Oc1cccc2c1CN(Cc1ccc(F)cc1C(F)(F)F)C2 ZINC001560978285 1060843532 /nfs/dbraw/zinc/84/35/32/1060843532.db2.gz NRQXFGCUQKKKNT-UHFFFAOYSA-N 0 0 311.278 4.066 20 10 DICDRN CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1c([O-])cccc1F ZINC001561015742 1060873021 /nfs/dbraw/zinc/87/30/21/1060873021.db2.gz FXWSWLNCZSPLGM-AWEZNQCLSA-N 0 0 307.796 4.296 20 10 DICDRN [O-]c1cccc(F)c1C[NH2+]C1CCC(c2ccc(O)cc2)CC1 ZINC001561015899 1060873626 /nfs/dbraw/zinc/87/36/26/1060873626.db2.gz KCAVDYYYJAUPNM-UHFFFAOYSA-N 0 0 315.388 4.053 20 10 DICDRN CC(C)C[N@H+](Cc1ccccn1)Cc1c([O-])ccc(Cl)c1F ZINC001561017032 1060873688 /nfs/dbraw/zinc/87/36/88/1060873688.db2.gz NPFZGYPKKVLDMZ-UHFFFAOYSA-N 0 0 322.811 4.238 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001561043584 1060896009 /nfs/dbraw/zinc/89/60/09/1060896009.db2.gz BCRATNSIYDFLHL-CYBMUJFWSA-N 0 0 322.235 4.346 20 10 DICDRN CCc1cccc(CNc2ccc(Cl)c(C(=O)OC)c2)c1O ZINC001561057483 1060905941 /nfs/dbraw/zinc/90/59/41/1060905941.db2.gz QBCGRKWXQSEHCI-UHFFFAOYSA-N 0 0 319.788 4.007 20 10 DICDRN O=C(Nc1ccc2sccc2c1)N1Cc2cccc(O)c2C1 ZINC001562058286 1060969244 /nfs/dbraw/zinc/96/92/44/1060969244.db2.gz ONIFAFAYNABNEV-UHFFFAOYSA-N 0 0 310.378 4.155 20 10 DICDRN [O-]c1cc(Cl)ccc1C[NH2+]CC1CC(c2ccccc2)C1 ZINC001462149916 1060972132 /nfs/dbraw/zinc/97/21/32/1060972132.db2.gz HKOKJHXPEUCJPT-UHFFFAOYSA-N 0 0 301.817 4.329 20 10 DICDRN COc1ccc2[nH]c(-c3ccc(N4CCCCC4)cc3)nc2c1 ZINC001250687345 1061019311 /nfs/dbraw/zinc/01/93/11/1061019311.db2.gz LXLGEUUUKOTJAT-UHFFFAOYSA-N 0 0 307.397 4.229 20 10 DICDRN CCN(CCOc1ccc(F)cc1Cl)c1ccc(OC)cc1 ZINC001473246645 1061021722 /nfs/dbraw/zinc/02/17/22/1061021722.db2.gz JOLSWNRVZVXFHQ-UHFFFAOYSA-N 0 0 323.795 4.393 20 10 DICDRN COc1ccc(N(C)Cc2cccc(OC)c2C)cc1Cl ZINC001473251804 1061026854 /nfs/dbraw/zinc/02/68/54/1061026854.db2.gz XBOAHLREYFAGGF-UHFFFAOYSA-N 0 0 305.805 4.302 20 10 DICDRN COCc1ccc(CN(C)c2ccc(OC)c(Cl)c2)cc1 ZINC001473250466 1061027755 /nfs/dbraw/zinc/02/77/55/1061027755.db2.gz JCVZKKZFQTXVSC-UHFFFAOYSA-N 0 0 305.805 4.131 20 10 DICDRN COc1ccc(N(C)CCOCc2ccccc2)cc1Cl ZINC001473251679 1061029192 /nfs/dbraw/zinc/02/91/92/1061029192.db2.gz VSUGVRKKSZLXSP-UHFFFAOYSA-N 0 0 305.805 4.002 20 10 DICDRN CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC001473273005 1061044758 /nfs/dbraw/zinc/04/47/58/1061044758.db2.gz MFSWXPLSAYHLLX-SJKOYZFVSA-N 0 0 307.409 4.135 20 10 DICDRN CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC001473273003 1061044809 /nfs/dbraw/zinc/04/48/09/1061044809.db2.gz MFSWXPLSAYHLLX-SJCJKPOMSA-N 0 0 307.409 4.135 20 10 DICDRN CN(Cc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCO2 ZINC001473284664 1061055289 /nfs/dbraw/zinc/05/52/89/1061055289.db2.gz OBLOBKAWHSUZHP-UHFFFAOYSA-N 0 0 310.180 4.359 20 10 DICDRN CCc1ccc([C@@H]2CC[N@H+](Cc3cc(F)c(F)cc3[O-])C2)cc1 ZINC001462279907 1061074915 /nfs/dbraw/zinc/07/49/15/1061074915.db2.gz DIEBIGOKQXJEQB-OAHLLOKOSA-N 0 0 317.379 4.222 20 10 DICDRN CCc1cccc(CN2CCCCc3c(OC)cccc32)c1O ZINC001462291441 1061082740 /nfs/dbraw/zinc/08/27/40/1061082740.db2.gz OJYODRGTQPHCFN-UHFFFAOYSA-N 0 0 311.425 4.306 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001462296064 1061086138 /nfs/dbraw/zinc/08/61/38/1061086138.db2.gz PZHGSOOWUXVVMN-ZDUSSCGKSA-N 0 0 319.807 4.394 20 10 DICDRN COc1cc(C)c(CN2CCC(C)(C)c3ccccc32)c(O)c1 ZINC001462298101 1061088677 /nfs/dbraw/zinc/08/86/77/1061088677.db2.gz RGFHBIYHCMIWTJ-UHFFFAOYSA-N 0 0 311.425 4.397 20 10 DICDRN CCc1cccc(N(C)Cc2cc(F)c(N(C)C)cc2F)c1 ZINC001462307758 1061097240 /nfs/dbraw/zinc/09/72/40/1061097240.db2.gz AQZLGTRLNZQJKA-UHFFFAOYSA-N 0 0 304.384 4.230 20 10 DICDRN COc1cccc2c1nc(-c1ccccc1-c1cccnc1)n2C ZINC001250862150 1061100535 /nfs/dbraw/zinc/10/05/35/1061100535.db2.gz YKIYMWXJPHNBLL-UHFFFAOYSA-N 0 0 315.376 4.311 20 10 DICDRN C[N@H+](Cc1cc(F)cc(F)c1[O-])[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001462335291 1061112418 /nfs/dbraw/zinc/11/24/18/1061112418.db2.gz RNUDIOWPMRBFPG-SJLPKXTDSA-N 0 0 317.379 4.439 20 10 DICDRN CC(C)c1ccc(O)c(CNc2cccc([C@H]3CCC(=O)N3)c2)c1 ZINC001462347861 1061122005 /nfs/dbraw/zinc/12/20/05/1061122005.db2.gz FDSKEWLPXRESFU-GOSISDBHSA-N 0 0 324.424 4.079 20 10 DICDRN CC(C)Oc1ccc(N(C)Cc2cnc(Cl)c(F)c2)cc1 ZINC001473380101 1061122002 /nfs/dbraw/zinc/12/20/02/1061122002.db2.gz PDQMBHIEIGJXDW-UHFFFAOYSA-N 0 0 308.784 4.298 20 10 DICDRN COc1ccc(N(CCC(C)C)C[C@H]2CCO[C@@H](C)C2)cc1 ZINC001473445218 1061163605 /nfs/dbraw/zinc/16/36/05/1061163605.db2.gz DAAMLKQTCNNSNK-IRXDYDNUSA-N 0 0 305.462 4.363 20 10 DICDRN COc1ccc(N(Cc2ccc(C)c(OC)c2)CC2CC2)cc1 ZINC001473486157 1061185016 /nfs/dbraw/zinc/18/50/16/1061185016.db2.gz QNUZEEBUAHLKDB-UHFFFAOYSA-N 0 0 311.425 4.429 20 10 DICDRN CC1(C)C[C@@]1([NH2+]Cc1cccc(Cl)c1[O-])c1ccccc1 ZINC001462461093 1061188070 /nfs/dbraw/zinc/18/80/70/1061188070.db2.gz NHNRAZFQASJOBN-GOSISDBHSA-N 0 0 301.817 4.461 20 10 DICDRN CN(C)c1ccc(NCc2ccc3ccccc3c2O)cc1F ZINC001462522699 1061231247 /nfs/dbraw/zinc/23/12/47/1061231247.db2.gz ZHGBOSUYVFQVMK-UHFFFAOYSA-N 0 0 310.372 4.363 20 10 DICDRN Cc1cc(C(=O)N[C@@H]2CC[C@@H](C)C2)c(C)n1-c1ccccc1C ZINC001455833510 1061236876 /nfs/dbraw/zinc/23/68/76/1061236876.db2.gz LIHWEFLPGLWIOJ-CXAGYDPISA-N 0 0 310.441 4.321 20 10 DICDRN CC[C@@H](CC(F)F)CN1CCCc2cc(OC)cc(OC)c21 ZINC001473553729 1061241078 /nfs/dbraw/zinc/24/10/78/1061241078.db2.gz OYNZRDOWDOROGJ-LBPRGKRZSA-N 0 0 313.388 4.138 20 10 DICDRN COc1ccc(N(C)Cc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC001473613572 1061285686 /nfs/dbraw/zinc/28/56/86/1061285686.db2.gz WJEGXLJQIRHOTA-UHFFFAOYSA-N 0 0 317.257 4.027 20 10 DICDRN C/C(=C/c1cccnc1)C(=O)N(CC1CC1)c1ccc(C)cc1 ZINC001462772569 1061354935 /nfs/dbraw/zinc/35/49/35/1061354935.db2.gz BBPNAFVGAGXIET-VBKFSLOCSA-N 0 0 306.409 4.237 20 10 DICDRN C/C(=C\c1cccnc1)C(=O)N(CC1CC1)c1ccc(C)cc1 ZINC001462772566 1061355616 /nfs/dbraw/zinc/35/56/16/1061355616.db2.gz BBPNAFVGAGXIET-FOWTUZBSSA-N 0 0 306.409 4.237 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CCCc2ccccc21 ZINC001473920989 1061470235 /nfs/dbraw/zinc/47/02/35/1061470235.db2.gz AWFXHUZANRQFMU-CYBMUJFWSA-N 0 0 319.807 4.394 20 10 DICDRN Cc1ncccc1/C=C/C(=O)N1CC(C)(C)Sc2ccccc21 ZINC001457589280 1061472442 /nfs/dbraw/zinc/47/24/42/1061472442.db2.gz BZVFPPBMJUMNDU-ZHACJKMWSA-N 0 0 324.449 4.321 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCc1ccc(Cl)s1 ZINC001473937852 1061481664 /nfs/dbraw/zinc/48/16/64/1061481664.db2.gz PKRMORSSXBSUQV-UHFFFAOYSA-N 0 0 320.216 4.232 20 10 DICDRN Cc1cc(C(=O)NC2CCCC2)c(C)n1-c1cccc(Cl)c1 ZINC001463602142 1061504732 /nfs/dbraw/zinc/50/47/32/1061504732.db2.gz GILIWWLWFXCWMY-UHFFFAOYSA-N 0 0 316.832 4.420 20 10 DICDRN CC[C@H]1CCC[C@@H]1C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC001463779576 1061520588 /nfs/dbraw/zinc/52/05/88/1061520588.db2.gz RFNZBMZVIOJLIL-HKUYNNGSSA-N 0 0 316.489 4.318 20 10 DICDRN Fc1ccc(Cc2nnc(-c3ccc(-n4cccc4)cc3)o2)cc1 ZINC001251883773 1061523968 /nfs/dbraw/zinc/52/39/68/1061523968.db2.gz WUAZCIMZEJOLKI-UHFFFAOYSA-N 0 0 319.339 4.257 20 10 DICDRN CC(C)Oc1ccc([C@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC001473983445 1061527018 /nfs/dbraw/zinc/52/70/18/1061527018.db2.gz MJQSDNDCRPLHAL-LBPRGKRZSA-N 0 0 321.367 4.308 20 10 DICDRN CC(C)(C[NH2+]Cc1cc(Cl)cc(F)c1[O-])c1cccs1 ZINC001474001886 1061542840 /nfs/dbraw/zinc/54/28/40/1061542840.db2.gz FQGXXXFMEXNRMX-UHFFFAOYSA-N 0 0 313.825 4.314 20 10 DICDRN O=C(c1ccccc1)c1ccccc1NC[C@H](O)c1ccccc1 ZINC001251995311 1061550302 /nfs/dbraw/zinc/55/03/02/1061550302.db2.gz KLNVUENWQQDIOI-FQEVSTJZSA-N 0 0 317.388 4.063 20 10 DICDRN CN(C)c1ccc(/C=C/c2nnc(-c3ccc(F)cc3)o2)cc1 ZINC001252201438 1061608602 /nfs/dbraw/zinc/60/86/02/1061608602.db2.gz DEQKDYNCWQPHLD-LFYBBSHMSA-N 0 0 309.344 4.112 20 10 DICDRN Cc1cc(CC(=O)N2CCC[C@H](C)CC2)c(C)n1-c1ccccc1 ZINC001464597129 1061610892 /nfs/dbraw/zinc/61/08/92/1061610892.db2.gz MDENLHZBTDIQKD-INIZCTEOSA-N 0 0 324.468 4.285 20 10 DICDRN CS[C@@H]1CC[C@@H]([N@H+](C)Cc2c(O)ccc3ccccc32)C1 ZINC001252248712 1061616087 /nfs/dbraw/zinc/61/60/87/1061616087.db2.gz XRCAIIULFWYCKX-HUUCEWRRSA-N 0 0 301.455 4.261 20 10 DICDRN CC(C)COc1ccc(NCc2c(O)ccc(Cl)c2F)cn1 ZINC001474079777 1061627969 /nfs/dbraw/zinc/62/79/69/1061627969.db2.gz GEBOXFRVVWGGNR-UHFFFAOYSA-N 0 0 324.783 4.227 20 10 DICDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001474133820 1061679326 /nfs/dbraw/zinc/67/93/26/1061679326.db2.gz AWJFSHDBOQBYIX-MLGOLLRUSA-N 0 0 321.342 4.235 20 10 DICDRN CN(C)c1ccc(/C=C\CNc2ccc3oc(CO)cc3c2)cc1 ZINC001474197563 1061747751 /nfs/dbraw/zinc/74/77/51/1061747751.db2.gz DAZGXFJNAYQBOB-ARJAWSKDSA-N 0 0 322.408 4.116 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CC1CCC(F)CC1 ZINC001474198658 1061751887 /nfs/dbraw/zinc/75/18/87/1061751887.db2.gz SOTDDGQLTNICHT-UHFFFAOYSA-N 0 0 306.208 4.317 20 10 DICDRN Cc1cc(O)c(C[NH2+]CC[C@@]2(C)C[C@]2(F)Cl)c(Cl)c1 ZINC001474200776 1061753059 /nfs/dbraw/zinc/75/30/59/1061753059.db2.gz RTHLTXAWGBGWFA-UONOGXRCSA-N 0 0 306.208 4.148 20 10 DICDRN Cc1cc(O)c(C[NH2+]CC[C@]2(C)C[C@@]2(F)Cl)c(Cl)c1 ZINC001474200774 1061754020 /nfs/dbraw/zinc/75/40/20/1061754020.db2.gz RTHLTXAWGBGWFA-KGLIPLIRSA-N 0 0 306.208 4.148 20 10 DICDRN CCN(CC)c1ccc(CNc2cn(C)nc2-c2ccco2)cc1 ZINC001474213757 1061768548 /nfs/dbraw/zinc/76/85/48/1061768548.db2.gz BCHSOQHIJVYHNH-UHFFFAOYSA-N 0 0 324.428 4.138 20 10 DICDRN C[C@H](NC(=O)Nc1cc(F)ccc1Cl)c1ccccc1O ZINC001465535371 1061771351 /nfs/dbraw/zinc/77/13/51/1061771351.db2.gz HOVCIYKBIZJKQC-VIFPVBQESA-N 0 0 308.740 4.067 20 10 DICDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CCCC23CCCCC3)c1 ZINC001253003864 1061782648 /nfs/dbraw/zinc/78/26/48/1061782648.db2.gz DVBVGCGHWQNUNM-KRWDZBQOSA-N 0 0 316.445 4.003 20 10 DICDRN Cc1c2ccccc2n(C)c1CNc1ccc(N(C)C)c(F)c1 ZINC001474243308 1061809922 /nfs/dbraw/zinc/80/99/22/1061809922.db2.gz FGRKKPKKBPSCAZ-UHFFFAOYSA-N 0 0 311.404 4.304 20 10 DICDRN CC(C)OC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCC1 ZINC001474256743 1061826850 /nfs/dbraw/zinc/82/68/50/1061826850.db2.gz WROIJQRBDPLIEF-UHFFFAOYSA-N 0 0 318.244 4.136 20 10 DICDRN C[C@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1ccccc1O ZINC001458542489 1061828770 /nfs/dbraw/zinc/82/87/70/1061828770.db2.gz BHWKBFSMADMFAR-VIFPVBQESA-N 0 0 324.283 4.075 20 10 DICDRN CC(C)n1cc(Cl)c(NCc2ccc(N3CCCC3)cc2)n1 ZINC001474272866 1061839144 /nfs/dbraw/zinc/83/91/44/1061839144.db2.gz YNVAKJSXVPGMBF-UHFFFAOYSA-N 0 0 318.852 4.330 20 10 DICDRN COc1ccc(CSc2ncc(Cl)s2)c(OC)c1 ZINC001458573547 1061843990 /nfs/dbraw/zinc/84/39/90/1061843990.db2.gz PBSLENPTGPAPMW-UHFFFAOYSA-N 0 0 301.820 4.106 20 10 DICDRN O=C(NCc1cc(Cl)ccc1O)Nc1ccc(C2CC2)cc1 ZINC001466026854 1061862923 /nfs/dbraw/zinc/86/29/23/1061862923.db2.gz JJIZAPOMEQPDSA-UHFFFAOYSA-N 0 0 316.788 4.245 20 10 DICDRN Oc1c(Cl)cccc1CNc1ncncc1-c1ccccc1 ZINC001458699788 1061878240 /nfs/dbraw/zinc/87/82/40/1061878240.db2.gz PRDHYNBGJAQQAD-UHFFFAOYSA-N 0 0 311.772 4.115 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[C@H]1C(C)C ZINC001466417843 1061935927 /nfs/dbraw/zinc/93/59/27/1061935927.db2.gz IPTCAEOTBLSHSB-SFHVURJKSA-N 0 0 310.441 4.273 20 10 DICDRN O[C@H](CSc1nccs1)c1ccc(Cl)c(Cl)c1 ZINC001458909263 1061939714 /nfs/dbraw/zinc/93/97/14/1061939714.db2.gz HDTICHKPNDEIIO-SNVBAGLBSA-N 0 0 306.239 4.276 20 10 DICDRN CC1(C)C[N@H+](Cc2cc(F)c(F)cc2[O-])[C@H]1c1ccccc1 ZINC001474341116 1061942328 /nfs/dbraw/zinc/94/23/28/1061942328.db2.gz KPEAEOARRPGOOA-KRWDZBQOSA-N 0 0 303.352 4.254 20 10 DICDRN Cc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001474347404 1061951554 /nfs/dbraw/zinc/95/15/54/1061951554.db2.gz QXXVBTPNIDWPLL-INIZCTEOSA-N 0 0 317.379 4.186 20 10 DICDRN 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C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])[C@H]1c1ccccc1 ZINC001308608846 1066114163 /nfs/dbraw/zinc/11/41/63/1066114163.db2.gz KTLRRBUEZQGDLH-BDJLRTHQSA-N 0 0 305.780 4.378 20 10 DICDRN C[C@@]1(c2ccccc2)CCC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001308607101 1066114808 /nfs/dbraw/zinc/11/48/08/1066114808.db2.gz JGMQKAAVWSFGAW-LJQANCHMSA-N 0 0 317.379 4.224 20 10 DICDRN Cc1ccc(C[N@H+](Cc2cc(F)c(F)cc2[O-])C(C)C)s1 ZINC001308632364 1066128210 /nfs/dbraw/zinc/12/82/10/1066128210.db2.gz YDBPHKSSKJHMSW-UHFFFAOYSA-N 0 0 311.397 4.451 20 10 DICDRN COc1ccc2c(c1)CCN2Cc1cc2cc(Cl)cnc2o1 ZINC001308634182 1066128595 /nfs/dbraw/zinc/12/85/95/1066128595.db2.gz GAOBURAPIUCSMT-UHFFFAOYSA-N 0 0 314.772 4.053 20 10 DICDRN COc1ccc2c(c1)CCN2Cc1cccc(-c2ccccn2)c1 ZINC001308634936 1066130392 /nfs/dbraw/zinc/13/03/92/1066130392.db2.gz PWUQWFPYFYTQES-UHFFFAOYSA-N 0 0 316.404 4.320 20 10 DICDRN C[N@H+](Cc1ccc2ccccc2c1)Cc1cc(F)cc(F)c1[O-] ZINC001308649145 1066137014 /nfs/dbraw/zinc/13/70/14/1066137014.db2.gz 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/nfs/dbraw/zinc/19/26/14/1066192614.db2.gz NPEAYGFJIRGTEL-SNVBAGLBSA-N 0 0 324.207 4.487 20 10 DICDRN Cc1ccccc1[C@]1(F)CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001308718789 1066196778 /nfs/dbraw/zinc/19/67/78/1066196778.db2.gz SPUNHZCXOIAZOP-SFHVURJKSA-N 0 0 319.807 4.425 20 10 DICDRN CCCC[C@H](CC)[NH2+]Cc1cccc(Br)c1[O-] ZINC001308739949 1066214386 /nfs/dbraw/zinc/21/43/86/1066214386.db2.gz AEPRXDCOWQAFOX-LBPRGKRZSA-N 0 0 300.240 4.213 20 10 DICDRN CC[C@@]1(C)CCC[C@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC001308742818 1066215149 /nfs/dbraw/zinc/21/51/49/1066215149.db2.gz XTVNATAWANWCEH-HIFRSBDPSA-N 0 0 312.251 4.213 20 10 DICDRN COc1cc(C)c(CNc2cc(C)c(OC)cc2Cl)c(O)c1 ZINC001308795065 1066272161 /nfs/dbraw/zinc/27/21/61/1066272161.db2.gz LQYQLVOAFOEZNU-UHFFFAOYSA-N 0 0 321.804 4.292 20 10 DICDRN COc1ccc(O)c(CN2CCCSc3cc(C)ccc32)c1 ZINC001308797597 1066272537 /nfs/dbraw/zinc/27/25/37/1066272537.db2.gz SRLWTFOYRMUIKT-UHFFFAOYSA-N 0 0 315.438 4.212 20 10 DICDRN COc1ccc(CN2CCCCc3cc(OC)ccc32)c(C)c1 ZINC001308797512 1066273009 /nfs/dbraw/zinc/27/30/09/1066273009.db2.gz QWBCEIRACCDHAR-UHFFFAOYSA-N 0 0 311.425 4.355 20 10 DICDRN COc1ccc2c(c1)CCCCN2Cc1cc(C)c(O)c(C)c1 ZINC001308796274 1066273164 /nfs/dbraw/zinc/27/31/64/1066273164.db2.gz DTYUAIROXTVMJL-UHFFFAOYSA-N 0 0 311.425 4.361 20 10 DICDRN CC(C)C1(c2ccccc2)C[NH+](Cc2cccc(Cl)c2[O-])C1 ZINC001308825634 1066302343 /nfs/dbraw/zinc/30/23/43/1066302343.db2.gz OSRBZPWMWNTMIJ-UHFFFAOYSA-N 0 0 315.844 4.455 20 10 DICDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1ncccc1F ZINC001308828791 1066303589 /nfs/dbraw/zinc/30/35/89/1066303589.db2.gz XSHAIZWCNHYNGB-HNNXBMFYSA-N 0 0 314.404 4.064 20 10 DICDRN C[C@@]1(c2cccc(F)c2)CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001308849264 1066326000 /nfs/dbraw/zinc/32/60/00/1066326000.db2.gz BPJGNGAAEFTSHB-GOSISDBHSA-N 0 0 319.807 4.348 20 10 DICDRN COc1cc(C)c(CNc2ccc(C3CC3)cc2F)c(O)c1 ZINC001308910391 1066387194 /nfs/dbraw/zinc/38/71/94/1066387194.db2.gz FGIHPBBYIULJNY-UHFFFAOYSA-N 0 0 301.361 4.338 20 10 DICDRN COCc1cc(NCc2cc(C(C)C)ccc2O)ccc1OC ZINC001308909452 1066388235 /nfs/dbraw/zinc/38/82/35/1066388235.db2.gz GORMGCVTPNAYAU-UHFFFAOYSA-N 0 0 315.413 4.283 20 10 DICDRN C[C@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2F)c2ccsc2S1 ZINC001308948905 1066412667 /nfs/dbraw/zinc/41/26/67/1066412667.db2.gz SFGKFLLFZBIGEP-TVQRCGJNSA-N 0 0 309.431 4.308 20 10 DICDRN Cc1cc(C)c(NC(=O)N2Cc3cccc(O)c3C2)c(Cl)c1 ZINC001310043162 1066478114 /nfs/dbraw/zinc/47/81/14/1066478114.db2.gz AICZFABAYHUYMP-UHFFFAOYSA-N 0 0 316.788 4.210 20 10 DICDRN CC[C@@H](C)c1cccc(NC(=O)NCc2c(O)cccc2F)c1 ZINC001311020780 1066587794 /nfs/dbraw/zinc/58/77/94/1066587794.db2.gz YUBXEEIIDPAZEG-GFCCVEGCSA-N 0 0 316.376 4.367 20 10 DICDRN CCCCCC[C@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001311413444 1066638456 /nfs/dbraw/zinc/63/84/56/1066638456.db2.gz SWWWRXOVIRKKNI-HOTGVXAUSA-N 0 0 319.493 4.472 20 10 DICDRN CCC[C@@H](NC(=O)NCc1cc(C)ccc1O)c1ccccc1 ZINC001311602470 1066666588 /nfs/dbraw/zinc/66/65/88/1066666588.db2.gz BKXFFKSNKHMOJO-QGZVFWFLSA-N 0 0 312.413 4.041 20 10 DICDRN C[C@@H](NC(=O)N[C@@H](C)CCC(C)(C)C)c1ccc(N(C)C)cc1 ZINC001312032429 1066728627 /nfs/dbraw/zinc/72/86/27/1066728627.db2.gz GCFZTYZNJTUAAG-LSDHHAIUSA-N 0 0 319.493 4.328 20 10 DICDRN Cc1ccc(C)c(NC2=NC(=O)C(=Cc3cccc(O)c3)S2)c1 ZINC000039870249 183022495 /nfs/dbraw/zinc/02/24/95/183022495.db2.gz JNZDSKDJKLCDHM-YBEGLDIGSA-N 0 0 324.405 4.091 20 10 DICDRN C[C@H]([NH2+]Cc1ccccc1Br)c1ccc(F)cc1[O-] ZINC000062748144 184252174 /nfs/dbraw/zinc/25/21/74/184252174.db2.gz AZAZZQTUPAZATQ-JTQLQIEISA-N 0 0 324.193 4.145 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)c1csc(C(C)C)n1 ZINC000066096868 184388599 /nfs/dbraw/zinc/38/85/99/184388599.db2.gz SNUMVJYQXCXCHX-UHFFFAOYSA-N 0 0 318.442 4.025 20 10 DICDRN C[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000274299914 130224731 /nfs/dbraw/zinc/22/47/31/130224731.db2.gz QGCPGQUXQRMSKR-SNVBAGLBSA-N 0 0 322.311 4.089 20 10 DICDRN CC[C@@H](N[C@@H](C)c1c(F)cncc1F)c1ccc(N(C)C)cc1 ZINC000285668900 131191558 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C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000287700891 131295870 /nfs/dbraw/zinc/29/58/70/131295870.db2.gz XDXTUCVUWFOFQY-VWYCJHECSA-N 0 0 318.244 4.022 20 10 DICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(C)(C)C1CC1 ZINC000289106805 131358922 /nfs/dbraw/zinc/35/89/22/131358922.db2.gz QFFQIEDDMDBSCG-UHFFFAOYSA-N 0 0 314.473 4.072 20 10 DICDRN CN(C(=O)/C=C/c1cncs1)c1c(Cl)cccc1Cl ZINC000493335333 333241642 /nfs/dbraw/zinc/24/16/42/333241642.db2.gz NLEAOHLXVFWHMQ-AATRIKPKSA-N 0 0 313.209 4.126 20 10 DICDRN CN(C(=O)/C=C\c1cncs1)c1c(Cl)cccc1Cl ZINC000493335349 333241777 /nfs/dbraw/zinc/24/17/77/333241777.db2.gz NLEAOHLXVFWHMQ-WAYWQWQTSA-N 0 0 313.209 4.126 20 10 DICDRN C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])c2ccccc2O1 ZINC000295139083 334219504 /nfs/dbraw/zinc/21/95/04/334219504.db2.gz ZHNLGZVHMCPPRT-IAQYHMDHSA-N 0 0 303.789 4.048 20 10 DICDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccn(C(C)C)c1C ZINC000352079862 336193726 /nfs/dbraw/zinc/19/37/26/336193726.db2.gz QMMMIZNSUKBKHP-UHFFFAOYSA-N 0 0 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CC[C@H]([NH2+]Cc1nccs1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287891255 535922220 /nfs/dbraw/zinc/92/22/20/535922220.db2.gz YYRXLBMNBBSKJY-NSHDSACASA-N 0 0 317.241 4.396 20 10 DICDRN CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1[O-] ZINC000285996609 535943437 /nfs/dbraw/zinc/94/34/37/535943437.db2.gz IKDGKBVYEADKFD-BZNIZROVSA-N 0 0 318.348 4.241 20 10 DICDRN CC[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cccc(Cl)c1[O-] ZINC000287295932 535946805 /nfs/dbraw/zinc/94/68/05/535946805.db2.gz CETPEYZOBPCWLY-WFASDCNBSA-N 0 0 309.837 4.188 20 10 DICDRN CC[C@H]([NH2+][C@H]1CCc2c1cccc2O)c1cccc(Cl)c1[O-] ZINC000287747133 535949249 /nfs/dbraw/zinc/94/92/49/535949249.db2.gz PZCVUSVLLFEZKV-HOTGVXAUSA-N 0 0 317.816 4.479 20 10 DICDRN COc1cc(C)c(N[C@@H](C)c2cc(C)ccc2O)cc1OC ZINC000273542947 536605555 /nfs/dbraw/zinc/60/55/55/536605555.db2.gz YSQZUCODJUGITR-ZDUSSCGKSA-N 0 0 301.386 4.199 20 10 DICDRN Cc1cccc(NCc2cccc(Br)c2O)c1C ZINC000042411728 1036119112 /nfs/dbraw/zinc/11/91/12/1036119112.db2.gz 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CC(C)C(=O)Nc1cccc(N[C@H](C)c2ccc(F)cc2O)c1 ZINC000170789335 1038202082 /nfs/dbraw/zinc/20/20/82/1038202082.db2.gz QWKCFFPYWYUEJA-GFCCVEGCSA-N 0 0 316.376 4.299 20 10 DICDRN CCC(=O)Nc1ccc(N[C@H](C)c2ccc(F)cc2O)cc1 ZINC000170789249 1038202456 /nfs/dbraw/zinc/20/24/56/1038202456.db2.gz PUNGVAYWKFMKGN-LLVKDONJSA-N 0 0 302.349 4.053 20 10 DICDRN C/C(=C/c1ccccc1Cl)C(=O)N(C)Cc1ccccc1O ZINC000255416391 1038315517 /nfs/dbraw/zinc/31/55/17/1038315517.db2.gz WIPOUXYELKEOQM-QBFSEMIESA-N 0 0 315.800 4.108 20 10 DICDRN CC(C)[C@@H](CC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000728461052 1038542283 /nfs/dbraw/zinc/54/22/83/1038542283.db2.gz YKADKPDKZBAUDU-HXUWFJFHSA-N 0 0 324.468 4.199 20 10 DICDRN CS[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000230699402 1038622527 /nfs/dbraw/zinc/62/25/27/1038622527.db2.gz LDQJPLCEYDIQKG-WDEREUQCSA-N 0 0 306.258 4.073 20 10 DICDRN COc1cc(N(C)Cc2cc(C)sc2C)cc(OC)c1OC ZINC000172896305 1038658279 /nfs/dbraw/zinc/65/82/79/1038658279.db2.gz BIXKDEFDOCQDTI-UHFFFAOYSA-N 0 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CC[C@@H]([NH2+][C@H](C)[C@@H](C)OC)c1ccc(Cl)c(Cl)c1[O-] ZINC000810258810 1041348785 /nfs/dbraw/zinc/34/87/85/1041348785.db2.gz ZQDXUKSAQQKMIZ-KBVBSXBZSA-N 0 0 306.233 4.163 20 10 DICDRN CC(C)N(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000810245171 1041356144 /nfs/dbraw/zinc/35/61/44/1041356144.db2.gz UCRQHWZRVNREMP-QWRGUYRKSA-N 0 0 319.276 4.078 20 10 DICDRN CC[C@H]([NH2+][C@H](C)[C@@H](C)OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000810256948 1041357486 /nfs/dbraw/zinc/35/74/86/1041357486.db2.gz JCYZWZQPHUDHHK-KKFJDGPESA-N 0 0 306.233 4.163 20 10 DICDRN Cc1occc1-c1noc(-c2ccc(-n3cccc3)c(F)c2)n1 ZINC000810319279 1041374395 /nfs/dbraw/zinc/37/43/95/1041374395.db2.gz CUASXDXJVYCXEU-UHFFFAOYSA-N 0 0 309.300 4.235 20 10 DICDRN Cc1cc(CN2CCCc3cc(OC(F)F)ccc32)sn1 ZINC001167717530 1041435534 /nfs/dbraw/zinc/43/55/34/1041435534.db2.gz WKMGEYHZIMBNDX-UHFFFAOYSA-N 0 0 310.369 4.006 20 10 DICDRN Cc1nsc(C)c1CN1CCCc2cc(OC(F)F)ccc21 ZINC001167717399 1041435610 /nfs/dbraw/zinc/43/56/10/1041435610.db2.gz PYZCUQJIOWEKIR-UHFFFAOYSA-N 0 0 324.396 4.314 20 10 DICDRN Cc1ccc2c(c1)/C(=C/c1cnc(C3CCC3)s1)C(=O)N2C ZINC000811701472 1041561457 /nfs/dbraw/zinc/56/14/57/1041561457.db2.gz XPCPTZFGUPXWHD-DHDCSXOGSA-N 0 0 310.422 4.236 20 10 DICDRN CC(C)(C)C1=N/C(=C\c2ccc(N3CCCCC3)cc2)C(=O)O1 ZINC000014177532 1041566542 /nfs/dbraw/zinc/56/65/42/1041566542.db2.gz RATSCTJVZYHELN-SSZFMOIBSA-N 0 0 312.413 4.019 20 10 DICDRN CC(C)([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1nccs1 ZINC000116380382 1041577720 /nfs/dbraw/zinc/57/77/20/1041577720.db2.gz MJTDFLIMZYOQMJ-UHFFFAOYSA-N 0 0 317.241 4.180 20 10 DICDRN CCCC[C@H](C)N(C)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000811960014 1041586903 /nfs/dbraw/zinc/58/69/03/1041586903.db2.gz MBGGOWGXIVBEQU-AWEZNQCLSA-N 0 0 313.445 4.140 20 10 DICDRN C[C@H](c1ccccn1)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000183678504 1041587018 /nfs/dbraw/zinc/58/70/18/1041587018.db2.gz LYWYNVJCUZJTIH-SNVBAGLBSA-N 0 0 311.212 4.287 20 10 DICDRN CCCC[C@H](C)N(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000812005575 1041590349 /nfs/dbraw/zinc/59/03/49/1041590349.db2.gz IZKRHPIUSWTGIT-INIZCTEOSA-N 0 0 317.477 4.007 20 10 DICDRN CCCC[C@H](C)N(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000812199773 1041599057 /nfs/dbraw/zinc/59/90/57/1041599057.db2.gz GKYUWMSNRMOFRA-GJZGRUSLSA-N 0 0 305.466 4.034 20 10 DICDRN Cc1ccccc1C[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756480259 1041601845 /nfs/dbraw/zinc/60/18/45/1041601845.db2.gz UKMHHFBBKXPFSB-OLZOCXBDSA-N 0 0 305.368 4.261 20 10 DICDRN C[C@@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)c1ccc2ccccc2c1O ZINC000185772804 1041621839 /nfs/dbraw/zinc/62/18/39/1041621839.db2.gz IDDHLXYSBYOVMV-CODKJTEISA-N 0 0 311.425 4.154 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)CCCC2CC2)cc1 ZINC000812453739 1041622550 /nfs/dbraw/zinc/62/25/50/1041622550.db2.gz SKMSPZPZHAXCNZ-UHFFFAOYSA-N 0 0 302.462 4.072 20 10 DICDRN Cc1ccc(-c2nnc(NCc3cc(C)c(C)cc3O)o2)s1 ZINC000185905600 1041622672 /nfs/dbraw/zinc/62/26/72/1041622672.db2.gz ONYZGPKKUQPDFZ-UHFFFAOYSA-N 0 0 315.398 4.041 20 10 DICDRN CCCc1nsc(NCc2ccc(N3CCCCC3)cc2)n1 ZINC000812456833 1041623423 /nfs/dbraw/zinc/62/34/23/1041623423.db2.gz UPRQGCLKZXIMNO-UHFFFAOYSA-N 0 0 316.474 4.093 20 10 DICDRN CC1CCN(c2ccc(CNC(=O)CCCC3CC3)cc2)CC1 ZINC000812503775 1041627061 /nfs/dbraw/zinc/62/70/61/1041627061.db2.gz BBGGJLIHDIIECR-UHFFFAOYSA-N 0 0 314.473 4.119 20 10 DICDRN Cc1nn(-c2ccccc2)cc1N[C@H](C)c1ccc(F)cc1O ZINC000186516533 1041632231 /nfs/dbraw/zinc/63/22/31/1041632231.db2.gz LZMHNLCJNXNPGN-GFCCVEGCSA-N 0 0 311.360 4.199 20 10 DICDRN CO[C@@](C)(C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-])C1CC1 ZINC000812735105 1041642391 /nfs/dbraw/zinc/64/23/91/1041642391.db2.gz XIAMOBAVCGRLKU-PSLIRLAXSA-N 0 0 318.244 4.165 20 10 DICDRN c1cc(NCc2ccc(N3CCOCC3)cc2)cc(C2CCC2)c1 ZINC000812775124 1041645873 /nfs/dbraw/zinc/64/58/73/1041645873.db2.gz GQMUBXYTUXIXRO-UHFFFAOYSA-N 0 0 322.452 4.403 20 10 DICDRN Cc1ncn(-c2ccc(NCc3ccc(N(C)C)cc3)cc2)c1C ZINC000812785529 1041647269 /nfs/dbraw/zinc/64/72/69/1041647269.db2.gz VFKHJCHCGCXTBL-UHFFFAOYSA-N 0 0 320.440 4.167 20 10 DICDRN COc1ccc(N2CCC(Nc3cccc(C)c3F)CC2)cc1 ZINC000812842794 1041655683 /nfs/dbraw/zinc/65/56/83/1041655683.db2.gz TUYRUACWDSKMHC-UHFFFAOYSA-N 0 0 314.404 4.224 20 10 DICDRN CC(=O)Nc1cccc(CN(C)c2ccc(OC(C)C)cc2)c1 ZINC000191596526 1041731692 /nfs/dbraw/zinc/73/16/92/1041731692.db2.gz LGLRISQJOWTRHU-UHFFFAOYSA-N 0 0 312.413 4.069 20 10 DICDRN CC(C)c1cccc(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000120517813 1041747339 /nfs/dbraw/zinc/74/73/39/1041747339.db2.gz AJJYLWFTNOZVBY-UHFFFAOYSA-N 0 0 310.441 4.259 20 10 DICDRN CN(C)c1ccc(CN[C@H](c2ccccc2)c2ccccn2)cc1 ZINC000025363349 1041748738 /nfs/dbraw/zinc/74/87/38/1041748738.db2.gz WJJCEIMCRCXHAA-OAQYLSRUSA-N 0 0 317.436 4.027 20 10 DICDRN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)C1CCOCC1 ZINC000024635642 1041752958 /nfs/dbraw/zinc/75/29/58/1041752958.db2.gz VFQRGAFZIGPFIV-QZQOTICOSA-N 0 0 309.369 4.467 20 10 DICDRN CC1(C)CN(Cc2c(O)cccc2Cl)[C@@H]1c1cccnc1 ZINC000814171498 1041778949 /nfs/dbraw/zinc/77/89/49/1041778949.db2.gz QZBGPEOCGZDWLK-MRXNPFEDSA-N 0 0 302.805 4.024 20 10 DICDRN Cc1cc(Br)c([O-])c(C[NH+](C2CCC2)C2CCC2)c1 ZINC000814177589 1041780000 /nfs/dbraw/zinc/78/00/00/1041780000.db2.gz HURXGLBONRJCLH-UHFFFAOYSA-N 0 0 324.262 4.370 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000814169434 1041782628 /nfs/dbraw/zinc/78/26/28/1041782628.db2.gz HRWYNYWELFZGLX-SNVBAGLBSA-N 0 0 321.770 4.490 20 10 DICDRN O=C1/C(=C/c2ccc3occc3c2)SC(=S)N1C1CCC1 ZINC000814185719 1041787867 /nfs/dbraw/zinc/78/78/67/1041787867.db2.gz OASLLIMCEDAOAT-ZROIWOOFSA-N 0 0 315.419 4.187 20 10 DICDRN O=C1/C(=C/c2cc(Cl)cs2)SC(=S)N1C1CCC1 ZINC000814185205 1041788501 /nfs/dbraw/zinc/78/85/01/1041788501.db2.gz BNMYLKYBJQZSOL-YHYXMXQVSA-N 0 0 315.872 4.155 20 10 DICDRN CC(C)(C)c1cnc(SCc2nnc(C(C)(C)C)[nH]2)s1 ZINC000814248407 1041800510 /nfs/dbraw/zinc/80/05/10/1041800510.db2.gz SPSBUGSUTXMXGW-UHFFFAOYSA-N 0 0 310.492 4.149 20 10 DICDRN C[C@@H](NC(=O)c1cc(F)ccc1Cl)c1ccc(N(C)C)cc1 ZINC000814320021 1041806073 /nfs/dbraw/zinc/80/60/73/1041806073.db2.gz GEUMRYWKMCUFHC-LLVKDONJSA-N 0 0 320.795 4.036 20 10 DICDRN Cc1ccc(C[NH2+]Cc2cccc(Br)c2[O-])cc1C ZINC000775143777 1041807437 /nfs/dbraw/zinc/80/74/37/1041807437.db2.gz BTIQPUWGWSLOKM-UHFFFAOYSA-N 0 0 320.230 4.061 20 10 DICDRN CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756625414 1041808014 /nfs/dbraw/zinc/80/80/14/1041808014.db2.gz KOGVTFJERGVCHY-HBNTYKKESA-N 0 0 320.260 4.147 20 10 DICDRN CO[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])C(C)C ZINC000756624958 1041809234 /nfs/dbraw/zinc/80/92/34/1041809234.db2.gz IAEIKPAETFQQJN-CABZTGNLSA-N 0 0 306.233 4.021 20 10 DICDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)NC1(CCO)CC1 ZINC000814484144 1041824663 /nfs/dbraw/zinc/82/46/63/1041824663.db2.gz CWWVROBEIFUZOH-UHFFFAOYSA-N 0 0 324.384 4.139 20 10 DICDRN Cc1cc(C(=O)N(C)C2CCCC2)c(C)n1-c1ccccc1C ZINC000217132771 1041851784 /nfs/dbraw/zinc/85/17/84/1041851784.db2.gz PYTREDKLEJAVPZ-UHFFFAOYSA-N 0 0 310.441 4.417 20 10 DICDRN C[C@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)c1cccc(F)c1 ZINC001649144322 1041864986 /nfs/dbraw/zinc/86/49/86/1041864986.db2.gz DRPCCRQNEWKHLX-SNVBAGLBSA-N 0 0 311.759 4.217 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)CC(C)(C)C2CC2)cc1 ZINC000814824827 1041871504 /nfs/dbraw/zinc/87/15/04/1041871504.db2.gz MAJYNCAPCSWYGT-UHFFFAOYSA-N 0 0 316.489 4.318 20 10 DICDRN C[C@H](C[NH2+][C@H](C)c1cc(Cl)ccc1O)Oc1ccccc1 ZINC000756704127 1041908814 /nfs/dbraw/zinc/90/88/14/1041908814.db2.gz FQACZZDNLOOFSU-CHWSQXEVSA-N 0 0 305.805 4.164 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC(C)(C)C1CC1 ZINC000815070764 1041911089 /nfs/dbraw/zinc/91/10/89/1041911089.db2.gz CCFXIMHSCZAPPY-UHFFFAOYSA-N 0 0 316.489 4.316 20 10 DICDRN CN(C)c1ccc(CNc2ccc([C@@H]3CCOC3)cc2)cc1F ZINC000815153995 1041921140 /nfs/dbraw/zinc/92/11/40/1041921140.db2.gz LANFTMBPLCGDKM-MRXNPFEDSA-N 0 0 314.404 4.008 20 10 DICDRN CC[C@H](CC(=O)NCc1ccc(N(C)C)cc1C)C(C)(C)C ZINC001126081483 1041931007 /nfs/dbraw/zinc/93/10/07/1041931007.db2.gz BGEFTVCOINYLOD-MRXNPFEDSA-N 0 0 304.478 4.140 20 10 DICDRN Cc1nc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])cs1 ZINC000815562079 1041964110 /nfs/dbraw/zinc/96/41/10/1041964110.db2.gz WKTMWCOCVZOWMO-QMMMGPOBSA-N 0 0 316.348 4.027 20 10 DICDRN C[C@H]([NH2+]CCNc1ccccc1)c1cccc(C(F)(F)F)c1[O-] ZINC000815586316 1041968494 /nfs/dbraw/zinc/96/84/94/1041968494.db2.gz FRKAANBVWAFGCC-LBPRGKRZSA-N 0 0 324.346 4.174 20 10 DICDRN CC(C)CCOCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815571107 1041971623 /nfs/dbraw/zinc/97/16/23/1041971623.db2.gz VAVRKJLXTBGQPL-LBPRGKRZSA-N 0 0 319.367 4.124 20 10 DICDRN Cc1cc(C)c([C@H](C)[NH2+]Cc2nc(C)c3ccccc3n2)c(O)c1 ZINC000815573721 1041972597 /nfs/dbraw/zinc/97/25/97/1041972597.db2.gz RJWAPGNPABHGCT-HNNXBMFYSA-N 0 0 321.424 4.111 20 10 DICDRN C[C@H]([NH2+]C[C@H]1CCCCS1)c1cccc(C(F)(F)F)c1[O-] ZINC000815614953 1041973712 /nfs/dbraw/zinc/97/37/12/1041973712.db2.gz DWYGGJJTRKJTRR-WDEREUQCSA-N 0 0 319.392 4.347 20 10 DICDRN CO[C@@H]1Cc2ccc(N[C@@H](C)c3c(C)cc(C)cc3O)cc2C1 ZINC000815616538 1041974837 /nfs/dbraw/zinc/97/48/37/1041974837.db2.gz QNPIUOUGUCXBPV-KBXCAEBGSA-N 0 0 311.425 4.296 20 10 DICDRN C[C@@H]([NH2+]CCC1(F)CCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815627302 1041977239 /nfs/dbraw/zinc/97/72/39/1041977239.db2.gz YGWDOLGCDRIUAB-SNVBAGLBSA-N 0 0 305.315 4.344 20 10 DICDRN COc1cc(N[C@@H](C)c2cc(F)ccc2O)cc(OC)c1C ZINC000815631139 1041978468 /nfs/dbraw/zinc/97/84/68/1041978468.db2.gz OZBODWMXMXQACG-NSHDSACASA-N 0 0 305.349 4.030 20 10 DICDRN C[C@@H]([NH2+]CC1CC(F)(F)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815628109 1041978561 /nfs/dbraw/zinc/97/85/61/1041978561.db2.gz RMGOUXPSSFUGFU-MRVPVSSYSA-N 0 0 309.278 4.107 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCC(F)(F)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815607904 1041981239 /nfs/dbraw/zinc/98/12/39/1041981239.db2.gz LKGSZPDCSSGBBL-DTWKUNHWSA-N 0 0 309.278 4.249 20 10 DICDRN CC(C)C1([NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])CC1 ZINC000815647165 1041984507 /nfs/dbraw/zinc/98/45/07/1041984507.db2.gz BALTWOSQHJLXPN-VIFPVBQESA-N 0 0 316.214 4.133 20 10 DICDRN CC[C@H]([NH2+]Cc1c(F)cc(F)cc1F)c1ccc(F)cc1[O-] ZINC000815650497 1041985704 /nfs/dbraw/zinc/98/57/04/1041985704.db2.gz SMFPBGBUTCZTEE-HNNXBMFYSA-N 0 0 313.294 4.190 20 10 DICDRN CC[C@@H]([NH2+][C@H](CC)C(C)(C)O)c1ccc(Cl)c(Cl)c1[O-] ZINC000815651899 1041985884 /nfs/dbraw/zinc/98/58/84/1041985884.db2.gz HXYWLDXIMHSVRU-VXGBXAGGSA-N 0 0 320.260 4.289 20 10 DICDRN CC[C@@H]([NH2+][C@@H](CC)C(C)(C)O)c1ccc(Cl)c(Cl)c1[O-] ZINC000815651896 1041985908 /nfs/dbraw/zinc/98/59/08/1041985908.db2.gz HXYWLDXIMHSVRU-NEPJUHHUSA-N 0 0 320.260 4.289 20 10 DICDRN CC[C@H]([NH2+]C[C@@H](OC)C1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000815651125 1041986021 /nfs/dbraw/zinc/98/60/21/1041986021.db2.gz KRJDJPZWWBPUNO-UONOGXRCSA-N 0 0 318.244 4.165 20 10 DICDRN C[C@H](Nc1ccc([C@H]2CCOC2)cc1)c1cc(F)cc(F)c1O ZINC000815653439 1041986793 /nfs/dbraw/zinc/98/67/93/1041986793.db2.gz MEWIVIITLPFENW-AAEUAGOBSA-N 0 0 319.351 4.347 20 10 DICDRN COc1ccc(N(Cc2nnc(C(C)C)s2)C(C)C)cc1F ZINC000828268627 1041995379 /nfs/dbraw/zinc/99/53/79/1041995379.db2.gz ZLICUGHYFQNMIG-UHFFFAOYSA-N 0 0 323.437 4.224 20 10 DICDRN C/C(Cl)=C/C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC001625904816 1042015722 /nfs/dbraw/zinc/01/57/22/1042015722.db2.gz BKAHPYNNPWDYFC-OWBHPGMISA-N 0 0 320.864 4.214 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCCC[C@H]1C ZINC001135513101 1042042359 /nfs/dbraw/zinc/04/23/59/1042042359.db2.gz RVQBTYHCSOOIKE-DOMZBBRYSA-N 0 0 316.470 4.464 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(Cl)s1 ZINC000816530981 1042061420 /nfs/dbraw/zinc/06/14/20/1042061420.db2.gz BWKVZWGMIHPYHE-UHFFFAOYSA-N 0 0 306.189 4.189 20 10 DICDRN COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816530291 1042061833 /nfs/dbraw/zinc/06/18/33/1042061833.db2.gz CEOSUATWHYQLGE-LLVKDONJSA-N 0 0 323.795 4.353 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCCOC1CCCCC1 ZINC000816530273 1042061860 /nfs/dbraw/zinc/06/18/60/1042061860.db2.gz BQKBGJYISAGCBO-UHFFFAOYSA-N 0 0 315.816 4.014 20 10 DICDRN C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])o1 ZINC000816536253 1042062715 /nfs/dbraw/zinc/06/27/15/1042062715.db2.gz PXLPGWPYVNZPAT-CABZTGNLSA-N 0 0 309.768 4.191 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000816552409 1042063341 /nfs/dbraw/zinc/06/33/41/1042063341.db2.gz LLKADVDEWKVPOH-UHFFFAOYSA-N 0 0 309.743 4.103 20 10 DICDRN CCOc1cccc([C@@H](C)[NH2+]Cc2cc(Cl)c(F)cc2[O-])c1 ZINC000816544300 1042063669 /nfs/dbraw/zinc/06/36/69/1042063669.db2.gz CYUSKORJXLRTJL-LLVKDONJSA-N 0 0 323.795 4.434 20 10 DICDRN Oc1c(CNc2ccc(-n3ccnc3)cc2)ccc2ccccc21 ZINC000816522471 1042064381 /nfs/dbraw/zinc/06/43/81/1042064381.db2.gz ASPHROVBIKKNLQ-UHFFFAOYSA-N 0 0 315.376 4.343 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1CC(c2ccccc2)C1 ZINC000816548575 1042065087 /nfs/dbraw/zinc/06/50/87/1042065087.db2.gz LVNBWDFDPKQGKU-UHFFFAOYSA-N 0 0 305.780 4.221 20 10 DICDRN Oc1cc(F)c(Cl)cc1CNc1cccc(OCCF)c1 ZINC000816527341 1042065741 /nfs/dbraw/zinc/06/57/41/1042065741.db2.gz GCCXRDZLEFVCNF-UHFFFAOYSA-N 0 0 313.731 4.145 20 10 DICDRN COc1cc(NCc2cc(Cl)c(F)cc2O)ccc1Cl ZINC000816593892 1042066419 /nfs/dbraw/zinc/06/64/19/1042066419.db2.gz ICJDBHJOLHBSEZ-UHFFFAOYSA-N 0 0 316.159 4.459 20 10 DICDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1cccc(F)c1F ZINC000816559116 1042067401 /nfs/dbraw/zinc/06/74/01/1042067401.db2.gz YDGQPLFXUCKDSA-MRVPVSSYSA-N 0 0 315.722 4.314 20 10 DICDRN CSCc1cnc(CN(C)c2ccc(OC(C)C)cc2)s1 ZINC000816591355 1042067833 /nfs/dbraw/zinc/06/78/33/1042067833.db2.gz CDYTUNXRBVVRJH-UHFFFAOYSA-N 0 0 322.499 4.430 20 10 DICDRN CCn1ncc2ccc(NCc3cc(Cl)c(F)cc3O)cc21 ZINC000816564218 1042068695 /nfs/dbraw/zinc/06/86/95/1042068695.db2.gz YALGWRLVARBOSH-UHFFFAOYSA-N 0 0 319.767 4.166 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCCc2sccc21 ZINC000816571339 1042070055 /nfs/dbraw/zinc/07/00/55/1042070055.db2.gz ZZWONXFMLPGDFT-CYBMUJFWSA-N 0 0 311.809 4.413 20 10 DICDRN COc1ccc(N(C)Cc2ccc3ccccc3c2O)cc1OC ZINC000816569665 1042070163 /nfs/dbraw/zinc/07/01/63/1042070163.db2.gz SUPWLEFUZOBXGJ-UHFFFAOYSA-N 0 0 323.392 4.199 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(Cl)cc1F ZINC000816575006 1042070755 /nfs/dbraw/zinc/07/07/55/1042070755.db2.gz YZMUWKNDCZURKR-UHFFFAOYSA-N 0 0 318.150 4.267 20 10 DICDRN CCCCN(Cc1ccccc1O)Cc1c(F)ccc(O)c1F ZINC000816601185 1042071673 /nfs/dbraw/zinc/07/16/73/1042071673.db2.gz UOJHYURADWRGHB-UHFFFAOYSA-N 0 0 321.367 4.178 20 10 DICDRN CC1(C)CN(Cc2cc(Cl)ccc2O)[C@H]1c1ccncc1 ZINC000816622085 1042074606 /nfs/dbraw/zinc/07/46/06/1042074606.db2.gz WXWRSHCHMGURAQ-INIZCTEOSA-N 0 0 302.805 4.024 20 10 DICDRN CC1(C)CN(Cc2c(O)cccc2Cl)[C@H]1c1ccncc1 ZINC000816620838 1042075243 /nfs/dbraw/zinc/07/52/43/1042075243.db2.gz NQECWCIBRHAOGA-INIZCTEOSA-N 0 0 302.805 4.024 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000816649838 1042076852 /nfs/dbraw/zinc/07/68/52/1042076852.db2.gz MCUSFUPGNVUNKQ-WFASDCNBSA-N 0 0 305.780 4.078 20 10 DICDRN O=C(Nc1ccccc1Cl)c1cc2cc(O)c(O)cc2s1 ZINC001135678238 1042079482 /nfs/dbraw/zinc/07/94/82/1042079482.db2.gz APLPAWYRIVNSNI-UHFFFAOYSA-N 0 0 319.769 4.218 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccc(C)cc2C)cc1 ZINC001135732879 1042086814 /nfs/dbraw/zinc/08/68/14/1042086814.db2.gz JPRCXDRTYDJWQM-UHFFFAOYSA-N 0 0 324.468 4.422 20 10 DICDRN CC(C)Oc1ccc(N(C)Cc2csc(C3CC3)n2)cc1 ZINC000759934486 1042089411 /nfs/dbraw/zinc/08/94/11/1042089411.db2.gz WRUFLBMEYUJFMG-UHFFFAOYSA-N 0 0 302.443 4.444 20 10 DICDRN Cc1ccc(NC(=O)c2cc3cc(O)c(O)cc3s2)c(F)c1 ZINC001135884038 1042104132 /nfs/dbraw/zinc/10/41/32/1042104132.db2.gz ZLZJHFANFPKVGO-UHFFFAOYSA-N 0 0 317.341 4.012 20 10 DICDRN CC[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])CCO1 ZINC000817586076 1042118839 /nfs/dbraw/zinc/11/88/39/1042118839.db2.gz LNAFWUYZCWYSFF-GMTAPVOTSA-N 0 0 318.244 4.307 20 10 DICDRN Cc1ccc([C@@H](C)Nc2ccn(CCC(C)C)n2)c(O)c1C ZINC000756851888 1042127688 /nfs/dbraw/zinc/12/76/88/1042127688.db2.gz WFXXGCQQQYMUQB-OAHLLOKOSA-N 0 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1042248205 /nfs/dbraw/zinc/24/82/05/1042248205.db2.gz YWAIPQGLUAVXLQ-GOSISDBHSA-N 0 0 316.489 4.148 20 10 DICDRN CC[N@H+](Cc1ccc(Cl)cc1)Cc1c([O-])c(F)ccc1F ZINC001139685998 1042262341 /nfs/dbraw/zinc/26/23/41/1042262341.db2.gz JAMOZWMWOUVZCL-UHFFFAOYSA-N 0 0 311.759 4.346 20 10 DICDRN O=C(Nc1ccccc1OC1CCCC1)C1=CC(=O)CS1 ZINC000822588806 1042294892 /nfs/dbraw/zinc/29/48/92/1042294892.db2.gz FFZLRWMSFWRLIJ-UHFFFAOYSA-N 0 0 303.383 4.027 20 10 DICDRN COc1ccc(N(C)CCO[C@H]2CCCC[C@H]2C)cc1Cl ZINC001167881480 1042327810 /nfs/dbraw/zinc/32/78/10/1042327810.db2.gz NCQBZAKIYWFURS-CJNGLKHVSA-N 0 0 311.853 4.380 20 10 DICDRN C[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1ccccn1 ZINC000279838903 1042346506 /nfs/dbraw/zinc/34/65/06/1042346506.db2.gz HLYWZVCKMSSXPV-LBPRGKRZSA-N 0 0 323.362 4.017 20 10 DICDRN CCCc1ccc([C@@H](NC(=O)Cc2ccc(N)cc2)C(C)C)cc1 ZINC000236919591 1042411709 /nfs/dbraw/zinc/41/17/09/1042411709.db2.gz UJADDCAYAREKKQ-NRFANRHFSA-N 0 0 324.468 4.277 20 10 DICDRN CCOc1cccc(CNc2cccc3ccc(C)nc32)c1O ZINC000236936332 1042418149 /nfs/dbraw/zinc/41/81/49/1042418149.db2.gz MZWDKLZLTDGKBV-UHFFFAOYSA-N 0 0 308.381 4.260 20 10 DICDRN CCN(CC)c1ccc(CNc2cc(OC)cc(OC)c2)cc1 ZINC000236937561 1042419005 /nfs/dbraw/zinc/41/90/05/1042419005.db2.gz HCGKGVOLGCGOOO-UHFFFAOYSA-N 0 0 314.429 4.162 20 10 DICDRN CCOc1cccc(CNc2ccccc2OCC(C)C)c1O ZINC000236967869 1042438527 /nfs/dbraw/zinc/43/85/27/1042438527.db2.gz SJPKKWXDYDEJBO-UHFFFAOYSA-N 0 0 315.413 4.438 20 10 DICDRN CCOc1cccc(CNc2cccc(OCC(C)C)c2)c1O ZINC000236967576 1042439093 /nfs/dbraw/zinc/43/90/93/1042439093.db2.gz MEWJKSBTGVFUCH-UHFFFAOYSA-N 0 0 315.413 4.438 20 10 DICDRN COc1cc(C)cc(CNc2ccc3oc(C4CC4)nc3c2)c1O ZINC000894201012 1042500269 /nfs/dbraw/zinc/50/02/69/1042500269.db2.gz YVXCQYSGSWINFQ-UHFFFAOYSA-N 0 0 324.380 4.340 20 10 DICDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc3ccccc3c2)c1 ZINC000728983519 1042500549 /nfs/dbraw/zinc/50/05/49/1042500549.db2.gz AERGZXBSSFZCDK-ZDUSSCGKSA-N 0 0 321.376 4.045 20 10 DICDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@H](C)C2CCCCC2)c1 ZINC000728978776 1042501076 /nfs/dbraw/zinc/50/10/76/1042501076.db2.gz NIANHRGOCIKTSD-KBPBESRZSA-N 0 0 319.445 4.185 20 10 DICDRN O=C1/C(=C/c2cc3ccccc3s2)SC(=S)N1C1CC1 ZINC000758415255 1042502544 /nfs/dbraw/zinc/50/25/44/1042502544.db2.gz HFNWGMOTBWMECY-JYRVWZFOSA-N 0 0 317.460 4.265 20 10 DICDRN Nc1ccc(Cc2ccc(Nc3cc(N)ccc3F)cc2)cc1 ZINC001211837609 1042522073 /nfs/dbraw/zinc/52/20/73/1042522073.db2.gz RUUPRBWYNRRMLH-UHFFFAOYSA-N 0 0 307.372 4.325 20 10 DICDRN CCN(C(=O)/C=C\c1cncc(F)c1)c1cccc2ccccc21 ZINC000729347313 1042522506 /nfs/dbraw/zinc/52/25/06/1042522506.db2.gz BFETUGZSHUNCJY-KHPPLWFESA-N 0 0 320.367 4.440 20 10 DICDRN COC(=O)c1cccc(NCc2ccc(N3CCCCC3)cc2)c1 ZINC000237123665 1042548888 /nfs/dbraw/zinc/54/88/88/1042548888.db2.gz KJOTVNFKJHUUDE-UHFFFAOYSA-N 0 0 324.424 4.076 20 10 DICDRN O=C(c1ccc(NCc2ccccc2O)cc1)N1CCCCCC1 ZINC000280694171 1042578562 /nfs/dbraw/zinc/57/85/62/1042578562.db2.gz OXCGXZWTHRGDBC-UHFFFAOYSA-N 0 0 324.424 4.021 20 10 DICDRN COc1cc(C)c(N[C@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000319709608 1042681286 /nfs/dbraw/zinc/68/12/86/1042681286.db2.gz NWXOBISXIIBRKU-CQSZACIVSA-N 0 0 314.429 4.251 20 10 DICDRN CCC[C@@H]1CCC[C@@H]1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001269587106 1042724631 /nfs/dbraw/zinc/72/46/31/1042724631.db2.gz BRDAINBNCAHIMT-KYJSFNMBSA-N 0 0 302.462 4.146 20 10 DICDRN CC1=CC[C@](C)(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC001269588982 1042724696 /nfs/dbraw/zinc/72/46/96/1042724696.db2.gz VVLLWXHDHGMREU-KXBFYZLASA-N 0 0 300.446 4.066 20 10 DICDRN CCC[C@@H](CC(C)C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001269587499 1042724869 /nfs/dbraw/zinc/72/48/69/1042724869.db2.gz ICCNYKSLEAUPLE-WBVHZDCISA-N 0 0 304.478 4.392 20 10 DICDRN CN1C(=O)/C(=C/c2cc(-c3ccccc3)cs2)SC1=S ZINC000048642739 1042929890 /nfs/dbraw/zinc/92/98/90/1042929890.db2.gz FVQJHTWRVAYXQU-JYRVWZFOSA-N 0 0 317.460 4.246 20 10 DICDRN COc1cccc(NNC(=S)Nc2ccc(C(C)C)cc2)c1 ZINC000018167679 1042949510 /nfs/dbraw/zinc/94/95/10/1042949510.db2.gz NPCMZRSKIVGPBS-UHFFFAOYSA-N 0 0 315.442 4.132 20 10 DICDRN O=[N+]([O-])c1ccc(NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000319977972 1042980281 /nfs/dbraw/zinc/98/02/81/1042980281.db2.gz FHOWKVNJISSRAN-UHFFFAOYSA-N 0 0 311.385 4.197 20 10 DICDRN CCc1oc2ccccc2c1/C=C1/SC(=S)N(CC)C1=O ZINC000018889773 1043023019 /nfs/dbraw/zinc/02/30/19/1043023019.db2.gz PDVGQQAXCABSFM-NTEUORMPSA-N 0 0 317.435 4.216 20 10 DICDRN CC[C@@H](Nc1cncc(Br)c1)c1ccc(C)cc1O ZINC000794812512 1043061273 /nfs/dbraw/zinc/06/12/73/1043061273.db2.gz LNUMZYPFDMLSTE-CQSZACIVSA-N 0 0 321.218 4.421 20 10 DICDRN CC[C@@H](Nc1cccc(OCCOC)c1)c1ccc(C)cc1O ZINC000794818567 1043062248 /nfs/dbraw/zinc/06/22/48/1043062248.db2.gz UZGADYYYCJPHIA-GOSISDBHSA-N 0 0 315.413 4.289 20 10 DICDRN CC[C@@H](Nc1cc(F)c(OC)cc1OC)c1ccc(C)cc1O ZINC000794816856 1043062527 /nfs/dbraw/zinc/06/25/27/1043062527.db2.gz KWTOJRPJAUTGNF-CQSZACIVSA-N 0 0 319.376 4.420 20 10 DICDRN C[C@H]([NH2+]CCC1(C)CC1)c1cc(Br)cc(F)c1[O-] ZINC000794829717 1043067905 /nfs/dbraw/zinc/06/79/05/1043067905.db2.gz WJGWJPRSCUBXHZ-VIFPVBQESA-N 0 0 316.214 4.135 20 10 DICDRN C[C@@H]([NH2+]CCC1(C)CC1)c1cc(Br)cc(F)c1[O-] ZINC000794829715 1043067974 /nfs/dbraw/zinc/06/79/74/1043067974.db2.gz WJGWJPRSCUBXHZ-SECBINFHSA-N 0 0 316.214 4.135 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)c1ccc(F)cc1[O-] ZINC000794836644 1043080832 /nfs/dbraw/zinc/08/08/32/1043080832.db2.gz VDYFBIKCWUNOFR-PIGZYNQJSA-N 0 0 303.352 4.399 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)c1ccc(F)cc1[O-] ZINC000794836641 1043081999 /nfs/dbraw/zinc/08/19/99/1043081999.db2.gz VDYFBIKCWUNOFR-APPDUMDISA-N 0 0 303.352 4.399 20 10 DICDRN CCCCn1ncc(N[C@@H](C)c2ccc(N(C)C)cc2)c1C ZINC000777304297 1043093308 /nfs/dbraw/zinc/09/33/08/1043093308.db2.gz NYUBKIBXLDDLKW-AWEZNQCLSA-N 0 0 300.450 4.231 20 10 DICDRN C[C@@H](Nc1cccc2c1CCO2)c1cc2c(cc1O)CCCC2 ZINC000794836844 1043097650 /nfs/dbraw/zinc/09/76/50/1043097650.db2.gz PYQRDRDGIOVOFS-CYBMUJFWSA-N 0 0 309.409 4.379 20 10 DICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1CC(C)(C)C1 ZINC000794852125 1043115756 /nfs/dbraw/zinc/11/57/56/1043115756.db2.gz LQFOWMZGTOULGX-UHFFFAOYSA-N 0 0 314.473 4.072 20 10 DICDRN Cc1ncsc1C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000179427737 1043144545 /nfs/dbraw/zinc/14/45/45/1043144545.db2.gz OILHQIUJMPSFRN-UHFFFAOYSA-N 0 0 317.241 4.096 20 10 DICDRN Cc1ccc(NC(=O)C(C)C)cc1N[C@H](C)c1ccccc1O ZINC000183646465 1043168088 /nfs/dbraw/zinc/16/80/88/1043168088.db2.gz KWFBIENKPSFEDR-CQSZACIVSA-N 0 0 312.413 4.468 20 10 DICDRN C[C@@H](c1ccncc1)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000183713963 1043171411 /nfs/dbraw/zinc/17/14/11/1043171411.db2.gz JPPOOLHSUYECDX-JTQLQIEISA-N 0 0 311.212 4.287 20 10 DICDRN C[C@@H]([NH2+]Cc1nccs1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185087985 1043194027 /nfs/dbraw/zinc/19/40/27/1043194027.db2.gz UOUPHRQGDRMNMM-SSDOTTSWSA-N 0 0 303.214 4.006 20 10 DICDRN COc1ccc(Cl)cc1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185205851 1043196764 /nfs/dbraw/zinc/19/67/64/1043196764.db2.gz 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ZINC000186092700 1043215473 /nfs/dbraw/zinc/21/54/73/1043215473.db2.gz PMZLRRQAKVXZQE-NEPJUHHUSA-N 0 0 318.348 4.160 20 10 DICDRN COc1cc(F)c(N[C@H](C)c2cc(C)ccc2O)cc1OC ZINC000186362473 1043223421 /nfs/dbraw/zinc/22/34/21/1043223421.db2.gz DWZNAMXXSLFFLV-LLVKDONJSA-N 0 0 305.349 4.030 20 10 DICDRN COc1ccc(O)c(CNc2ccccc2OCC(C)C)c1 ZINC000237207946 1043240755 /nfs/dbraw/zinc/24/07/55/1043240755.db2.gz QYAXKMSMFUNNFZ-UHFFFAOYSA-N 0 0 301.386 4.048 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ccc(F)c(F)c1[O-] ZINC000187674809 1043247914 /nfs/dbraw/zinc/24/79/14/1043247914.db2.gz JVGBPXUNSNYPOQ-BJOHPYRUSA-N 0 0 307.315 4.148 20 10 DICDRN Cc1nc(CSc2ncc(-c3ccccc3)n2C)cs1 ZINC000007129885 1043252358 /nfs/dbraw/zinc/25/23/58/1043252358.db2.gz YPTBFWVQRWJALU-UHFFFAOYSA-N 0 0 301.440 4.144 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])C1CCOCC1 ZINC000192963095 1043278049 /nfs/dbraw/zinc/27/80/49/1043278049.db2.gz XSSMHZAJXWNVAC-ZJUUUORDSA-N 0 0 318.244 4.165 20 10 DICDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCC[C@H]2C)c1 ZINC001126523082 1043283644 /nfs/dbraw/zinc/28/36/44/1043283644.db2.gz MOUUMWXNXTZGMO-GFCCVEGCSA-N 0 0 316.832 4.372 20 10 DICDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCC[C@@H]2C)c1 ZINC001126523083 1043283655 /nfs/dbraw/zinc/28/36/55/1043283655.db2.gz MOUUMWXNXTZGMO-LBPRGKRZSA-N 0 0 316.832 4.372 20 10 DICDRN CC[C@@H](Nc1cnn(CC(C)C)c1)c1ccc(N(C)C)cc1 ZINC000777276391 1043296769 /nfs/dbraw/zinc/29/67/69/1043296769.db2.gz SRWKSWONGRDAND-GOSISDBHSA-N 0 0 300.450 4.168 20 10 DICDRN CC1(C)Cc2cc(NCc3cccc(Cl)c3O)ccc2O1 ZINC000777496250 1043299586 /nfs/dbraw/zinc/29/95/86/1043299586.db2.gz KAHGMIRKIRCZSV-UHFFFAOYSA-N 0 0 303.789 4.371 20 10 DICDRN O=C(NCc1ccccc1O)c1ccccc1NC1CCCCC1 ZINC000795061213 1043308164 /nfs/dbraw/zinc/30/81/64/1043308164.db2.gz KZQKZYBCINEALE-UHFFFAOYSA-N 0 0 324.424 4.067 20 10 DICDRN COc1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)c(F)c1 ZINC000122670024 1043320560 /nfs/dbraw/zinc/32/05/60/1043320560.db2.gz BKTHICJJRCHRQS-CQSZACIVSA-N 0 0 316.420 4.060 20 10 DICDRN Cc1csc2c1ncnc2NCCCSc1nccs1 ZINC000795095045 1043327103 /nfs/dbraw/zinc/32/71/03/1043327103.db2.gz JCFQJLCRLVJFRR-UHFFFAOYSA-N 0 0 322.484 4.051 20 10 DICDRN Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N1Cc2cccc(O)c2C1 ZINC000871203660 1043367356 /nfs/dbraw/zinc/36/73/56/1043367356.db2.gz DLGSQSMQCQOYQV-ZBFHGGJFSA-N 0 0 321.420 4.224 20 10 DICDRN Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)N1Cc2cccc(O)c2C1 ZINC000871203656 1043367366 /nfs/dbraw/zinc/36/73/66/1043367366.db2.gz DLGSQSMQCQOYQV-HOCLYGCPSA-N 0 0 321.420 4.224 20 10 DICDRN CC(C)(C)c1cnc(SCc2nccn2CC(F)F)s1 ZINC000871658634 1043385064 /nfs/dbraw/zinc/38/50/64/1043385064.db2.gz ZKOYMTWZUXZIHP-UHFFFAOYSA-N 0 0 317.430 4.195 20 10 DICDRN Cc1cccc(NC(=O)CNc2ccccc2NC(C)C)c1C ZINC000871847743 1043404601 /nfs/dbraw/zinc/40/46/01/1043404601.db2.gz WPTHHRRRRMKHEH-UHFFFAOYSA-N 0 0 311.429 4.174 20 10 DICDRN Cc1ccccc1-c1noc(CNc2ccccc2NC(C)C)n1 ZINC000871846919 1043404948 /nfs/dbraw/zinc/40/49/48/1043404948.db2.gz GIXUZFRQUSTGIP-UHFFFAOYSA-N 0 0 322.412 4.477 20 10 DICDRN CC(C)Nc1ccccc1NCc1nc(-c2cccs2)no1 ZINC000871847146 1043405279 /nfs/dbraw/zinc/40/52/79/1043405279.db2.gz LZUJRKPZLJMZKH-UHFFFAOYSA-N 0 0 314.414 4.231 20 10 DICDRN CC(C)Nc1ccccc1NCc1cncn1Cc1ccccc1 ZINC000871845881 1043405638 /nfs/dbraw/zinc/40/56/38/1043405638.db2.gz LRLDKNMVOXRQOF-UHFFFAOYSA-N 0 0 320.440 4.364 20 10 DICDRN C[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)CC1(F)F ZINC001138215728 1043409828 /nfs/dbraw/zinc/40/98/28/1043409828.db2.gz RNHJOOZCYFXPMJ-OAHLLOKOSA-N 0 0 308.416 4.154 20 10 DICDRN C[C@H](NCc1ncc(Cl)s1)c1cc(Cl)ccc1O ZINC000872116094 1043464726 /nfs/dbraw/zinc/46/47/26/1043464726.db2.gz OEXQTBBVTLOYEL-ZETCQYMHSA-N 0 0 303.214 4.006 20 10 DICDRN CC[C@H](NCc1ncc(Cl)s1)c1ccc(N(C)C)cc1 ZINC000872116729 1043465013 /nfs/dbraw/zinc/46/50/13/1043465013.db2.gz UHEGEYBHWWCSOG-ZDUSSCGKSA-N 0 0 309.866 4.103 20 10 DICDRN C[C@H](CCc1ccco1)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000019998270 1043464873 /nfs/dbraw/zinc/46/48/73/1043464873.db2.gz WNWBSVVLPRYTCP-SNVBAGLBSA-N 0 0 314.212 4.403 20 10 DICDRN CCCOc1ccc(CN[C@@H](C)c2ncc(C)s2)cc1C ZINC000873072557 1043512975 /nfs/dbraw/zinc/51/29/75/1043512975.db2.gz XMSRLTLQCCUHGL-AWEZNQCLSA-N 0 0 304.459 4.400 20 10 DICDRN CCCOc1ccc(CN[C@H](C)c2nc(C)cs2)cc1C ZINC000873037920 1043513298 /nfs/dbraw/zinc/51/32/98/1043513298.db2.gz DPUFAZHVNQLNAB-CQSZACIVSA-N 0 0 304.459 4.400 20 10 DICDRN CCCN(CCC)c1ccc(CNCC(F)(F)C(F)F)cc1 ZINC001202536493 1043515924 /nfs/dbraw/zinc/51/59/24/1043515924.db2.gz MGHOBRCXBYXZLA-UHFFFAOYSA-N 0 0 320.374 4.303 20 10 DICDRN COc1ccc(NCc2cccc(C)c2O)cc1Br ZINC000124623140 1043558528 /nfs/dbraw/zinc/55/85/28/1043558528.db2.gz NXFVXFNZPPYRJZ-UHFFFAOYSA-N 0 0 322.202 4.084 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@@]2(C)C(C)C)cc1 ZINC001275154107 1043579709 /nfs/dbraw/zinc/57/97/09/1043579709.db2.gz YYYPVGPOFXNGAV-QUCCMNQESA-N 0 0 310.441 4.259 20 10 DICDRN CCC[C@@H](CC(C)C)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000825736611 1043580666 /nfs/dbraw/zinc/58/06/66/1043580666.db2.gz DHHLIEUGZNDIPM-KGLIPLIRSA-N 0 0 307.434 4.040 20 10 DICDRN CCN(Cc1ccc(CF)cc1)c1ccc(OC)c(OC)c1 ZINC000777607269 1043634273 /nfs/dbraw/zinc/63/42/73/1043634273.db2.gz ONUWGLMSRCRPKG-UHFFFAOYSA-N 0 0 303.377 4.200 20 10 DICDRN CC[C@@H]([NH2+][C@@H]1CCCc2cccnc21)c1ccc(F)cc1[O-] ZINC000927061967 1043676972 /nfs/dbraw/zinc/67/69/72/1043676972.db2.gz VSUDHXPVBGJINM-HZPDHXFCSA-N 0 0 300.377 4.045 20 10 DICDRN CN(C)c1ccc(CN(C)C(=O)c2cscc2C(F)F)cc1 ZINC000895485279 1043695965 /nfs/dbraw/zinc/69/59/65/1043695965.db2.gz OTXHLBZBYVPBOA-UHFFFAOYSA-N 0 0 324.396 4.024 20 10 DICDRN Cc1cc(O)c(CNc2ccc(F)c([C@@H](C)O)c2)cc1Cl ZINC000825893171 1043706639 /nfs/dbraw/zinc/70/66/39/1043706639.db2.gz QQYQMHHHUHQXAA-SNVBAGLBSA-N 0 0 309.768 4.159 20 10 DICDRN Cc1cccc(O)c1CNc1ccc(NC(=O)CC(C)C)cc1 ZINC000876819790 1043713937 /nfs/dbraw/zinc/71/39/37/1043713937.db2.gz OIHGWTAFHKISJL-UHFFFAOYSA-N 0 0 312.413 4.297 20 10 DICDRN C[C@H](Nc1ccc2c(c1)CCCN2C)c1ccc(N(C)C)cc1 ZINC000777657278 1043728671 /nfs/dbraw/zinc/72/86/71/1043728671.db2.gz PHKAOZKNJUYTOL-HNNXBMFYSA-N 0 0 309.457 4.308 20 10 DICDRN [O-]c1c(F)c(F)ccc1C[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000877024474 1043735161 /nfs/dbraw/zinc/73/51/61/1043735161.db2.gz FKCKKRZOCZWFIN-UHFFFAOYSA-N 0 0 309.743 4.103 20 10 DICDRN CC(C)[C@H](Sc1ccccc1)C(=O)N(C)c1ccc(N)cc1 ZINC000877078223 1043739170 /nfs/dbraw/zinc/73/91/70/1043739170.db2.gz ILBODQLTCPMZQO-KRWDZBQOSA-N 0 0 314.454 4.049 20 10 DICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCC(C)(C)C ZINC000737779586 1043761247 /nfs/dbraw/zinc/76/12/47/1043761247.db2.gz IQOUHOWKIOXBGQ-UHFFFAOYSA-N 0 0 316.489 4.462 20 10 DICDRN Cc1nc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)cs1 ZINC000126531133 1043764259 /nfs/dbraw/zinc/76/42/59/1043764259.db2.gz FPKSBCIWDMYJCK-CQSZACIVSA-N 0 0 315.486 4.293 20 10 DICDRN COc1ccc(CNc2ccc(C3CC3)cc2F)c(O)c1OC ZINC000895859960 1043769298 /nfs/dbraw/zinc/76/92/98/1043769298.db2.gz ILDZABZAIGADMC-UHFFFAOYSA-N 0 0 317.360 4.038 20 10 DICDRN CC(=O)N(c1ccc(NCc2ccc(C)cc2O)cc1)[C@H]1C[C@@H]1C ZINC000877554498 1043774536 /nfs/dbraw/zinc/77/45/36/1043774536.db2.gz JJPZZTWOBYDFDQ-LIRRHRJNSA-N 0 0 324.424 4.074 20 10 DICDRN CC(=O)N(c1ccc(NCc2ccc(C)cc2O)cc1)[C@H]1C[C@H]1C ZINC000877554496 1043775282 /nfs/dbraw/zinc/77/52/82/1043775282.db2.gz JJPZZTWOBYDFDQ-KUHUBIRLSA-N 0 0 324.424 4.074 20 10 DICDRN COc1ccccc1[C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000877758840 1043794923 /nfs/dbraw/zinc/79/49/23/1043794923.db2.gz NBMAUCFZOCWRJO-SNVBAGLBSA-N 0 0 309.768 4.044 20 10 DICDRN CC(C)(C)c1ccccc1NC(=O)NCc1c(O)cccc1F ZINC000929191951 1043798018 /nfs/dbraw/zinc/79/80/18/1043798018.db2.gz SIQIDVRSDFJLMI-UHFFFAOYSA-N 0 0 316.376 4.151 20 10 DICDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)N1CCC12COC2 ZINC000877919489 1043825343 /nfs/dbraw/zinc/82/53/43/1043825343.db2.gz POJZTPIUGPSGTR-UHFFFAOYSA-N 0 0 322.368 4.109 20 10 DICDRN C[C@@H](NCc1c(Cl)cncc1Cl)c1ccc(N(C)C)cc1 ZINC000878454736 1043897087 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319.813 4.037 20 10 DICDRN O=C(/C=C/c1cccnc1)N(CC1CCCCC1)c1ccccn1 ZINC000752862178 1045710290 /nfs/dbraw/zinc/71/02/90/1045710290.db2.gz LYXSFNKOWMYXMP-VAWYXSNFSA-N 0 0 321.424 4.103 20 10 DICDRN COc1ccc(N(C)Cc2ccc([N+](=O)[O-])c(F)c2)cc1Cl ZINC000801520996 1045727589 /nfs/dbraw/zinc/72/75/89/1045727589.db2.gz MNEZUYHMQBMVFL-UHFFFAOYSA-N 0 0 324.739 4.032 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CC12CCCC2 ZINC000801546818 1045735164 /nfs/dbraw/zinc/73/51/64/1045735164.db2.gz ZLLJJFGIUGJPHZ-MRXNPFEDSA-N 0 0 301.430 4.101 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1oc(C)cc1C ZINC000801547931 1045735191 /nfs/dbraw/zinc/73/51/91/1045735191.db2.gz GCORGWIBSJQWPS-UHFFFAOYSA-N 0 0 301.386 4.045 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)Cc1ccc(C)s1 ZINC000801549441 1045735288 /nfs/dbraw/zinc/73/52/88/1045735288.db2.gz OBBICPWSKNUWBE-UHFFFAOYSA-N 0 0 317.454 4.134 20 10 DICDRN CCCCSCC(=O)N(CCCC)Cc1ccccc1O ZINC000801545317 1045735457 /nfs/dbraw/zinc/73/54/57/1045735457.db2.gz MVMIPEOLLVFKDJ-UHFFFAOYSA-N 0 0 309.475 4.054 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@H](C)C1 ZINC000801545896 1045735546 /nfs/dbraw/zinc/73/55/46/1045735546.db2.gz FTQJQRVCWBXGQA-JKSUJKDBSA-N 0 0 303.446 4.347 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1sccc1CC ZINC000801549400 1045736300 /nfs/dbraw/zinc/73/63/00/1045736300.db2.gz MQJNYZYYVQVJEK-UHFFFAOYSA-N 0 0 317.454 4.459 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)CC1CCSCC1 ZINC000801548229 1045736371 /nfs/dbraw/zinc/73/63/71/1045736371.db2.gz CGTMCFMCWNMVFX-UHFFFAOYSA-N 0 0 321.486 4.054 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)CCc1ccccc1 ZINC000801549875 1045736710 /nfs/dbraw/zinc/73/67/10/1045736710.db2.gz DWMJIOKVNNIKHL-UHFFFAOYSA-N 0 0 311.425 4.154 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)CSC(C)(C)C ZINC000801550211 1045737192 /nfs/dbraw/zinc/73/71/92/1045737192.db2.gz RRIZSXUMYXOJEX-UHFFFAOYSA-N 0 0 309.475 4.053 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)/C=C1\CC[C@H](C)C1 ZINC000801551009 1045738436 /nfs/dbraw/zinc/73/84/36/1045738436.db2.gz GUCZJDPLLAJILQ-XERWBJCMSA-N 0 0 301.430 4.267 20 10 DICDRN Cc1cc(C(=O)Nc2ccccc2C)c(C)n1-c1ccccn1 ZINC000078585491 1045744690 /nfs/dbraw/zinc/74/46/90/1045744690.db2.gz FBIXXFXJCNQMBM-UHFFFAOYSA-N 0 0 305.381 4.050 20 10 DICDRN CC(C)Oc1c(F)cc(NCc2cc(F)ccc2O)cc1F ZINC000753570438 1045762680 /nfs/dbraw/zinc/76/26/80/1045762680.db2.gz RGHPMWKRMZPBNB-UHFFFAOYSA-N 0 0 311.303 4.209 20 10 DICDRN CC1(CC(=O)NCCCSc2nccs2)CCCCC1 ZINC000753575708 1045765088 /nfs/dbraw/zinc/76/50/88/1045765088.db2.gz POGKWUKVDJQXGM-UHFFFAOYSA-N 0 0 312.504 4.102 20 10 DICDRN CC[C@@H](C)[C@@H](C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000780325560 1045782609 /nfs/dbraw/zinc/78/26/09/1045782609.db2.gz HKDZIDQFRHBNGY-IAGOWNOFSA-N 0 0 316.489 4.318 20 10 DICDRN COc1cccc(N(CC(C)C)C(=O)/C(C)=C\c2cccnc2)c1 ZINC001124885191 1045791838 /nfs/dbraw/zinc/79/18/38/1045791838.db2.gz NPGHQBLHSVPKPD-WJDWOHSUSA-N 0 0 324.424 4.183 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCC[C@@H](C)C2)cc1 ZINC001124944293 1045810305 /nfs/dbraw/zinc/81/03/05/1045810305.db2.gz UVWMRUKXZQVFIK-RDTXWAMCSA-N 0 0 310.441 4.403 20 10 DICDRN Cc1ccc(/C=C\C(=O)N(C)c2ccc3ccccc3c2)cn1 ZINC000754024593 1045835182 /nfs/dbraw/zinc/83/51/82/1045835182.db2.gz GHXNDJBPGFNDDB-XFXZXTDPSA-N 0 0 302.377 4.219 20 10 DICDRN Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N(C)Cc1ccccc1O ZINC000754181028 1045859573 /nfs/dbraw/zinc/85/95/73/1045859573.db2.gz HVMQNBPAPMGAMN-WBVHZDCISA-N 0 0 323.436 4.340 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000801961286 1045863622 /nfs/dbraw/zinc/86/36/22/1045863622.db2.gz UAJXEVCTVDGOBF-DOTOQJQBSA-N 0 0 318.461 4.283 20 10 DICDRN CCCCCCNC(=O)N(CCCC)Cc1ccccc1O ZINC000801959676 1045864805 /nfs/dbraw/zinc/86/48/05/1045864805.db2.gz LCHRLHMYDYKRMA-UHFFFAOYSA-N 0 0 306.450 4.284 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)NC1CCCCCC1 ZINC000801960847 1045864824 /nfs/dbraw/zinc/86/48/24/1045864824.db2.gz PBYLGQLNSFHLLN-UHFFFAOYSA-N 0 0 318.461 4.427 20 10 DICDRN CC[C@@H](CC(C)C)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC001125167391 1045865685 /nfs/dbraw/zinc/86/56/85/1045865685.db2.gz XDKJLLUCCXCEFH-KRWDZBQOSA-N 0 0 304.478 4.221 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CC=CCC1 ZINC000802043194 1045877703 /nfs/dbraw/zinc/87/77/03/1045877703.db2.gz SPILSMMSGSPYBP-INIZCTEOSA-N 0 0 316.445 4.060 20 10 DICDRN C[C@@H](CCC(C)(C)C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000754348095 1045877894 /nfs/dbraw/zinc/87/78/94/1045877894.db2.gz PCKYJALCTSRIRS-HNNXBMFYSA-N 0 0 304.478 4.173 20 10 DICDRN CCCC[C@@](C)(F)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC001125234849 1045879446 /nfs/dbraw/zinc/87/94/46/1045879446.db2.gz FEZONLKROFRHKQ-GOSISDBHSA-N 0 0 308.441 4.067 20 10 DICDRN CCN(Cc1cc(OC)cc(C(C)(C)C)c1O)CC(F)(F)F ZINC000754726685 1045919764 /nfs/dbraw/zinc/91/97/64/1045919764.db2.gz RXUVPIWRIFHSGM-UHFFFAOYSA-N 0 0 319.367 4.083 20 10 DICDRN COc1cc(C)cc(CN(C)Cc2ccc(F)cc2Cl)c1O ZINC000754726555 1045920634 /nfs/dbraw/zinc/92/06/34/1045920634.db2.gz LDVOCPGBMGIPEY-UHFFFAOYSA-N 0 0 323.795 4.134 20 10 DICDRN CCCNC(=O)c1cccc(N[C@@H](CC)c2ccccc2O)c1 ZINC000192715268 1045926986 /nfs/dbraw/zinc/92/69/86/1045926986.db2.gz YUCDTSVJARYEHT-KRWDZBQOSA-N 0 0 312.413 4.095 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)NCC1CC(C)(C)C1 ZINC000802303006 1045946902 /nfs/dbraw/zinc/94/69/02/1045946902.db2.gz XPLCUZUJBDSNAF-UHFFFAOYSA-N 0 0 318.461 4.140 20 10 DICDRN CN(Cc1ccc(Cl)cc1Cl)Cc1c(O)cccc1F ZINC001137831673 1045978458 /nfs/dbraw/zinc/97/84/58/1045978458.db2.gz JRFRHDQRJDBEPS-UHFFFAOYSA-N 0 0 314.187 4.470 20 10 DICDRN COC(=O)c1cnc(SCc2ccc(C(C)C)nc2C)s1 ZINC000829678000 1045999186 /nfs/dbraw/zinc/99/91/86/1045999186.db2.gz VRZMJJZFMHJSKE-UHFFFAOYSA-N 0 0 322.455 4.049 20 10 DICDRN COc1cc(SC)ccc1N[C@H](C)c1cc(F)ccc1O ZINC000193439885 1046012802 /nfs/dbraw/zinc/01/28/02/1046012802.db2.gz UHUJSQZBYVTIGO-SNVBAGLBSA-N 0 0 307.390 4.435 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)Cc1c(F)ccc(F)c1F ZINC001137933464 1046021910 /nfs/dbraw/zinc/02/19/10/1046021910.db2.gz HWWPLLWHMSYFCG-UHFFFAOYSA-N 0 0 322.374 4.192 20 10 DICDRN Oc1c(Cl)cccc1CNc1ccc(OC(F)F)cc1F ZINC000802657795 1046029141 /nfs/dbraw/zinc/02/91/41/1046029141.db2.gz SRXURQAMPCBDTO-UHFFFAOYSA-N 0 0 317.694 4.398 20 10 DICDRN CCOc1ccc(CN(c2ccc(OC)c(F)c2)C(C)C)nc1 ZINC000755933499 1046031184 /nfs/dbraw/zinc/03/11/84/1046031184.db2.gz KZZNSFWXIHHCKJ-UHFFFAOYSA-N 0 0 318.392 4.043 20 10 DICDRN CN(C)c1ccc(CN(C)Cc2nc(C(C)(C)C)cs2)cc1 ZINC000756039253 1046042080 /nfs/dbraw/zinc/04/20/80/1046042080.db2.gz KEQGXKLEZONTLH-UHFFFAOYSA-N 0 0 317.502 4.139 20 10 DICDRN CCN(CC)c1ccc(CN(C)Cc2nc(C)c(C)s2)cc1 ZINC000756042949 1046043908 /nfs/dbraw/zinc/04/39/08/1046043908.db2.gz WSWPNTROAMCPPM-UHFFFAOYSA-N 0 0 317.502 4.238 20 10 DICDRN CC(C)Cc1cccc([C@H](C)C(=O)NCc2ccccc2O)c1 ZINC000802777791 1046043787 /nfs/dbraw/zinc/04/37/87/1046043787.db2.gz RJDWLUUKZAXRRE-HNNXBMFYSA-N 0 0 311.425 4.011 20 10 DICDRN CC(C)Cc1cccc([C@@H](C)C(=O)NCc2ccccc2O)c1 ZINC000802777792 1046044326 /nfs/dbraw/zinc/04/43/26/1046044326.db2.gz RJDWLUUKZAXRRE-OAHLLOKOSA-N 0 0 311.425 4.011 20 10 DICDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000830141519 1046045679 /nfs/dbraw/zinc/04/56/79/1046045679.db2.gz VVOCCCDRVOKFKC-IEBWSBKVSA-N 0 0 323.436 4.010 20 10 DICDRN CC[C@@H](C)[C@H](C)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000779753825 1046056767 /nfs/dbraw/zinc/05/67/67/1046056767.db2.gz FVNVWPUVSFRFPB-CVEARBPZSA-N 0 0 304.478 4.173 20 10 DICDRN C[C@@H]([NH2+]C1CCCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756343725 1046067677 /nfs/dbraw/zinc/06/76/77/1046067677.db2.gz NXSXIBSUZJLXPG-MRVPVSSYSA-N 0 0 318.642 4.401 20 10 DICDRN COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756356802 1046069891 /nfs/dbraw/zinc/06/98/91/1046069891.db2.gz ITAQFCKTSJFRNW-GHMZBOCLSA-N 0 0 307.340 4.091 20 10 DICDRN COCCOc1cc(C)ccc1N[C@@H](C)c1cc(C)ccc1O ZINC000193909298 1046081138 /nfs/dbraw/zinc/08/11/38/1046081138.db2.gz LESKFKIJYTVFNZ-HNNXBMFYSA-N 0 0 315.413 4.207 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1cc(F)cc(F)c1[O-] ZINC000756434240 1046081821 /nfs/dbraw/zinc/08/18/21/1046081821.db2.gz JZYNLZJNJOBALQ-BDAKNGLRSA-N 0 0 313.294 4.360 20 10 DICDRN CCOc1ccc(N[C@@H](C)c2cc(OC)ccc2O)c(C)c1 ZINC000193914983 1046082607 /nfs/dbraw/zinc/08/26/07/1046082607.db2.gz RIQIJLGVPPJVHR-ZDUSSCGKSA-N 0 0 301.386 4.281 20 10 DICDRN C[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)c1cc(F)cc(F)c1[O-] ZINC000756434245 1046083082 /nfs/dbraw/zinc/08/30/82/1046083082.db2.gz JZYNLZJNJOBALQ-RKDXNWHRSA-N 0 0 313.294 4.360 20 10 DICDRN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000756459980 1046084416 /nfs/dbraw/zinc/08/44/16/1046084416.db2.gz QUNODEBMRBGSRQ-QWRGUYRKSA-N 0 0 306.387 4.082 20 10 DICDRN Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000756459981 1046085182 /nfs/dbraw/zinc/08/51/82/1046085182.db2.gz QUNODEBMRBGSRQ-WDEREUQCSA-N 0 0 306.387 4.082 20 10 DICDRN CCc1nc2cc(N[C@H](C)c3cc(OC)ccc3O)ccc2o1 ZINC000193928411 1046085872 /nfs/dbraw/zinc/08/58/72/1046085872.db2.gz JKLPMDFKKBZYMV-LLVKDONJSA-N 0 0 312.369 4.278 20 10 DICDRN C[C@@H]([NH2+]Cc1cc2c(s1)CCCC2)c1ccc(F)cc1[O-] ZINC000756484574 1046089070 /nfs/dbraw/zinc/08/90/70/1046089070.db2.gz YWXWEBQXDLVLAC-LLVKDONJSA-N 0 0 305.418 4.322 20 10 DICDRN C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)c1cc(F)cc(F)c1[O-] ZINC000756531898 1046096632 /nfs/dbraw/zinc/09/66/32/1046096632.db2.gz BACUZUXHOHQKCO-GHMZBOCLSA-N 0 0 309.331 4.264 20 10 DICDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC001138128312 1046101666 /nfs/dbraw/zinc/10/16/66/1046101666.db2.gz CHAPERVEPQPKRQ-GFCCVEGCSA-N 0 0 305.780 4.174 20 10 DICDRN CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756578749 1046103011 /nfs/dbraw/zinc/10/30/11/1046103011.db2.gz XFPLXDTVIKYUAX-YHAQOWFVSA-N 0 0 320.260 4.147 20 10 DICDRN [O-]c1c(F)cccc1C[NH+]1CCC2(CCc3ccccc32)CC1 ZINC001138124043 1046103801 /nfs/dbraw/zinc/10/38/01/1046103801.db2.gz WIOHIFLGMOLMGC-UHFFFAOYSA-N 0 0 311.400 4.011 20 10 DICDRN Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1C ZINC000756584202 1046104069 /nfs/dbraw/zinc/10/40/69/1046104069.db2.gz GAQULOQJUBRBCS-KGLIPLIRSA-N 0 0 314.385 4.329 20 10 DICDRN C[N@H+](Cc1cc(Cl)cc(Cl)c1)Cc1cccc(F)c1[O-] ZINC001138131040 1046106111 /nfs/dbraw/zinc/10/61/11/1046106111.db2.gz NXIRUOVRXANIGP-UHFFFAOYSA-N 0 0 314.187 4.470 20 10 DICDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC001138128313 1046106243 /nfs/dbraw/zinc/10/62/43/1046106243.db2.gz CHAPERVEPQPKRQ-LBPRGKRZSA-N 0 0 305.780 4.174 20 10 DICDRN COC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])C(C)C ZINC000756599123 1046106663 /nfs/dbraw/zinc/10/66/63/1046106663.db2.gz XIOBBJLMPKIHGW-JOYOIKCWSA-N 0 0 306.233 4.021 20 10 DICDRN Cc1ccccc1O[C@@H](C)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756606793 1046107880 /nfs/dbraw/zinc/10/78/80/1046107880.db2.gz DHIDCTKPANPDBD-QWHCGFSZSA-N 0 0 321.367 4.097 20 10 DICDRN Cc1cccc([C@@H](C)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000756603446 1046108098 /nfs/dbraw/zinc/10/80/98/1046108098.db2.gz BUGRMOWGQAVZEJ-UONOGXRCSA-N 0 0 314.385 4.063 20 10 DICDRN COc1ccc([C@@H](C)CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000756611931 1046109848 /nfs/dbraw/zinc/10/98/48/1046109848.db2.gz KISRNUSLFLUZIT-KBPBESRZSA-N 0 0 317.404 4.384 20 10 DICDRN C[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])Cc1cccs1 ZINC000756609732 1046109950 /nfs/dbraw/zinc/10/99/50/1046109950.db2.gz FXACHIVURJXACU-QWRGUYRKSA-N 0 0 311.397 4.261 20 10 DICDRN C[C@@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])Cc1cccs1 ZINC000756609729 1046110447 /nfs/dbraw/zinc/11/04/47/1046110447.db2.gz FXACHIVURJXACU-GHMZBOCLSA-N 0 0 311.397 4.261 20 10 DICDRN C[C@H]([NH2+]C[C@H]1SCCc2ccccc21)c1ccc(F)cc1[O-] ZINC000756636256 1046114340 /nfs/dbraw/zinc/11/43/40/1046114340.db2.gz WJZTZDWHYNZETA-KPZWWZAWSA-N 0 0 317.429 4.213 20 10 DICDRN CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756644179 1046115846 /nfs/dbraw/zinc/11/58/46/1046115846.db2.gz ZDPWNBPRLXHKFK-COLVAYQJSA-N 0 0 315.429 4.385 20 10 DICDRN Cc1ccc(-c2cnc(CN(C)c3ccc4c(c3)OCO4)o2)cc1 ZINC000756653316 1046118343 /nfs/dbraw/zinc/11/83/43/1046118343.db2.gz GOKVCSHRTPKUMZ-UHFFFAOYSA-N 0 0 322.364 4.015 20 10 DICDRN C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1cc(Br)c(F)cc1[O-] ZINC000756687258 1046119773 /nfs/dbraw/zinc/11/97/73/1046119773.db2.gz YHVUDYGAXMBTFU-RVBZMBCESA-N 0 0 316.214 4.133 20 10 DICDRN Cc1cccc2c1CC[C@H]2[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756682465 1046119917 /nfs/dbraw/zinc/11/99/17/1046119917.db2.gz HFGAMUISXQULHI-APPDUMDISA-N 0 0 303.352 4.317 20 10 DICDRN C[C@@H]([NH2+]CCc1ccc(F)cc1Cl)c1ccc(F)cc1[O-] ZINC000756707833 1046122478 /nfs/dbraw/zinc/12/24/78/1046122478.db2.gz ZIAUWBKEIQRVQC-SNVBAGLBSA-N 0 0 311.759 4.217 20 10 DICDRN C[C@@H]([NH2+]Cc1coc2ccccc12)c1cc(F)cc(F)c1[O-] ZINC000756708576 1046122593 /nfs/dbraw/zinc/12/25/93/1046122593.db2.gz DWTRLVKTPWIJEY-SNVBAGLBSA-N 0 0 303.308 4.267 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)CC2CCCCC2)cc1 ZINC000195646072 1046128128 /nfs/dbraw/zinc/12/81/28/1046128128.db2.gz DKKZDRMLSNYHCB-UHFFFAOYSA-N 0 0 302.462 4.119 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)C[C@@H](C)c2ccccc2)cc1 ZINC000195646061 1046128156 /nfs/dbraw/zinc/12/81/56/1046128156.db2.gz PAJQVLARBNVFNQ-QGZVFWFLSA-N 0 0 324.468 4.343 20 10 DICDRN CO[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccccc1Cl ZINC000756762740 1046129804 /nfs/dbraw/zinc/12/98/04/1046129804.db2.gz ZIIPMRVSNFKUSH-PIGZYNQJSA-N 0 0 323.795 4.223 20 10 DICDRN CCC(CC)(CO)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756771202 1046130098 /nfs/dbraw/zinc/13/00/98/1046130098.db2.gz SGZJCPRMMLJSEF-SNVBAGLBSA-N 0 0 320.260 4.148 20 10 DICDRN CC(C)CSCCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756775867 1046132591 /nfs/dbraw/zinc/13/25/91/1046132591.db2.gz MGTQKSFMQCOLDS-NSHDSACASA-N 0 0 303.418 4.100 20 10 DICDRN CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756788904 1046135975 /nfs/dbraw/zinc/13/59/75/1046135975.db2.gz YKEDEYCJOCQZPY-GIPNMCIBSA-N 0 0 318.244 4.165 20 10 DICDRN Cc1ccc([C@@H](C)Nc2cccc(N3CCCC3=O)c2)c(O)c1C ZINC000756795605 1046136780 /nfs/dbraw/zinc/13/67/80/1046136780.db2.gz GMBURIXZLICJPJ-OAHLLOKOSA-N 0 0 324.424 4.309 20 10 DICDRN COc1ccc(N[C@H]2C[C@@H](C)c3c2c(O)ccc3F)cc1OC ZINC000756794609 1046137078 /nfs/dbraw/zinc/13/70/78/1046137078.db2.gz JOAWTQGJZBYQBS-MFKMUULPSA-N 0 0 317.360 4.209 20 10 DICDRN COc1ccc(N[C@H]2C[C@@H](C)c3c2c(O)ccc3F)cc1F ZINC000756801308 1046137670 /nfs/dbraw/zinc/13/76/70/1046137670.db2.gz LLCVZJPELBLEAT-RNCFNFMXSA-N 0 0 305.324 4.339 20 10 DICDRN CC1(C)CCC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC001138290257 1046138423 /nfs/dbraw/zinc/13/84/23/1046138423.db2.gz XJVLOJMFKYIOAA-NSHDSACASA-N 0 0 319.426 4.011 20 10 DICDRN CC(=O)Nc1c(C)ccc(N[C@H](C)c2cc(F)ccc2O)c1C ZINC000756815787 1046139437 /nfs/dbraw/zinc/13/94/37/1046139437.db2.gz VCXRHZLTSPIGRK-GFCCVEGCSA-N 0 0 316.376 4.280 20 10 DICDRN C[C@@H]([NH2+]C1(c2ccccc2F)CC1)c1cc(F)cc(F)c1[O-] ZINC000756831928 1046140308 /nfs/dbraw/zinc/14/03/08/1046140308.db2.gz CMNXKGFBYWZRLT-SNVBAGLBSA-N 0 0 307.315 4.149 20 10 DICDRN C[C@H]([NH2+]C1(c2ccccc2)CCC1)c1cc(F)cc(F)c1[O-] ZINC000756818897 1046140800 /nfs/dbraw/zinc/14/08/00/1046140800.db2.gz QEKSUINSVWIWNK-LBPRGKRZSA-N 0 0 303.352 4.400 20 10 DICDRN C[C@H]([NH2+]C1(c2ccccc2)CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756820481 1046141023 /nfs/dbraw/zinc/14/10/23/1046141023.db2.gz XBZQWXMONITFAX-ZDUSSCGKSA-N 0 0 312.369 4.030 20 10 DICDRN COc1cccc(C2([NH2+][C@H](C)c3cc(F)cc(F)c3[O-])CC2)c1 ZINC000756845932 1046142285 /nfs/dbraw/zinc/14/22/85/1046142285.db2.gz XOYAJHIMVZDNBO-LLVKDONJSA-N 0 0 319.351 4.019 20 10 DICDRN C[C@@H]1C[C@@H](Nc2cnn(C(C)(C)C)c2)c2c1c(F)ccc2O ZINC000756855902 1046145625 /nfs/dbraw/zinc/14/56/25/1046145625.db2.gz OLSYVGCNCVPZKD-ZWNOBZJWSA-N 0 0 303.381 4.143 20 10 DICDRN C[C@H]1C[C@@H](Nc2ccn(-c3ccccc3)n2)c2c1c(F)ccc2O ZINC000756866620 1046145786 /nfs/dbraw/zinc/14/57/86/1046145786.db2.gz WXEWCGAOPWKMRQ-SWLSCSKDSA-N 0 0 323.371 4.377 20 10 DICDRN C[C@@H]1C[C@H](Nc2cnn(C(C)(C)C)c2)c2c1c(F)ccc2O ZINC000756855899 1046145831 /nfs/dbraw/zinc/14/58/31/1046145831.db2.gz OLSYVGCNCVPZKD-MFKMUULPSA-N 0 0 303.381 4.143 20 10 DICDRN COc1ccc(F)cc1N[C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756856189 1046145846 /nfs/dbraw/zinc/14/58/46/1046145846.db2.gz KHYMRUHMRJOHGH-TVQRCGJNSA-N 0 0 305.324 4.339 20 10 DICDRN C[C@@H]1C[C@@H](Nc2ccn(-c3ccccc3)n2)c2c1c(F)ccc2O ZINC000756866619 1046146047 /nfs/dbraw/zinc/14/60/47/1046146047.db2.gz WXEWCGAOPWKMRQ-IUODEOHRSA-N 0 0 323.371 4.377 20 10 DICDRN C[C@H]1C[C@H](Nc2ccc(N(C)C)cc2)c2c1c(F)ccc2O ZINC000756869862 1046147232 /nfs/dbraw/zinc/14/72/32/1046147232.db2.gz DQJYYAFMYCMPNH-NHYWBVRUSA-N 0 0 300.377 4.258 20 10 DICDRN CCCCn1ncc(N[C@@H]2C[C@H](C)c3c2c(O)ccc3F)c1C ZINC000756874481 1046147514 /nfs/dbraw/zinc/14/75/14/1046147514.db2.gz PQSUONCVFYWBRH-SMDDNHRTSA-N 0 0 317.408 4.497 20 10 DICDRN CC[C@H]([NH2+]Cc1nccc2c1CCCC2)c1ccc(F)cc1[O-] ZINC000903181356 1046185353 /nfs/dbraw/zinc/18/53/53/1046185353.db2.gz IHIAWJRXDXFHJM-KRWDZBQOSA-N 0 0 314.404 4.046 20 10 DICDRN COc1c(F)cc(F)cc1N[C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000757595496 1046188652 /nfs/dbraw/zinc/18/86/52/1046188652.db2.gz VBOJDPJPYBHZKL-PRHODGIISA-N 0 0 323.314 4.479 20 10 DICDRN CCOc1cc(N[C@@H](C)c2cc(OC)ccc2O)ccc1C ZINC000757587952 1046189465 /nfs/dbraw/zinc/18/94/65/1046189465.db2.gz MJCNQNQBXBUWOT-ZDUSSCGKSA-N 0 0 301.386 4.281 20 10 DICDRN C[C@@H]1C[C@H](Nc2ccc3c(c2)ncn3C)c2c1c(F)ccc2O ZINC000757613272 1046193149 /nfs/dbraw/zinc/19/31/49/1046193149.db2.gz QKOHKRSFWGMHGD-YGRLFVJLSA-N 0 0 311.360 4.078 20 10 DICDRN C[C@@H]1C[C@@H](Nc2ccc3c(c2)ncn3C)c2c1c(F)ccc2O ZINC000757613270 1046193677 /nfs/dbraw/zinc/19/36/77/1046193677.db2.gz QKOHKRSFWGMHGD-QMTHXVAHSA-N 0 0 311.360 4.078 20 10 DICDRN Cc1nc2c(s1)[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])CCC2 ZINC000757635977 1046196175 /nfs/dbraw/zinc/19/61/75/1046196175.db2.gz CQJTUDMNDJXXDO-OQPBUACISA-N 0 0 324.396 4.164 20 10 DICDRN CN(C)c1ccc(OCc2coc(-c3cccc(F)c3)n2)cc1 ZINC000757704419 1046203522 /nfs/dbraw/zinc/20/35/22/1046203522.db2.gz KDVJZBHZSYDHJH-UHFFFAOYSA-N 0 0 312.344 4.126 20 10 DICDRN Cc1cc(C)c([C@H](C)N[C@H]2c3ccccc3OC[C@H]2F)c(O)c1 ZINC000903273321 1046215578 /nfs/dbraw/zinc/21/55/78/1046215578.db2.gz WRQXYCYNVICNIS-OHNRDTAOSA-N 0 0 315.388 4.131 20 10 DICDRN C[C@H](N[C@H]1c2ccccc2OC[C@@H]1F)c1cc(Cl)ccc1O ZINC000903272268 1046216202 /nfs/dbraw/zinc/21/62/02/1046216202.db2.gz NUIJGOZFGNLQKY-NCHVAJSOSA-N 0 0 321.779 4.168 20 10 DICDRN COc1ccc(N(C)Cc2nc(C(C)(C)C)cs2)cc1F ZINC000757851516 1046219302 /nfs/dbraw/zinc/21/93/02/1046219302.db2.gz LOUIVWSERYTLAL-UHFFFAOYSA-N 0 0 308.422 4.225 20 10 DICDRN COc1ccc(N(C)Cc2cc(-c3cccs3)on2)cc1F ZINC000757851214 1046219903 /nfs/dbraw/zinc/21/99/03/1046219903.db2.gz FHHSFWCHEZJFQY-UHFFFAOYSA-N 0 0 318.373 4.187 20 10 DICDRN C[C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000088506845 1046232320 /nfs/dbraw/zinc/23/23/20/1046232320.db2.gz DACAGTLFKZPENB-FZMZJTMJSA-N 0 0 312.251 4.213 20 10 DICDRN CC[C@H](NCc1nc(C(C)(C)C)co1)c1ccc(C)cc1O ZINC000903313609 1046234710 /nfs/dbraw/zinc/23/47/10/1046234710.db2.gz UPIHPNBOZVPVRM-AWEZNQCLSA-N 0 0 302.418 4.227 20 10 DICDRN Cc1cc(Cl)cc([C@@H](C)NCc2nc(C(C)(C)C)co2)c1O ZINC000903313790 1046237342 /nfs/dbraw/zinc/23/73/42/1046237342.db2.gz ZGEJECZQCNBOBA-LLVKDONJSA-N 0 0 322.836 4.490 20 10 DICDRN CC[C@@H]([NH2+][C@H](c1ccncc1)C1CC1)c1ccc(F)cc1[O-] ZINC000903428135 1046276949 /nfs/dbraw/zinc/27/69/49/1046276949.db2.gz MHDYIXMZDRUCDR-AEFFLSMTSA-N 0 0 300.377 4.118 20 10 DICDRN Nc1ccc(NC(=O)c2ccccc2NC2CCCCC2)cc1 ZINC000832250640 1046297261 /nfs/dbraw/zinc/29/72/61/1046297261.db2.gz VKIFRPJTIAMMFL-UHFFFAOYSA-N 0 0 309.413 4.266 20 10 DICDRN CCOc1ccc(NCc2cc(F)c(N(C)C)cc2F)c(F)c1 ZINC001202870781 1046311035 /nfs/dbraw/zinc/31/10/35/1046311035.db2.gz XATOQSLDTGMMPD-UHFFFAOYSA-N 0 0 324.346 4.181 20 10 DICDRN Fc1ccc2ccnc(NCCCSc3nccs3)c2c1 ZINC000759315067 1046343468 /nfs/dbraw/zinc/34/34/68/1046343468.db2.gz LNGVTZWDSWBYOU-UHFFFAOYSA-N 0 0 319.430 4.425 20 10 DICDRN CCC(=CC(=O)Nc1c(-c2ccccn2)nc2ccccn21)CC ZINC000759475237 1046358425 /nfs/dbraw/zinc/35/84/25/1046358425.db2.gz WDYILHWQZQPNKT-UHFFFAOYSA-N 0 0 320.396 4.081 20 10 DICDRN O=C(NCc1ccccc1O)c1sc2ccccc2c1Cl ZINC000748352595 1046367606 /nfs/dbraw/zinc/36/76/06/1046367606.db2.gz DYMIDCGQLFZUPG-UHFFFAOYSA-N 0 0 317.797 4.190 20 10 DICDRN CC(C)(C)OC(=O)NCCSc1ncc(C(C)(C)C)s1 ZINC000759712815 1046374562 /nfs/dbraw/zinc/37/45/62/1046374562.db2.gz AVHNATIUVUTLPZ-UHFFFAOYSA-N 0 0 316.492 4.057 20 10 DICDRN CC(C)(C)c1cnc(SCc2noc(C(C)(C)C)n2)s1 ZINC000759719769 1046376831 /nfs/dbraw/zinc/37/68/31/1046376831.db2.gz MNVLXGRQDATDND-UHFFFAOYSA-N 0 0 311.476 4.413 20 10 DICDRN COc1ccc(N(C)Cc2cnc(C3CCC3)s2)cc1F ZINC000780779517 1046404538 /nfs/dbraw/zinc/40/45/38/1046404538.db2.gz JBUBDSQLDQYDOI-UHFFFAOYSA-N 0 0 306.406 4.195 20 10 DICDRN COc1ccc(N(C)Cc2c[nH]nc2C(C)(C)C)cc1Cl ZINC000780778676 1046405391 /nfs/dbraw/zinc/40/53/91/1046405391.db2.gz NPPQUVBAJJAASM-UHFFFAOYSA-N 0 0 307.825 4.006 20 10 DICDRN CO[C@H]1CC=C(Nc2ccc(Cc3ccc(N)cc3)cc2)CC1 ZINC001212881297 1046427115 /nfs/dbraw/zinc/42/71/15/1046427115.db2.gz FVGQDFRNEROUHC-FQEVSTJZSA-N 0 0 308.425 4.354 20 10 DICDRN COc1ccc(N(Cc2ccco2)Cc2ccccn2)cc1F ZINC000121872487 1046432835 /nfs/dbraw/zinc/43/28/35/1046432835.db2.gz WBSUMTZZFMQDMN-UHFFFAOYSA-N 0 0 312.344 4.029 20 10 DICDRN COc1ccc(N(Cc2cscn2)Cc2ccccc2)cc1 ZINC000781314312 1046439541 /nfs/dbraw/zinc/43/95/41/1046439541.db2.gz KBPNNLYLBNIGET-UHFFFAOYSA-N 0 0 310.422 4.359 20 10 DICDRN Cc1nn(-c2ccccc2)cc1N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000781424455 1046444536 /nfs/dbraw/zinc/44/45/36/1046444536.db2.gz AVOUKYNVQZVZCU-HNNXBMFYSA-N 0 0 320.440 4.420 20 10 DICDRN COc1ccc2c(c1)CCCCN2C[C@H](OC)C1CCCC1 ZINC001168243033 1046444762 /nfs/dbraw/zinc/44/47/62/1046444762.db2.gz AKMQFEOBNKFXBM-IBGZPJMESA-N 0 0 303.446 4.043 20 10 DICDRN COc1ccc2c(c1)CCCCN2Cc1ccc(F)cc1F ZINC001168244232 1046445367 /nfs/dbraw/zinc/44/53/67/1046445367.db2.gz LGDDHFPFBUNQCD-UHFFFAOYSA-N 0 0 303.352 4.316 20 10 DICDRN CN(C)c1ccc(CN(C)Cc2c(Cl)ccnc2Cl)cc1 ZINC001139480686 1046454844 /nfs/dbraw/zinc/45/48/44/1046454844.db2.gz LEAUHJWKIGICTA-UHFFFAOYSA-N 0 0 324.255 4.086 20 10 DICDRN CC1(C)CC[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)C1 ZINC000781683328 1046468780 /nfs/dbraw/zinc/46/87/80/1046468780.db2.gz AFBBLTUWGDPINR-QGZVFWFLSA-N 0 0 314.473 4.119 20 10 DICDRN Cc1cc(C[N@@H+]2CCCC[C@H]2c2cccnc2)ccc1N(C)C ZINC001139671773 1046497700 /nfs/dbraw/zinc/49/77/00/1046497700.db2.gz KQUIERLOWTVMNU-FQEVSTJZSA-N 0 0 309.457 4.183 20 10 DICDRN CC[C@@H]1c2ccccc2CC[N@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139686038 1046498549 /nfs/dbraw/zinc/49/85/49/1046498549.db2.gz KVGRCLNUCXICRB-QGZVFWFLSA-N 0 0 303.352 4.180 20 10 DICDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001139686359 1046499128 /nfs/dbraw/zinc/49/91/28/1046499128.db2.gz VYRYFYSRAPGYFB-GFCCVEGCSA-N 0 0 323.770 4.313 20 10 DICDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC001139683974 1046499224 /nfs/dbraw/zinc/49/92/24/1046499224.db2.gz FZUOVXZOIHFOBU-MRXNPFEDSA-N 0 0 307.315 4.147 20 10 DICDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001139689655 1046499240 /nfs/dbraw/zinc/49/92/40/1046499240.db2.gz JHBFWATYRODHEK-CQSZACIVSA-N 0 0 321.342 4.017 20 10 DICDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC001139683965 1046499758 /nfs/dbraw/zinc/49/97/58/1046499758.db2.gz FZUOVXZOIHFOBU-INIZCTEOSA-N 0 0 307.315 4.147 20 10 DICDRN COc1ccc([C@@H]2CCC[N@@H+]2Cc2c(F)ccc(F)c2[O-])cc1 ZINC001139683046 1046500011 /nfs/dbraw/zinc/50/00/11/1046500011.db2.gz FOUPJCHQUXSGCG-KRWDZBQOSA-N 0 0 319.351 4.016 20 10 DICDRN CC1(c2ccccc2)CC[NH+](Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139687579 1046500071 /nfs/dbraw/zinc/50/00/71/1046500071.db2.gz PBVCOLVOLKIXNQ-UHFFFAOYSA-N 0 0 317.379 4.224 20 10 DICDRN C[C@H]([NH2+][C@H](c1ccccc1)c1ccccn1)c1ccc(F)cc1[O-] ZINC000359971335 1046529946 /nfs/dbraw/zinc/52/99/46/1046529946.db2.gz BKLKQECMPWFQAQ-VBKZILBWSA-N 0 0 322.383 4.367 20 10 DICDRN Cc1oncc1CN(C)c1ccc(OCc2ccccc2)cc1 ZINC000782556786 1046535316 /nfs/dbraw/zinc/53/53/16/1046535316.db2.gz YEFNQKNAGSIGNE-UHFFFAOYSA-N 0 0 308.381 4.198 20 10 DICDRN Cc1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000248115056 1046551064 /nfs/dbraw/zinc/55/10/64/1046551064.db2.gz PCAJIJVOYTZFFB-UHFFFAOYSA-N 0 0 321.376 4.136 20 10 DICDRN CC[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1ccccc1F ZINC001202987134 1046557540 /nfs/dbraw/zinc/55/75/40/1046557540.db2.gz UREPNAHUMKLYCZ-QGZVFWFLSA-N 0 0 322.374 4.411 20 10 DICDRN Cc1cc(C(=O)NCCC2(C)CC2)c(C)n1-c1ccc(F)cc1 ZINC001139989614 1046563271 /nfs/dbraw/zinc/56/32/71/1046563271.db2.gz RWJCWOUMSWVSSO-UHFFFAOYSA-N 0 0 314.404 4.153 20 10 DICDRN C[C@H]([NH2+]C[C@@H]1CCC=CO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000783306639 1046577383 /nfs/dbraw/zinc/57/73/83/1046577383.db2.gz ZUWCFKMARUIIOB-UWVGGRQHSA-N 0 0 302.201 4.042 20 10 DICDRN CCOc1ccc([C@H]2CCC[N@@H+]2Cc2cc(F)ccc2O)cc1 ZINC001140055320 1046577878 /nfs/dbraw/zinc/57/78/78/1046577878.db2.gz RDNJKFHUXBSJQF-GOSISDBHSA-N 0 0 315.388 4.267 20 10 DICDRN Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC001140059170 1046579282 /nfs/dbraw/zinc/57/92/82/1046579282.db2.gz WXFVSUJJTWDDLZ-MRXNPFEDSA-N 0 0 307.315 4.147 20 10 DICDRN C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1cc(Br)cc(F)c1[O-] ZINC000783311740 1046581068 /nfs/dbraw/zinc/58/10/68/1046581068.db2.gz ZRGHIXUKFDNEEL-KKZNHRDASA-N 0 0 316.214 4.133 20 10 DICDRN C[C@H](Nc1ccc2c(cnn2C(F)F)c1)c1ccccc1O ZINC000783530827 1046605442 /nfs/dbraw/zinc/60/54/42/1046605442.db2.gz CGUOXGQZHBTTJR-JTQLQIEISA-N 0 0 303.312 4.310 20 10 DICDRN CCOc1cc2c(cc1N[C@@H](C)c1ccccc1O)O[C@H](C)C2 ZINC000783528550 1046605793 /nfs/dbraw/zinc/60/57/93/1046605793.db2.gz OFNHJEWLPSFENZ-OLZOCXBDSA-N 0 0 313.397 4.287 20 10 DICDRN COc1ccc(N[C@@H](C)c2ccccc2O)c(Br)c1 ZINC000783531065 1046605934 /nfs/dbraw/zinc/60/59/34/1046605934.db2.gz CBTHKSIGKQPSJH-JTQLQIEISA-N 0 0 322.202 4.336 20 10 DICDRN CON(CC(C)(C)C)C(=O)c1sccc1-n1c(C)ccc1C ZINC001140193525 1046612259 /nfs/dbraw/zinc/61/22/59/1046612259.db2.gz VPZDHEZONRPMCP-UHFFFAOYSA-N 0 0 320.458 4.205 20 10 DICDRN COc1ccc(CN[C@@H](c2ccc(C)o2)C(F)(F)F)cc1C ZINC000783671507 1046621477 /nfs/dbraw/zinc/62/14/77/1046621477.db2.gz JNISUGUNKJGDOF-HNNXBMFYSA-N 0 0 313.319 4.298 20 10 DICDRN CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000783740661 1046629871 /nfs/dbraw/zinc/62/98/71/1046629871.db2.gz JTOQIURUXSGSDY-NSHDSACASA-N 0 0 313.722 4.251 20 10 DICDRN CN1C(=O)/C(=C\c2ccccc2-c2ccccc2)SC1=S ZINC000207760804 1046630837 /nfs/dbraw/zinc/63/08/37/1046630837.db2.gz CZWAEVMRVPKETQ-RVDMUPIBSA-N 0 0 311.431 4.185 20 10 DICDRN CCN(C(=O)/C=C\c1cnccc1C)c1ccccc1Cl ZINC000783896662 1046642969 /nfs/dbraw/zinc/64/29/69/1046642969.db2.gz RITFBHANQLIFSQ-HJWRWDBZSA-N 0 0 300.789 4.110 20 10 DICDRN Oc1cccc2c1[C@@H](Nc1cccc(OCC(F)(F)F)c1)CC2 ZINC000834748123 1046664818 /nfs/dbraw/zinc/66/48/18/1046664818.db2.gz OSPSAVKMJNPXGO-AWEZNQCLSA-N 0 0 323.314 4.433 20 10 DICDRN C[C@H]1CN(Cc2c(O)cccc2Cl)[C@@H](c2ccccc2)CO1 ZINC001140342686 1046667807 /nfs/dbraw/zinc/66/78/07/1046667807.db2.gz UVXHYFUINDDEEK-SUMWQHHRSA-N 0 0 317.816 4.008 20 10 DICDRN CC(C)Cn1ncc(N[C@@H]2CCc3cccc(O)c32)c1C1CC1 ZINC000834802845 1046672008 /nfs/dbraw/zinc/67/20/08/1046672008.db2.gz FOCUNSULANCVBQ-OAHLLOKOSA-N 0 0 311.429 4.222 20 10 DICDRN CC(C)Cn1cc[nH+]c1NCc1cc(Cl)cc(Cl)c1[O-] ZINC000795806082 1046678848 /nfs/dbraw/zinc/67/88/48/1046678848.db2.gz UBPPIXSTLPIKGO-UHFFFAOYSA-N 0 0 314.216 4.164 20 10 DICDRN C[C@H](Nc1ccccc1OCCF)c1cc(F)cc(F)c1O ZINC000834843759 1046684926 /nfs/dbraw/zinc/68/49/26/1046684926.db2.gz KNGYGTVFOLIBEF-JTQLQIEISA-N 0 0 311.303 4.192 20 10 DICDRN Cc1cc(C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])ccn1 ZINC000834860772 1046688355 /nfs/dbraw/zinc/68/83/55/1046688355.db2.gz UCTLMMWMHRYQOM-JTQLQIEISA-N 0 0 311.212 4.253 20 10 DICDRN CC[C@H]([NH2+]C[C@@H](C)CCCO)c1ccc(Cl)c(Cl)c1[O-] ZINC000834871009 1046690093 /nfs/dbraw/zinc/69/00/93/1046690093.db2.gz MIRIULQWHOBAGY-GWCFXTLKSA-N 0 0 320.260 4.148 20 10 DICDRN CC[C@H]([NH2+]C[C@@H](C)CCCO)c1cc(Cl)cc(Cl)c1[O-] ZINC000834869672 1046690559 /nfs/dbraw/zinc/69/05/59/1046690559.db2.gz CJMBZIHPNKWZCV-HZMBPMFUSA-N 0 0 320.260 4.148 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)CC(C)(C)O)c1ccc(Cl)c(Cl)c1[O-] ZINC000834877100 1046693234 /nfs/dbraw/zinc/69/32/34/1046693234.db2.gz ZGMQNUOEDOZMFM-BXKDBHETSA-N 0 0 320.260 4.289 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1cc(Cl)cc(Cl)c1[O-] ZINC000834876849 1046693267 /nfs/dbraw/zinc/69/32/67/1046693267.db2.gz RNJQPKUJMXSJRC-TVQRCGJNSA-N 0 0 320.260 4.289 20 10 DICDRN CC[C@H]([NH2+][C@H](C)CCCCO)c1cc(Cl)cc(Cl)c1[O-] ZINC000834876558 1046693824 /nfs/dbraw/zinc/69/38/24/1046693824.db2.gz CMSJHQIJNJZIPF-YGRLFVJLSA-N 0 0 320.260 4.291 20 10 DICDRN C[C@H]([NH2+]C[C@@H]1CCCC1(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000834886590 1046699909 /nfs/dbraw/zinc/69/99/09/1046699909.db2.gz UGZQLSNFHIPAKT-UWVGGRQHSA-N 0 0 323.305 4.497 20 10 DICDRN Cc1ccncc1C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000834886014 1046700621 /nfs/dbraw/zinc/70/06/21/1046700621.db2.gz HCEIZSBWOAKUOH-SNVBAGLBSA-N 0 0 311.212 4.253 20 10 DICDRN CC[C@H]([NH2+][C@H](C)c1nccn1CC)c1cccc(Cl)c1[O-] ZINC000834892630 1046703433 /nfs/dbraw/zinc/70/34/33/1046703433.db2.gz CCHGKCORQRPNCO-RISCZKNCSA-N 0 0 307.825 4.064 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)c1ccc(F)cc1[O-] ZINC000834898906 1046709830 /nfs/dbraw/zinc/70/98/30/1046709830.db2.gz HWDBKKKSYXEJES-NORZTCDRSA-N 0 0 321.417 4.164 20 10 DICDRN CCc1nc(CN[C@H](C)c2cc(Cl)c(Cl)cc2O)co1 ZINC000834900025 1046711413 /nfs/dbraw/zinc/71/14/13/1046711413.db2.gz SJWRHZSMCHOOOP-MRVPVSSYSA-N 0 0 315.200 4.100 20 10 DICDRN C[C@H]([NH2+]CCC[C@H]1CCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000834901546 1046712488 /nfs/dbraw/zinc/71/24/88/1046712488.db2.gz BNRDNMIMISYJEZ-QWRGUYRKSA-N 0 0 318.244 4.166 20 10 DICDRN CC[C@H]([NH2+]Cc1cnc(C)cc1C)c1cccc(Cl)c1[O-] ZINC000834902116 1046714626 /nfs/dbraw/zinc/71/46/26/1046714626.db2.gz FCMPLMCXLXFZJS-INIZCTEOSA-N 0 0 304.821 4.298 20 10 DICDRN C[C@H](Nc1cccc(CCO)c1)c1ccc(N2CCCCC2)cc1 ZINC000834907268 1046715962 /nfs/dbraw/zinc/71/59/62/1046715962.db2.gz MQVNIZYZVDJDTD-KRWDZBQOSA-N 0 0 324.468 4.385 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccc(SC)cc1)c1ccc(F)cc1[O-] ZINC000796704570 1046720608 /nfs/dbraw/zinc/72/06/08/1046720608.db2.gz PMZNJYGKVCTOQC-MRXNPFEDSA-N 0 0 305.418 4.494 20 10 DICDRN CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000834913412 1046720774 /nfs/dbraw/zinc/72/07/74/1046720774.db2.gz PGEUKRUFSCBMFG-ZLKJLUDKSA-N 0 0 317.351 4.019 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CCCOc2ccccc21)c1ccc(F)cc1[O-] ZINC000796735734 1046724084 /nfs/dbraw/zinc/72/40/84/1046724084.db2.gz FHQDNBSMLWYLDT-DLBZAZTESA-N 0 0 315.388 4.486 20 10 DICDRN CC[C@H]([NH2+][C@H](C)CCc1ccc(O)cc1)c1ccc(F)cc1[O-] ZINC000796748442 1046726894 /nfs/dbraw/zinc/72/68/94/1046726894.db2.gz LKVSFSMHIAVBEJ-ACJLOTCBSA-N 0 0 317.404 4.299 20 10 DICDRN CC[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1ccc(F)cc1[O-] ZINC000796760070 1046727975 /nfs/dbraw/zinc/72/79/75/1046727975.db2.gz KIZCIYMVOJFGDW-GUYCJALGSA-N 0 0 315.388 4.138 20 10 DICDRN CCc1ccncc1NCc1cc(C)cc(Br)c1O ZINC001203037286 1046729860 /nfs/dbraw/zinc/72/98/60/1046729860.db2.gz FZJOXJMXOWIRRR-UHFFFAOYSA-N 0 0 321.218 4.033 20 10 DICDRN CC[C@H]([NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C)c1ccc(F)cc1[O-] ZINC000796772599 1046730789 /nfs/dbraw/zinc/73/07/89/1046730789.db2.gz UKBOWVXRPAKBMR-RPVQJOFSSA-N 0 0 323.452 4.413 20 10 DICDRN CC[C@H]([NH2+][C@H](C)C[C@@H](O)c1ccccc1)c1ccc(F)cc1[O-] ZINC000796797207 1046735502 /nfs/dbraw/zinc/73/55/02/1046735502.db2.gz LOPOCLGXCHNAKI-JEBQAFNWSA-N 0 0 317.404 4.084 20 10 DICDRN CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(Cl)cc1O ZINC001140464441 1046736421 /nfs/dbraw/zinc/73/64/21/1046736421.db2.gz PYXNYENLRLVLCN-UHFFFAOYSA-N 0 0 318.848 4.134 20 10 DICDRN CC[C@H]([NH2+]C[C@H]1CCCO[C@H]1C(C)C)c1ccc(F)cc1[O-] ZINC000796828422 1046741264 /nfs/dbraw/zinc/74/12/64/1046741264.db2.gz VCRYHEGFZIEVCA-SKDZVZGDSA-N 0 0 309.425 4.023 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)Cc1cccc(OC)c1)c1ccc(F)cc1[O-] ZINC000796823627 1046741423 /nfs/dbraw/zinc/74/14/23/1046741423.db2.gz BJNCPZANBVPPEA-SCLBCKFNSA-N 0 0 317.404 4.212 20 10 DICDRN CC[C@@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)c1ccc(F)cc1[O-] ZINC000796835419 1046743107 /nfs/dbraw/zinc/74/31/07/1046743107.db2.gz LQBPUGTWSBZRRK-DOTOQJQBSA-N 0 0 321.436 4.454 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1ccc(F)cc1[O-] ZINC000796840374 1046744006 /nfs/dbraw/zinc/74/40/06/1046744006.db2.gz WPGNEAFYQLEFDD-QGZVFWFLSA-N 0 0 317.408 4.084 20 10 DICDRN CC[C@@H](Nc1cc(OC)c(OC)cc1C)c1ccc(F)cc1O ZINC000796857589 1046746131 /nfs/dbraw/zinc/74/61/31/1046746131.db2.gz QQMKXVWRZIHAEO-CQSZACIVSA-N 0 0 319.376 4.420 20 10 DICDRN CC[C@H]([NH2+]C1(c2ccc(F)cc2)CC1)c1ccc(F)cc1[O-] ZINC000796872892 1046751217 /nfs/dbraw/zinc/75/12/17/1046751217.db2.gz KAQUZBHGEXTANO-INIZCTEOSA-N 0 0 303.352 4.400 20 10 DICDRN CC[C@@H](Nc1cc(OC)cc(OC)c1)c1ccc(F)cc1O ZINC000796901667 1046754313 /nfs/dbraw/zinc/75/43/13/1046754313.db2.gz YEDSGGIRDZGQDG-MRXNPFEDSA-N 0 0 305.349 4.112 20 10 DICDRN CC[C@@H]([NH2+]CC1CCC(F)(F)CC1)c1ccc(F)cc1[O-] ZINC000796990945 1046766524 /nfs/dbraw/zinc/76/65/24/1046766524.db2.gz YYDCTLCCDZYFDE-CQSZACIVSA-N 0 0 301.352 4.398 20 10 DICDRN CC[C@H]([NH2+]CCC1C[C@H](C)O[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000796991922 1046766792 /nfs/dbraw/zinc/76/67/92/1046766792.db2.gz ZBRITBXMESRARL-DCGLDWPTSA-N 0 0 309.425 4.166 20 10 DICDRN CC[C@@H]([NH2+][C@@H]1CSc2ccccc21)c1ccc(F)cc1[O-] ZINC000796780437 1046766906 /nfs/dbraw/zinc/76/69/06/1046766906.db2.gz RIQSSNSIZCYGAX-HUUCEWRRSA-N 0 0 303.402 4.419 20 10 DICDRN CC[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)c1ccc(F)cc1[O-] ZINC000796985769 1046767631 /nfs/dbraw/zinc/76/76/31/1046767631.db2.gz SIPAVGHWGYVSLI-FZMZJTMJSA-N 0 0 301.352 4.398 20 10 DICDRN CC[C@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000796991925 1046768488 /nfs/dbraw/zinc/76/84/88/1046768488.db2.gz ZBRITBXMESRARL-XNJGSVPQSA-N 0 0 309.425 4.166 20 10 DICDRN C[C@H]([NH2+][C@H]1CSC[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000797067255 1046784271 /nfs/dbraw/zinc/78/42/71/1046784271.db2.gz YJOKTLUJONOELD-FYBVGQRMSA-N 0 0 306.258 4.101 20 10 DICDRN Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1c([O-])cc(F)cc1F ZINC001140580789 1046792979 /nfs/dbraw/zinc/79/29/79/1046792979.db2.gz FOWFDFMWUBXOSR-KRWDZBQOSA-N 0 0 303.352 4.316 20 10 DICDRN [O-]c1cc(F)cc(F)c1C[N@H+](Cc1ccccc1)C1CCC1 ZINC001140585447 1046795076 /nfs/dbraw/zinc/79/50/76/1046795076.db2.gz IZFAQZIAUQZKMZ-UHFFFAOYSA-N 0 0 303.352 4.225 20 10 DICDRN C[N@H+](Cc1c([O-])cc(F)cc1F)C(C)(C)Cc1ccccc1 ZINC001140584341 1046795367 /nfs/dbraw/zinc/79/53/67/1046795367.db2.gz NUIYNELNOABEDH-UHFFFAOYSA-N 0 0 305.368 4.124 20 10 DICDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001140584940 1046795547 /nfs/dbraw/zinc/79/55/47/1046795547.db2.gz KYJWEYNIVDYYKF-OAHLLOKOSA-N 0 0 321.342 4.017 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1cccc(C)c1 ZINC000302886296 1046815982 /nfs/dbraw/zinc/81/59/82/1046815982.db2.gz AKPMSYMJCCBHDB-UHFFFAOYSA-N 0 0 324.468 4.042 20 10 DICDRN Cc1cc(C(=O)Nc2ccc(C)cn2)c(C)n1-c1ccccc1C ZINC000302910569 1046817378 /nfs/dbraw/zinc/81/73/78/1046817378.db2.gz APFWTKLETKQUDH-UHFFFAOYSA-N 0 0 319.408 4.358 20 10 DICDRN Cc1ccc(O)c(CN2Cc3nc(-c4ccccc4)sc3C2)c1 ZINC001140624317 1046819418 /nfs/dbraw/zinc/81/94/18/1046819418.db2.gz QKIYANADSPYNLY-UHFFFAOYSA-N 0 0 322.433 4.340 20 10 DICDRN CCOC1(C)CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000292783989 1046860103 /nfs/dbraw/zinc/86/01/03/1046860103.db2.gz LQPNNXKBABYRNN-UHFFFAOYSA-N 0 0 318.244 4.090 20 10 DICDRN C[C@H]([NH2+][C@H]1C[C@H](c2cccc(F)c2)C1)c1cc(F)cc(F)c1[O-] ZINC000797998184 1046917594 /nfs/dbraw/zinc/91/75/94/1046917594.db2.gz BIBPDVCLRPOYFX-WBIUFABUSA-N 0 0 321.342 4.406 20 10 DICDRN O=C(/C=C/c1ccc(Cl)nc1)N1CCCCc2sccc21 ZINC000798047108 1046924459 /nfs/dbraw/zinc/92/44/59/1046924459.db2.gz BEXYFQCKIOFZGR-FNORWQNLSA-N 0 0 318.829 4.179 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000798086208 1046926285 /nfs/dbraw/zinc/92/62/85/1046926285.db2.gz KXWDVGIFBYLWFU-NNUKFRKNSA-N 0 0 305.780 4.221 20 10 DICDRN O=C(NCC1CCCCCC1)c1cc2cc(O)c(O)cc2s1 ZINC001140854128 1046931039 /nfs/dbraw/zinc/93/10/39/1046931039.db2.gz NXVMGBULLCYKJX-UHFFFAOYSA-N 0 0 319.426 4.013 20 10 DICDRN C[C@H]1COCCN1C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000836193484 1046933286 /nfs/dbraw/zinc/93/32/86/1046933286.db2.gz JCAJLXZPYDWNIR-AWEZNQCLSA-N 0 0 324.384 4.355 20 10 DICDRN C[C@@H]([NH2+]CCc1cccs1)c1cccc(C(F)(F)F)c1[O-] ZINC000798179530 1046934584 /nfs/dbraw/zinc/93/45/84/1046934584.db2.gz DNZJYINRUTUIBM-SNVBAGLBSA-N 0 0 315.360 4.366 20 10 DICDRN CC[N@H+](Cc1ccc(C)cc1O)[C@H](C)Cc1ccc(OC)cc1 ZINC001140948512 1046957420 /nfs/dbraw/zinc/95/74/20/1046957420.db2.gz KVEBDSCUTXNZPM-MRXNPFEDSA-N 0 0 313.441 4.162 20 10 DICDRN CC[N@H+](Cc1ccc(C)cc1O)[C@@H](C)Cc1ccc(OC)cc1 ZINC001140948511 1046958064 /nfs/dbraw/zinc/95/80/64/1046958064.db2.gz KVEBDSCUTXNZPM-INIZCTEOSA-N 0 0 313.441 4.162 20 10 DICDRN COc1cc(N(C)Cc2ccccc2Cl)cc(OC)c1OC ZINC000303843923 1046996207 /nfs/dbraw/zinc/99/62/07/1046996207.db2.gz CEDNEZHMQUCQKZ-UHFFFAOYSA-N 0 0 321.804 4.002 20 10 DICDRN Fc1cccc2c1CN(Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141076278 1047001675 /nfs/dbraw/zinc/00/16/75/1047001675.db2.gz PVOJLYICVVCXSA-UHFFFAOYSA-N 0 0 322.427 4.040 20 10 DICDRN CCN(C(=O)/C=C\c1cncc(F)c1)c1ccc(Cl)cc1F ZINC000799410049 1047027047 /nfs/dbraw/zinc/02/70/47/1047027047.db2.gz XMUYXZIEHJDRQR-UTCJRWHESA-N 0 0 322.742 4.080 20 10 DICDRN CCN(C(=O)/C=C\c1cnccc1C)c1ccc(Cl)cc1F ZINC000799409502 1047027114 /nfs/dbraw/zinc/02/71/14/1047027114.db2.gz FALHHTSXXVFERW-DAXSKMNVSA-N 0 0 318.779 4.249 20 10 DICDRN Cc1cc(Cl)c(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1C ZINC001141280833 1047074946 /nfs/dbraw/zinc/07/49/46/1047074946.db2.gz HOLYEAYPMQQCQU-XQRVVYSFSA-N 0 0 317.772 4.020 20 10 DICDRN FC(F)Oc1ccc2c(c1)CCCN2CC1CC(F)(F)C1 ZINC001459678770 1047122810 /nfs/dbraw/zinc/12/28/10/1047122810.db2.gz WFNICJMCZGALCH-UHFFFAOYSA-N 0 0 303.299 4.086 20 10 DICDRN O=C(/C=C/c1cc(Cl)cc(Cl)c1)NCc1ccccc1O ZINC001116310003 1047129354 /nfs/dbraw/zinc/12/93/54/1047129354.db2.gz BFIKZNDHBINQDZ-AATRIKPKSA-N 0 0 322.191 4.029 20 10 DICDRN CC(C)c1ocnc1CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC001116457542 1047144063 /nfs/dbraw/zinc/14/40/63/1047144063.db2.gz DFZQEWBURKMAGA-UHFFFAOYSA-N 0 0 315.461 4.275 20 10 DICDRN Cc1cc(-c2nnc(-c3ccncc3)o2)c(C)n1-c1ccccc1 ZINC001117160558 1047197408 /nfs/dbraw/zinc/19/74/08/1047197408.db2.gz DFTOQFUYEJFEEG-UHFFFAOYSA-N 0 0 316.364 4.206 20 10 DICDRN C[C@H](CCCc1cccnc1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000839149010 1047198952 /nfs/dbraw/zinc/19/89/52/1047198952.db2.gz AOBQPYIZGZGUHT-GFCCVEGCSA-N 0 0 322.811 4.081 20 10 DICDRN COc1cc(NCc2ccc(N(C)C)cc2)cc(OC)c1Cl ZINC000839187284 1047203077 /nfs/dbraw/zinc/20/30/77/1047203077.db2.gz UEYSUTLWEYSZBW-UHFFFAOYSA-N 0 0 320.820 4.035 20 10 DICDRN CN(C)c1ccc(CN(C)C(=O)c2ccc3sccc3c2)cc1 ZINC000760319212 1047210512 /nfs/dbraw/zinc/21/05/12/1047210512.db2.gz HANZBDHFYNEVHW-UHFFFAOYSA-N 0 0 324.449 4.240 20 10 DICDRN Cc1cc(-c2nnc(CC3CC3)o2)c(C)n1-c1cccc(C)c1 ZINC001117254898 1047221854 /nfs/dbraw/zinc/22/18/54/1047221854.db2.gz CXACDZZNMSOQNI-UHFFFAOYSA-N 0 0 307.397 4.405 20 10 DICDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCC[C@@H](C)F)c1 ZINC001117806221 1047247017 /nfs/dbraw/zinc/24/70/17/1047247017.db2.gz XZJWCNRXZTWZOQ-LLVKDONJSA-N 0 0 322.811 4.225 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000839622146 1047249384 /nfs/dbraw/zinc/24/93/84/1047249384.db2.gz PAWFILVLUVYCFI-NQIIRXRSSA-N 0 0 323.436 4.325 20 10 DICDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC001142509017 1047265964 /nfs/dbraw/zinc/26/59/64/1047265964.db2.gz TZTKKPSUIRSFHF-INIZCTEOSA-N 0 0 307.315 4.147 20 10 DICDRN CCO[C@@H]1C[C@@H]1c1nnc(-c2cc(C)n(-c3ccccc3)c2C)o1 ZINC001118128999 1047266522 /nfs/dbraw/zinc/26/65/22/1047266522.db2.gz NOOWLNHJAVLFOO-DLBZAZTESA-N 0 0 323.396 4.037 20 10 DICDRN O=C(C1=CC(=O)CS1)N1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000839793094 1047268657 /nfs/dbraw/zinc/26/86/57/1047268657.db2.gz SAQJSEWYECFPIT-MRXNPFEDSA-N 0 0 313.422 4.211 20 10 DICDRN CN(Cc1ccccc1O)C(=O)c1cc2ccc(F)cc2s1 ZINC000383927358 1047272356 /nfs/dbraw/zinc/27/23/56/1047272356.db2.gz ITZALPNDVZNEIP-UHFFFAOYSA-N 0 0 315.369 4.018 20 10 DICDRN C[C@@H](NC(=O)C[C@H](C)c1c[nH]c2ccccc21)c1ccccc1O ZINC000827946887 1047280278 /nfs/dbraw/zinc/28/02/78/1047280278.db2.gz UGBKFVFPYDNJEX-UONOGXRCSA-N 0 0 322.408 4.245 20 10 DICDRN C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)c1ccccc1O ZINC000827946576 1047281027 /nfs/dbraw/zinc/28/10/27/1047281027.db2.gz MTPAEEBJZVLXMS-YUSALJHKSA-N 0 0 321.829 4.088 20 10 DICDRN c1cn(-c2ccccc2)nc1NCc1ccc(N2CCCC2)cc1 ZINC001118382898 1047286479 /nfs/dbraw/zinc/28/64/79/1047286479.db2.gz AVIYHMVSMZBAPD-UHFFFAOYSA-N 0 0 318.424 4.085 20 10 DICDRN Cc1cc(-c2nnc([C@H]3CCO[C@H]3C)o2)c(C)n1-c1ccccc1 ZINC001118414885 1047290686 /nfs/dbraw/zinc/29/06/86/1047290686.db2.gz LTCAQHFPAYCPEI-HOCLYGCPSA-N 0 0 323.396 4.037 20 10 DICDRN Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(F)c(F)cc2[O-])cc1 ZINC001142520822 1047291901 /nfs/dbraw/zinc/29/19/01/1047291901.db2.gz PVFSIXZSBDYGHZ-KRWDZBQOSA-N 0 0 303.352 4.316 20 10 DICDRN [O-]c1cc(F)c(F)cc1C[NH+]1CCC(c2ccccc2F)CC1 ZINC001142520506 1047293014 /nfs/dbraw/zinc/29/30/14/1047293014.db2.gz KVZBDKWALKEIMX-UHFFFAOYSA-N 0 0 321.342 4.189 20 10 DICDRN CC[C@H]([NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1cccc(Cl)c1[O-] ZINC001118427974 1047293932 /nfs/dbraw/zinc/29/39/32/1047293932.db2.gz OYYGQLZRANXZST-UKKREREHSA-N 0 0 301.764 4.130 20 10 DICDRN COc1ccc2cc(NCc3c(O)cccc3OC)ccc2c1 ZINC000796457054 1047296581 /nfs/dbraw/zinc/29/65/81/1047296581.db2.gz BJAIWWWXUFFJLZ-UHFFFAOYSA-N 0 0 309.365 4.175 20 10 DICDRN CC[C@H]1c2ccccc2CC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142527138 1047310397 /nfs/dbraw/zinc/31/03/97/1047310397.db2.gz MAIGCLDIEDAIKI-KRWDZBQOSA-N 0 0 303.352 4.180 20 10 DICDRN COc1cc(C[NH2+]Cc2cccc(Cl)c2[O-])ccc1SC ZINC000898219774 1047323388 /nfs/dbraw/zinc/32/33/88/1047323388.db2.gz LMYSJUGBBAIUKS-UHFFFAOYSA-N 0 0 323.845 4.066 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)CCCc1cccnc1)c1ccc(F)cc1[O-] ZINC000840774921 1047330016 /nfs/dbraw/zinc/33/00/16/1047330016.db2.gz MIJRDCOHUXIJKX-KSSFIOAISA-N 0 0 316.420 4.378 20 10 DICDRN C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000840775006 1047332016 /nfs/dbraw/zinc/33/20/16/1047332016.db2.gz OSJISWLLQQEKKK-STQMWFEESA-N 0 0 320.383 4.127 20 10 DICDRN COC1CCC([NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])CC1 ZINC000840792379 1047333168 /nfs/dbraw/zinc/33/31/68/1047333168.db2.gz KEDRCULUKMRHII-KPPDAEKUSA-N 0 0 318.244 4.307 20 10 DICDRN COc1cc(N[C@@H](C)c2ccccc2O)cc(OC)c1Cl ZINC000840813004 1047338803 /nfs/dbraw/zinc/33/88/03/1047338803.db2.gz JQSZLMAZCBWMHT-JTQLQIEISA-N 0 0 307.777 4.236 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CCCCCC1 ZINC000726161270 1047339504 /nfs/dbraw/zinc/33/95/04/1047339504.db2.gz GCUUIOSWPRHLNS-UHFFFAOYSA-N 0 0 302.462 4.072 20 10 DICDRN COCC[C@H](C)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000840835258 1047342031 /nfs/dbraw/zinc/34/20/31/1047342031.db2.gz LGUSUHXJPJQWMX-VHSXEESVSA-N 0 0 306.233 4.022 20 10 DICDRN CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)NCc1ccccc1O ZINC000726242356 1047342190 /nfs/dbraw/zinc/34/21/90/1047342190.db2.gz XZSBADBMMPNJLQ-GDBMZVCRSA-N 0 0 318.461 4.044 20 10 DICDRN CC[C@@H]([NH2+]Cc1cnccc1C(C)(C)C)c1ccc(F)cc1[O-] ZINC000840856201 1047346026 /nfs/dbraw/zinc/34/60/26/1047346026.db2.gz HIGPJIBRKDOSHN-QGZVFWFLSA-N 0 0 316.420 4.465 20 10 DICDRN C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000840872283 1047348645 /nfs/dbraw/zinc/34/86/45/1047348645.db2.gz JKUBRLJJCNXYSS-VPOLOUISSA-N 0 0 318.244 4.163 20 10 DICDRN CC[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1cccc(Cl)c1[O-] ZINC000840890854 1047355540 /nfs/dbraw/zinc/35/55/40/1047355540.db2.gz NHJVPVJSXHITMP-GFCCVEGCSA-N 0 0 323.849 4.015 20 10 DICDRN COc1ccc(N(CCC(C)C)Cc2nccn2C(F)F)cc1 ZINC000796505746 1047357671 /nfs/dbraw/zinc/35/76/71/1047357671.db2.gz SWGBLZUEDMLOGC-UHFFFAOYSA-N 0 0 323.387 4.340 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCSC2(CCC2)CC1 ZINC000840954399 1047363430 /nfs/dbraw/zinc/36/34/30/1047363430.db2.gz IGEZEYORFHAVOW-UHFFFAOYSA-N 0 0 315.841 4.046 20 10 DICDRN CC(C)(C)c1ccncc1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000840957616 1047363462 /nfs/dbraw/zinc/36/34/62/1047363462.db2.gz DENRCFFRSHBNJL-UHFFFAOYSA-N 0 0 322.811 4.167 20 10 DICDRN Oc1ccccc1CNc1nnc(-c2ccccc2Cl)s1 ZINC000760511535 1047374414 /nfs/dbraw/zinc/37/44/14/1047374414.db2.gz YHTMCLBFVZCNDJ-UHFFFAOYSA-N 0 0 317.801 4.176 20 10 DICDRN Nc1ccc(NC(=O)NCC2(Cc3ccccc3)CCCC2)cc1 ZINC000841295886 1047398404 /nfs/dbraw/zinc/39/84/04/1047398404.db2.gz IJRKGWCLIKDWHT-UHFFFAOYSA-N 0 0 323.440 4.193 20 10 DICDRN C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)Nc1ccc(N)cc1 ZINC000841296057 1047399239 /nfs/dbraw/zinc/39/92/39/1047399239.db2.gz OFLRENKTJNUGKY-ACJLOTCBSA-N 0 0 309.413 4.104 20 10 DICDRN C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)Nc2ccc(N)cc2)C1 ZINC000841299236 1047400011 /nfs/dbraw/zinc/40/00/11/1047400011.db2.gz HYZLXMALFDEZTK-KDOFPFPSSA-N 0 0 309.413 4.274 20 10 DICDRN Nc1ccc(NC(=O)NC[C@H]2CCCC[C@H]2c2ccccc2)cc1 ZINC000841298128 1047400145 /nfs/dbraw/zinc/40/01/45/1047400145.db2.gz MKRZYNMJQUPULD-APWZRJJASA-N 0 0 323.440 4.364 20 10 DICDRN CCCCn1ncc(NC(=O)Nc2ccc(N)cc2)c1C(C)C ZINC000841297309 1047400173 /nfs/dbraw/zinc/40/01/73/1047400173.db2.gz OFQNDRAOODGZJW-UHFFFAOYSA-N 0 0 315.421 4.033 20 10 DICDRN Nc1ccc(NC(=O)N2CCC[C@@H]2CCCc2ccccc2)cc1 ZINC000841298233 1047400261 /nfs/dbraw/zinc/40/02/61/1047400261.db2.gz OQIQXVVQQVHCAR-IBGZPJMESA-N 0 0 323.440 4.288 20 10 DICDRN C[C@H]1CCN(C(=O)Nc2ccc(N)cc2)CC12CCCCC2 ZINC000841295894 1047400435 /nfs/dbraw/zinc/40/04/35/1047400435.db2.gz IPNBWJLMNZFGAK-AWEZNQCLSA-N 0 0 301.434 4.093 20 10 DICDRN Nc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2Cc2ccccc2)cc1 ZINC000841300258 1047400624 /nfs/dbraw/zinc/40/06/24/1047400624.db2.gz OKRQACJFJKBSCV-APWZRJJASA-N 0 0 323.440 4.192 20 10 DICDRN CC(C)c1ccc(C[C@H](C)NC(=O)Nc2ccc(N)cc2)cc1 ZINC000841299161 1047400642 /nfs/dbraw/zinc/40/06/42/1047400642.db2.gz VRPFNHGYBPEOAR-AWEZNQCLSA-N 0 0 311.429 4.145 20 10 DICDRN Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc(N)cc2)o1 ZINC000841300186 1047400797 /nfs/dbraw/zinc/40/07/97/1047400797.db2.gz MFMPYBDSEYNQRY-INIZCTEOSA-N 0 0 313.401 4.319 20 10 DICDRN Nc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2Cc2ccccc2)cc1 ZINC000841300260 1047401389 /nfs/dbraw/zinc/40/13/89/1047401389.db2.gz OKRQACJFJKBSCV-QFBILLFUSA-N 0 0 323.440 4.192 20 10 DICDRN Nc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2Cc2ccccc2)cc1 ZINC000841300262 1047401396 /nfs/dbraw/zinc/40/13/96/1047401396.db2.gz OKRQACJFJKBSCV-VQIMIIECSA-N 0 0 323.440 4.192 20 10 DICDRN CN(C(=O)Nc1ccc(N)cc1)C1CCC(C(C)(C)C)CC1 ZINC000841301802 1047401492 /nfs/dbraw/zinc/40/14/92/1047401492.db2.gz ZSQNKCXBBSKWTL-UHFFFAOYSA-N 0 0 303.450 4.337 20 10 DICDRN CC1(C)CC[C@H](NC(=O)Nc2ccc(N)cc2)c2ccccc21 ZINC000841301150 1047401572 /nfs/dbraw/zinc/40/15/72/1047401572.db2.gz CJSAAYYJQUGCLJ-KRWDZBQOSA-N 0 0 309.413 4.203 20 10 DICDRN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccc(N)cc2)C1 ZINC000841300438 1047401582 /nfs/dbraw/zinc/40/15/82/1047401582.db2.gz RQXSZPWUKXENCI-SJKOYZFVSA-N 0 0 313.376 4.023 20 10 DICDRN Nc1ccc(NC(=O)NCC2CCC(c3ccccc3)CC2)cc1 ZINC000841299600 1047401718 /nfs/dbraw/zinc/40/17/18/1047401718.db2.gz FUBOGCCXHWJOKX-UHFFFAOYSA-N 0 0 323.440 4.364 20 10 DICDRN Nc1ccc(NC(=O)N[C@H]2CCCC[C@H]2Cc2ccccc2)cc1 ZINC000841300259 1047401728 /nfs/dbraw/zinc/40/17/28/1047401728.db2.gz OKRQACJFJKBSCV-LPHOPBHVSA-N 0 0 323.440 4.192 20 10 DICDRN CCCCN(C(=O)Nc1ccc(N)cc1)[C@@H]1CCC[C@H](C)C1 ZINC000841300604 1047401748 /nfs/dbraw/zinc/40/17/48/1047401748.db2.gz XCXYOSBGBYZSDQ-WMLDXEAASA-N 0 0 303.450 4.482 20 10 DICDRN CC[C@H]1CN(C(=O)Nc2ccc(N)cc2)CC[C@H]1c1ccccc1 ZINC000841300835 1047401920 /nfs/dbraw/zinc/40/19/20/1047401920.db2.gz UUHFSPIZVKAGSF-HNAYVOBHSA-N 0 0 323.440 4.316 20 10 DICDRN Nc1ccc(NC(=O)N(Cc2ccccc2)CC2CCC2)cc1 ZINC000841301537 1047401985 /nfs/dbraw/zinc/40/19/85/1047401985.db2.gz SYDWYXGERUKSRZ-UHFFFAOYSA-N 0 0 309.413 4.103 20 10 DICDRN Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)Nc2ccc(N)cc2)cc1 ZINC000841299537 1047402187 /nfs/dbraw/zinc/40/21/87/1047402187.db2.gz IKKGGGOBULYIHJ-OALUTQOASA-N 0 0 323.440 4.377 20 10 DICDRN Nc1ccc(NC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000841300935 1047402226 /nfs/dbraw/zinc/40/22/26/1047402226.db2.gz XHWLAEBSPDRNSL-QGZVFWFLSA-N 0 0 313.376 4.167 20 10 DICDRN Nc1ccc(NC(=O)N2CCCCC[C@H]2c2ccccc2)cc1 ZINC000841301435 1047403004 /nfs/dbraw/zinc/40/30/04/1047403004.db2.gz PBUAJLSQXCRFKT-SFHVURJKSA-N 0 0 309.413 4.418 20 10 DICDRN CN(C)c1ccc(CN(c2nccc3occc32)C2CC2)cc1 ZINC000749272764 1047406756 /nfs/dbraw/zinc/40/67/56/1047406756.db2.gz WIVYUVZEYMMGLF-UHFFFAOYSA-N 0 0 307.397 4.063 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)c2oc(C)cc2C)cc1 ZINC000749318776 1047409033 /nfs/dbraw/zinc/40/90/33/1047409033.db2.gz UMXGKPZOKUVJMI-UHFFFAOYSA-N 0 0 314.429 4.015 20 10 DICDRN C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1CCCC1 ZINC000749341509 1047412558 /nfs/dbraw/zinc/41/25/58/1047412558.db2.gz GWHVAWINRGOUPB-OAHLLOKOSA-N 0 0 314.473 4.070 20 10 DICDRN Nc1ccc(Cc2ccccc2Nc2cccc(CCO)c2)cc1 ZINC001203119344 1047421782 /nfs/dbraw/zinc/42/17/82/1047421782.db2.gz JQBNXLWXCAJFCR-UHFFFAOYSA-N 0 0 318.420 4.138 20 10 DICDRN CC[C@H](CC1CCCCC1)C(=O)N(C)Cc1ccccc1O ZINC000749529142 1047426241 /nfs/dbraw/zinc/42/62/41/1047426241.db2.gz BXDFDMTWQOSFAG-MRXNPFEDSA-N 0 0 303.446 4.347 20 10 DICDRN Cc1cc(C(=O)Nc2cnoc2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000749640721 1047430015 /nfs/dbraw/zinc/43/00/15/1047430015.db2.gz JXGRXYMYAHHWRN-UHFFFAOYSA-N 0 0 323.396 4.458 20 10 DICDRN COCCCC[N@H+](C)Cc1cc2oc3ccccc3c2cc1O ZINC000841690871 1047442307 /nfs/dbraw/zinc/44/23/07/1047442307.db2.gz NIDKPNVSHPBSEP-UHFFFAOYSA-N 0 0 313.397 4.150 20 10 DICDRN C[C@@H]([NH2+][C@H](c1cccnc1)C1CC1)c1ccc(Cl)cc1O ZINC000841748206 1047448615 /nfs/dbraw/zinc/44/86/15/1047448615.db2.gz IICPRGQOJHJGBA-DIFFPNOSSA-N 0 0 302.805 4.243 20 10 DICDRN COc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)c(F)c1 ZINC000841748140 1047448629 /nfs/dbraw/zinc/44/86/29/1047448629.db2.gz HLWJAMGWVYPPCM-JTQLQIEISA-N 0 0 309.768 4.044 20 10 DICDRN COC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)c1ccccc1 ZINC000841747657 1047448826 /nfs/dbraw/zinc/44/88/26/1047448826.db2.gz GYHVCUYOXVZUIY-WBMJQRKESA-N 0 0 305.805 4.084 20 10 DICDRN Cc1csc(CCCC[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])n1 ZINC000841747838 1047450341 /nfs/dbraw/zinc/45/03/41/1047450341.db2.gz UESPPDJSHYAJRG-LBPRGKRZSA-N 0 0 324.877 4.484 20 10 DICDRN C[C@@H]([NH2+]CC(C)(C)c1ccccn1)c1ccc(Cl)cc1[O-] ZINC000841753223 1047451365 /nfs/dbraw/zinc/45/13/65/1047451365.db2.gz FEWIWMVQTHEONR-GFCCVEGCSA-N 0 0 304.821 4.069 20 10 DICDRN C[C@H]([NH2+]CC(C)(C)c1ccccn1)c1ccc(Cl)cc1[O-] ZINC000841753224 1047451528 /nfs/dbraw/zinc/45/15/28/1047451528.db2.gz FEWIWMVQTHEONR-LBPRGKRZSA-N 0 0 304.821 4.069 20 10 DICDRN COc1cc(N[C@H](C)c2ccc(Cl)cc2O)cc(OC)c1 ZINC000841754906 1047452414 /nfs/dbraw/zinc/45/24/14/1047452414.db2.gz VWLZHSDOAVTSNA-SNVBAGLBSA-N 0 0 307.777 4.236 20 10 DICDRN COCCOc1ccccc1N[C@@H](C)c1ccc(Cl)cc1O ZINC000841753916 1047452457 /nfs/dbraw/zinc/45/24/57/1047452457.db2.gz OJXSEAVIDTYSCP-LBPRGKRZSA-N 0 0 321.804 4.244 20 10 DICDRN C[C@H]([NH2+]CC(C)(C)c1cccnc1)c1ccc(Cl)cc1[O-] ZINC000841755853 1047453309 /nfs/dbraw/zinc/45/33/09/1047453309.db2.gz MWSZRBXLXQZOGN-LBPRGKRZSA-N 0 0 304.821 4.069 20 10 DICDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC001142508865 1047463944 /nfs/dbraw/zinc/46/39/44/1047463944.db2.gz OJRJIUFOEYFMOW-KRWDZBQOSA-N 0 0 303.352 4.398 20 10 DICDRN C[N@H+](CCCOc1ccccc1)Cc1c([O-])ccc(Cl)c1F ZINC001204881091 1047465281 /nfs/dbraw/zinc/46/52/81/1047465281.db2.gz MCLKQJVEDXJLFW-UHFFFAOYSA-N 0 0 323.795 4.086 20 10 DICDRN COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(F)c(F)cc2[O-])cc1 ZINC001142521095 1047465241 /nfs/dbraw/zinc/46/52/41/1047465241.db2.gz XMPVMVMIMHZPRM-QGZVFWFLSA-N 0 0 319.351 4.016 20 10 DICDRN CN(C)c1ccc(/C=C/c2ccc(NC(=O)C(F)F)cc2)cc1 ZINC001142789302 1047495891 /nfs/dbraw/zinc/49/58/91/1047495891.db2.gz OXRMQNHRZUZCSQ-ONEGZZNKSA-N 0 0 316.351 4.127 20 10 DICDRN C[C@@H]([NH2+]C1(c2cccc(F)c2)CCC1)c1ccc(F)cc1[O-] ZINC000842903477 1047512596 /nfs/dbraw/zinc/51/25/96/1047512596.db2.gz PYWKADCNBKMTTK-GFCCVEGCSA-N 0 0 303.352 4.400 20 10 DICDRN C[C@@H]([NH2+]C1(c2ccccc2F)CCC1)c1ccc(F)cc1[O-] ZINC000842906923 1047513680 /nfs/dbraw/zinc/51/36/80/1047513680.db2.gz XZIOKQUDFLRMLE-GFCCVEGCSA-N 0 0 303.352 4.400 20 10 DICDRN CC[C@@H](Cc1ccccc1C)c1nc(Cc2ccc(N)cc2)no1 ZINC000843159893 1047530087 /nfs/dbraw/zinc/53/00/87/1047530087.db2.gz CGJVKVPLZDLBOG-INIZCTEOSA-N 0 0 321.424 4.287 20 10 DICDRN CC(C)(C)c1cccc(CN2CC(F)(F)C[C@]2(C)CF)c1O ZINC001143103654 1047531049 /nfs/dbraw/zinc/53/10/49/1047531049.db2.gz IJEHGLMKUAAYEK-MRXNPFEDSA-N 0 0 315.379 4.259 20 10 DICDRN Cc1ccc([C@H](c2noc(Cc3ccc(N)cc3)n2)C(C)C)cc1 ZINC000843230721 1047534567 /nfs/dbraw/zinc/53/45/67/1047534567.db2.gz SRBSMSYERPIPTJ-LJQANCHMSA-N 0 0 321.424 4.339 20 10 DICDRN Cc1ccc(CNC(=O)c2cc(C)ccc2-n2c(C)ccc2C)o1 ZINC001149507626 1047563037 /nfs/dbraw/zinc/56/30/37/1047563037.db2.gz FCUOOEMACJKYPQ-UHFFFAOYSA-N 0 0 322.408 4.234 20 10 DICDRN CCCC[C@@H](CC)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001150378475 1047576718 /nfs/dbraw/zinc/57/67/18/1047576718.db2.gz RWAXTUQBTAWZDI-CQSZACIVSA-N 0 0 303.446 4.104 20 10 DICDRN Cc1cc(C(=O)NC2(C)CCC2)c(C)n1-c1cccc(Cl)c1 ZINC001151267911 1047593753 /nfs/dbraw/zinc/59/37/53/1047593753.db2.gz WCPOWFOLMKTPDX-UHFFFAOYSA-N 0 0 316.832 4.420 20 10 DICDRN C[C@H](NC(=O)c1[nH]c2ccccc2c1Cl)c1ccccc1O ZINC001151892080 1047603372 /nfs/dbraw/zinc/60/33/72/1047603372.db2.gz IBQXNNGUEDNHCW-JTQLQIEISA-N 0 0 314.772 4.018 20 10 DICDRN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1ccccc1O ZINC001151879549 1047603449 /nfs/dbraw/zinc/60/34/49/1047603449.db2.gz SQVMVZSMYAIAGI-SECBINFHSA-N 0 0 310.180 4.190 20 10 DICDRN CC[C@@H]([NH2+]Cc1nc2c(s1)CCCC2)c1ccc(F)cc1[O-] ZINC000926921465 1047607589 /nfs/dbraw/zinc/60/75/89/1047607589.db2.gz UQQDLUBCQCYZEH-CYBMUJFWSA-N 0 0 320.433 4.108 20 10 DICDRN CN(C)c1ccc(OCc2coc(-c3cccs3)n2)cc1 ZINC000757704544 1047628587 /nfs/dbraw/zinc/62/85/87/1047628587.db2.gz MOAJXAPPGCORDK-UHFFFAOYSA-N 0 0 300.383 4.048 20 10 DICDRN CCN(Cc1ccccc1O)c1csc2ncnc(Cl)c12 ZINC001154889688 1047660528 /nfs/dbraw/zinc/66/05/28/1047660528.db2.gz DUDJNNOHPRPURK-UHFFFAOYSA-N 0 0 319.817 4.077 20 10 DICDRN CCN(Cc1ccccc1O)c1c(C)c(Cl)cnc1Cl ZINC001154889198 1047660842 /nfs/dbraw/zinc/66/08/42/1047660842.db2.gz SYADLQOSVFFKBR-UHFFFAOYSA-N 0 0 311.212 4.429 20 10 DICDRN CCN(Cc1ccccc1O)c1cnc2ccc(Cl)cc2n1 ZINC001154889619 1047660775 /nfs/dbraw/zinc/66/07/75/1047660775.db2.gz AFTVXHMXQINWOJ-UHFFFAOYSA-N 0 0 313.788 4.015 20 10 DICDRN CCN(Cc1ccccc1O)c1ncc2cc(Cl)ccc2n1 ZINC001154889193 1047660866 /nfs/dbraw/zinc/66/08/66/1047660866.db2.gz SQCUHSPFUUGUKQ-UHFFFAOYSA-N 0 0 313.788 4.015 20 10 DICDRN CCN(Cc1ccccc1O)c1cc(Cl)nc2ncccc12 ZINC001154889965 1047661310 /nfs/dbraw/zinc/66/13/10/1047661310.db2.gz NIKPVSIJTOZGMH-UHFFFAOYSA-N 0 0 313.788 4.015 20 10 DICDRN CCN(Cc1ccccc1O)c1cc(Oc2ccccc2)ncn1 ZINC001154890224 1047661414 /nfs/dbraw/zinc/66/14/14/1047661414.db2.gz SVEUZESCBNVIJH-UHFFFAOYSA-N 0 0 321.380 4.001 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CC2CCC1CC2 ZINC001155704703 1047687563 /nfs/dbraw/zinc/68/75/63/1047687563.db2.gz NSIYAIASVGNQLD-LEOMRAHMSA-N 0 0 315.457 4.347 20 10 DICDRN CN(C)c1ccc(CN(C)c2cc(Cl)cc(Cl)n2)cc1 ZINC001156920917 1047727473 /nfs/dbraw/zinc/72/74/73/1047727473.db2.gz JKYBAXNQPTZBSK-UHFFFAOYSA-N 0 0 310.228 4.091 20 10 DICDRN CN(C)c1ccc(CN(C)c2nccc3c(F)cccc32)cc1 ZINC001156921318 1047727595 /nfs/dbraw/zinc/72/75/95/1047727595.db2.gz XMXIVSYGZGNPDJ-UHFFFAOYSA-N 0 0 309.388 4.076 20 10 DICDRN CC[C@H](C(=O)NCc1c(O)ccc2ccccc21)c1ccccc1 ZINC001157037786 1047733075 /nfs/dbraw/zinc/73/30/75/1047733075.db2.gz YURBBWXKNVUXCJ-KRWDZBQOSA-N 0 0 319.404 4.355 20 10 DICDRN C[C@@H]1CC[C@H](C(=O)NCc2c(O)ccc3ccccc32)C[C@@H]1C ZINC001157041544 1047733855 /nfs/dbraw/zinc/73/38/55/1047733855.db2.gz ISYAIWWTWODNBZ-YCPHGPKFSA-N 0 0 311.425 4.234 20 10 DICDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)CCC1CCCCCC1 ZINC001157102147 1047735502 /nfs/dbraw/zinc/73/55/02/1047735502.db2.gz JGADHDLAVWMVIG-UHFFFAOYSA-N 0 0 324.461 4.245 20 10 DICDRN Cc1nc(NCc2cc(Cl)c3cccnc3c2O)ccc1F ZINC001157724653 1047750603 /nfs/dbraw/zinc/75/06/03/1047750603.db2.gz RCUGUULBXCAHDU-UHFFFAOYSA-N 0 0 317.751 4.048 20 10 DICDRN Cc1cc(C(=O)NC[C@@H]2C[C@H]2C(C)C)c(C)n1-c1ccccc1C ZINC001158190125 1047771503 /nfs/dbraw/zinc/77/15/03/1047771503.db2.gz FQPYWDJVANSOEK-ROUUACIJSA-N 0 0 324.468 4.424 20 10 DICDRN CC[C@@H]([NH2+][C@@H](c1cnn(C)c1)C(C)C)c1cc(Cl)ccc1O ZINC000927069709 1047795440 /nfs/dbraw/zinc/79/54/40/1047795440.db2.gz MPCMMOVSNXQIFS-NVXWUHKLSA-N 0 0 321.852 4.217 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC001158946506 1047805378 /nfs/dbraw/zinc/80/53/78/1047805378.db2.gz XWKCMLZHRZHOIL-ZHALLVOQSA-N 0 0 322.452 4.321 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001158946504 1047806180 /nfs/dbraw/zinc/80/61/80/1047806180.db2.gz XWKCMLZHRZHOIL-YQVWRLOYSA-N 0 0 322.452 4.321 20 10 DICDRN Cc1ccc2cc(Cl)nc(NCc3ccc(O)c(O)c3)c2c1 ZINC001158997410 1047806644 /nfs/dbraw/zinc/80/66/44/1047806644.db2.gz GZWXXLDPPZMJLY-UHFFFAOYSA-N 0 0 314.772 4.220 20 10 DICDRN Oc1ccc(CNc2cc(Cl)nc3ccc(F)cc32)cc1O ZINC001158994658 1047807045 /nfs/dbraw/zinc/80/70/45/1047807045.db2.gz RQYUTLRBPJNMDP-UHFFFAOYSA-N 0 0 318.735 4.051 20 10 DICDRN Oc1ccc(CNc2cc(Cl)nc3c(F)cccc23)cc1O ZINC001159005523 1047808020 /nfs/dbraw/zinc/80/80/20/1047808020.db2.gz OHXAQAKSKPBKHA-UHFFFAOYSA-N 0 0 318.735 4.051 20 10 DICDRN Cc1cc(C(=O)NC/C=C/C2CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC001159079069 1047811508 /nfs/dbraw/zinc/81/15/08/1047811508.db2.gz QOCWUUDAGPOOPQ-AATRIKPKSA-N 0 0 322.452 4.407 20 10 DICDRN Cc1c[nH]c(=O)cc1Nc1ccc(NCc2ccccc2)cc1 ZINC001159253807 1047823925 /nfs/dbraw/zinc/82/39/25/1047823925.db2.gz BDMGPKJVHALGCW-UHFFFAOYSA-N 0 0 305.381 4.451 20 10 DICDRN Nc1ccc(Nc2ccc(C(=O)Nc3cccc(F)c3)cc2)cc1 ZINC001159486130 1047854002 /nfs/dbraw/zinc/85/40/02/1047854002.db2.gz XXPBZAVTHIPDDW-UHFFFAOYSA-N 0 0 321.355 4.404 20 10 DICDRN COc1ccc(N(c2ccc(N)cc2)c2ccc(N)cc2F)cc1 ZINC001174483075 1047854434 /nfs/dbraw/zinc/85/44/34/1047854434.db2.gz IUCLTPRXQIUBGK-UHFFFAOYSA-N 0 0 323.371 4.469 20 10 DICDRN Cc1cc(OCc2ccccc2)ncc1Nc1ccc(N)cc1 ZINC001159486136 1047855006 /nfs/dbraw/zinc/85/50/06/1047855006.db2.gz YBZCTBMTCHTTGS-UHFFFAOYSA-N 0 0 305.381 4.295 20 10 DICDRN CC(C)(C)NC(=O)c1ccccc1Nc1ccc2c(c1)CCCN2 ZINC001159502472 1047856486 /nfs/dbraw/zinc/85/64/86/1047856486.db2.gz SYGAMCTYDOXVPX-UHFFFAOYSA-N 0 0 323.440 4.317 20 10 DICDRN COc1ccc(Nc2ccc3c(c2)CCN3)c(C(F)(F)F)c1 ZINC001159522389 1047860850 /nfs/dbraw/zinc/86/08/50/1047860850.db2.gz JSWFHSIMAQAASL-UHFFFAOYSA-N 0 0 308.303 4.426 20 10 DICDRN CCOc1ccc(NCc2c(O)cc(C)cc2Cl)nc1C ZINC001183046382 1047879122 /nfs/dbraw/zinc/87/91/22/1047879122.db2.gz XGZAOQTZESDCEM-UHFFFAOYSA-N 0 0 306.793 4.068 20 10 DICDRN Cc1c2ccccc2n(C)c1CNc1ccnc2cc(F)cnc21 ZINC000553565981 1047880433 /nfs/dbraw/zinc/88/04/33/1047880433.db2.gz SWDAAEZNPFMUMI-UHFFFAOYSA-N 0 0 320.371 4.181 20 10 DICDRN O=C(NCc1cc(Cl)ccc1O)Nc1cccc(Cl)c1 ZINC001197876991 1047893275 /nfs/dbraw/zinc/89/32/75/1047893275.db2.gz PUPHOJJETCHKAR-UHFFFAOYSA-N 0 0 311.168 4.021 20 10 DICDRN COc1ccc2cc(Nc3ccc4c(c3)CCCN4)ccc2n1 ZINC001159660167 1047896120 /nfs/dbraw/zinc/89/61/20/1047896120.db2.gz ASBBQCKWGAHRRF-UHFFFAOYSA-N 0 0 305.381 4.345 20 10 DICDRN CCCOc1ccc(NCc2cc(C)cc(OC)c2O)cc1F ZINC001183155993 1047903693 /nfs/dbraw/zinc/90/36/93/1047903693.db2.gz LBWZQXUOAIYUGW-UHFFFAOYSA-N 0 0 319.376 4.249 20 10 DICDRN Nc1ccc(Cc2ccc(Nc3cnc(C4CC4)nc3)cc2)cc1 ZINC001174618209 1047908318 /nfs/dbraw/zinc/90/83/18/1047908318.db2.gz SHDNNXWBMKCEIG-UHFFFAOYSA-N 0 0 316.408 4.271 20 10 DICDRN Nc1ccc(Nc2cccc3cncc(Br)c32)cc1 ZINC001159723570 1047910700 /nfs/dbraw/zinc/91/07/00/1047910700.db2.gz VVWHEVBJRIGBJW-UHFFFAOYSA-N 0 0 314.186 4.323 20 10 DICDRN Oc1ccccc1CN1CC[C@@H](Cc2ccccc2)C(F)(F)C1 ZINC001203562252 1047911219 /nfs/dbraw/zinc/91/12/19/1047911219.db2.gz GFDBOASBZAGMMC-KRWDZBQOSA-N 0 0 317.379 4.092 20 10 DICDRN Nc1ccc(Cc2ccc(Nc3cc(F)ccc3O)cc2)cc1 ZINC001174627896 1047914237 /nfs/dbraw/zinc/91/42/37/1047914237.db2.gz ICRUAMZAPTXSJE-UHFFFAOYSA-N 0 0 308.356 4.448 20 10 DICDRN Nc1ccc(N(c2ccccc2)C2=CCC3(CC2)OCCO3)cc1 ZINC001174642665 1047918399 /nfs/dbraw/zinc/91/83/99/1047918399.db2.gz ACPZGTLRLJKKFG-UHFFFAOYSA-N 0 0 322.408 4.218 20 10 DICDRN Nc1ccc(N(Cc2ccccc2)c2cnc(C3CC3)nc2)cc1 ZINC001174617655 1047928987 /nfs/dbraw/zinc/92/89/87/1047928987.db2.gz IATMTXGSMNMHQM-UHFFFAOYSA-N 0 0 316.408 4.275 20 10 DICDRN CNc1ccc(Nc2ccc(C(=O)OC)c(C(F)(F)F)c2)cc1 ZINC001159829258 1047933405 /nfs/dbraw/zinc/93/34/05/1047933405.db2.gz QPXXTSGUBOKCRN-UHFFFAOYSA-N 0 0 324.302 4.277 20 10 DICDRN Oc1cccc(Nc2ccc(OCc3ccccc3)cc2)c1O ZINC001174688799 1047933632 /nfs/dbraw/zinc/93/36/32/1047933632.db2.gz KLXYYPAEUANBPO-UHFFFAOYSA-N 0 0 307.349 4.420 20 10 DICDRN COC(=O)c1c(F)ccc(Nc2ccc3c(c2)CCCN3)c1C ZINC001159840082 1047934495 /nfs/dbraw/zinc/93/44/95/1047934495.db2.gz DLYBIQRSPIZKAX-UHFFFAOYSA-N 0 0 314.360 4.022 20 10 DICDRN CC(=O)n1ccc2cc(Nc3ccc4c(c3)CCCN4)ccc21 ZINC001159933342 1047953788 /nfs/dbraw/zinc/95/37/88/1047953788.db2.gz WRONQPCDEHGFGH-UHFFFAOYSA-N 0 0 305.381 4.403 20 10 DICDRN Nc1ccc(Cc2ccc(Nc3ccc(O)c(F)c3)cc2)cc1 ZINC001174738260 1047958273 /nfs/dbraw/zinc/95/82/73/1047958273.db2.gz WFJAPRSGIHVXPW-UHFFFAOYSA-N 0 0 308.356 4.448 20 10 DICDRN Cc1ccc(CN[C@@H](c2cccc(Cl)c2)C(F)F)c(O)c1 ZINC001183813058 1047964892 /nfs/dbraw/zinc/96/48/92/1047964892.db2.gz UCHBBHBYFDLXRX-HNNXBMFYSA-N 0 0 311.759 4.450 20 10 DICDRN [O-]c1cc(Cl)ccc1C[NH2+]CCC1(c2ccccc2)CC1 ZINC001183887197 1047975982 /nfs/dbraw/zinc/97/59/82/1047975982.db2.gz XHOMLODKOMAEHZ-UHFFFAOYSA-N 0 0 301.817 4.257 20 10 DICDRN C[C@H](CCc1c[nH]c2ccccc12)[NH2+]Cc1c([O-])cccc1F ZINC001183920066 1047984969 /nfs/dbraw/zinc/98/49/69/1047984969.db2.gz UICBHXRDVLYNDP-CYBMUJFWSA-N 0 0 312.388 4.124 20 10 DICDRN C[C@@H]1CCc2nnc(NCc3cc4ccccc4cc3O)cc2C1 ZINC001160205939 1047995348 /nfs/dbraw/zinc/99/53/48/1047995348.db2.gz DFUIVYMDEFRXLU-CYBMUJFWSA-N 0 0 319.408 4.072 20 10 DICDRN Cc1nc(NCc2cc3ccccc3cc2O)cc(C(C)C)n1 ZINC001160205653 1047995688 /nfs/dbraw/zinc/99/56/88/1047995688.db2.gz FDFISMFTLJFEDQ-UHFFFAOYSA-N 0 0 307.397 4.379 20 10 DICDRN Oc1cc2ccccc2cc1CNc1cnc2ccccc2n1 ZINC001160206675 1047996000 /nfs/dbraw/zinc/99/60/00/1047996000.db2.gz OPHFQENBCFEMRY-UHFFFAOYSA-N 0 0 301.349 4.101 20 10 DICDRN C[C@H]1CCc2nnc(NCc3cc4ccccc4cc3O)cc2C1 ZINC001160205940 1047996219 /nfs/dbraw/zinc/99/62/19/1047996219.db2.gz DFUIVYMDEFRXLU-ZDUSSCGKSA-N 0 0 319.408 4.072 20 10 DICDRN CCc1c(Cl)ncnc1NCc1cc2ccccc2cc1O ZINC001160206994 1047997536 /nfs/dbraw/zinc/99/75/36/1047997536.db2.gz RBKNTNZFDKNDKD-UHFFFAOYSA-N 0 0 313.788 4.163 20 10 DICDRN COc1cnc(NCc2cc3ccccc3cc2O)c(Cl)c1 ZINC001160207916 1047998003 /nfs/dbraw/zinc/99/80/03/1047998003.db2.gz WEUZZNMIVUSYGI-UHFFFAOYSA-N 0 0 314.772 4.215 20 10 DICDRN CC(C)(C)OC(=O)c1ccc(F)c(Nc2ccc(N)cc2)c1 ZINC001160218403 1048000245 /nfs/dbraw/zinc/00/02/45/1048000245.db2.gz VASVDVIQBLGNSY-UHFFFAOYSA-N 0 0 302.349 4.107 20 10 DICDRN Clc1ncnc2ccc(Nc3ccc4c(c3)CCCN4)cc12 ZINC001160243437 1048009237 /nfs/dbraw/zinc/00/92/37/1048009237.db2.gz OCUCMUKXOVVZGN-UHFFFAOYSA-N 0 0 310.788 4.385 20 10 DICDRN CN(C)c1ccc(N(c2ccc(N)cc2)c2ccc(N)cc2)cc1 ZINC001174878305 1048012162 /nfs/dbraw/zinc/01/21/62/1048012162.db2.gz CFBBABXBOPRQSH-UHFFFAOYSA-N 0 0 318.424 4.387 20 10 DICDRN O=C(CCCC1CCCCC1)N1CCc2cccc(O)c2C1 ZINC001184223562 1048013958 /nfs/dbraw/zinc/01/39/58/1048013958.db2.gz JDLHIYBVKNQEBY-UHFFFAOYSA-N 0 0 301.430 4.028 20 10 DICDRN CC(C)(C)c1ccccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001174929347 1048013843 /nfs/dbraw/zinc/01/38/43/1048013843.db2.gz GJJXUUMHCGNJLH-LUAWRHEFSA-N 0 0 311.381 4.047 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CC(C)Nc1ccc(Nc2cc(Cl)ccc2C(N)=O)cc1 ZINC001201498288 1048286041 /nfs/dbraw/zinc/28/60/41/1048286041.db2.gz WPLDKAHEDWWHDT-UHFFFAOYSA-N 0 0 303.793 4.003 20 10 DICDRN COc1ccc2c(c1Nc1ccc(NC(C)C)cc1)C(=O)CC2 ZINC001201498925 1048286222 /nfs/dbraw/zinc/28/62/22/1048286222.db2.gz GZOJTTNRDBXKIV-UHFFFAOYSA-N 0 0 310.397 4.388 20 10 DICDRN COC(=O)c1ccc(F)c(Nc2ccc(NC(C)C)cc2)c1 ZINC001201498326 1048286813 /nfs/dbraw/zinc/28/68/13/1048286813.db2.gz YPOBZWZWRHWZQI-UHFFFAOYSA-N 0 0 302.349 4.176 20 10 DICDRN COC(=O)c1c(F)cccc1Nc1ccc(NC(C)C)cc1 ZINC001201498293 1048287398 /nfs/dbraw/zinc/28/73/98/1048287398.db2.gz WYPAXWREPXPBLV-UHFFFAOYSA-N 0 0 302.349 4.176 20 10 DICDRN CC(C)Nc1ccc(Nc2ccc3c(c2)CN(C)C(=O)N3)cc1 ZINC001201505104 1048289183 /nfs/dbraw/zinc/28/91/83/1048289183.db2.gz KSQYSTMLDLRZJX-UHFFFAOYSA-N 0 0 310.401 4.228 20 10 DICDRN CC(C)Nc1ccc(Nc2ccc3c(c2)C(=O)N(C2CC2)C3)cc1 ZINC001201504274 1048289901 /nfs/dbraw/zinc/28/99/01/1048289901.db2.gz DOHLZRQGXGEXDJ-UHFFFAOYSA-N 0 0 321.424 4.369 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4.131 20 10 DICDRN Nc1ccc(CNc2nccc3cc(F)c(Cl)cc32)cc1 ZINC001162791029 1048359738 /nfs/dbraw/zinc/35/97/38/1048359738.db2.gz YAPFSZBZUUQFRZ-UHFFFAOYSA-N 0 0 301.752 4.222 20 10 DICDRN CC[C@@H](C)c1nc(Cl)c(C)c(NCc2ccc(N)cc2)n1 ZINC001162789618 1048359970 /nfs/dbraw/zinc/35/99/70/1048359970.db2.gz JAFTYHJKPBEGPD-SNVBAGLBSA-N 0 0 304.825 4.146 20 10 DICDRN CCCC(C)(C)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001162801057 1048360883 /nfs/dbraw/zinc/36/08/83/1048360883.db2.gz TZBUPRPIEURSKI-UHFFFAOYSA-N 0 0 302.462 4.119 20 10 DICDRN O=C(c1ccccc1)c1ccccc1Nc1ccc(CO)cc1 ZINC001175564709 1048372278 /nfs/dbraw/zinc/37/22/78/1048372278.db2.gz CQPMJFRNEWYFJE-UHFFFAOYSA-N 0 0 303.361 4.154 20 10 DICDRN Nc1ccc(Cc2ccccc2Nc2ccc(CO)cc2)cc1 ZINC001175568371 1048373300 /nfs/dbraw/zinc/37/33/00/1048373300.db2.gz IBJJINGXFPVUML-UHFFFAOYSA-N 0 0 304.393 4.096 20 10 DICDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)Nc1ccccc1 ZINC001201964228 1048412580 /nfs/dbraw/zinc/41/25/80/1048412580.db2.gz MFVBXPPCVVSUSH-GOSISDBHSA-N 0 0 324.424 4.454 20 10 DICDRN Cc1cc(N[C@H](C)c2ccc(N(C)C)cc2)nc(C2CCC2)n1 ZINC001163099638 1048415183 /nfs/dbraw/zinc/41/51/83/1048415183.db2.gz MGCMBSCYRQQNLS-CQSZACIVSA-N 0 0 310.445 4.292 20 10 DICDRN C[C@H](Nc1nc2ccccc2nc1F)c1ccc(N(C)C)cc1 ZINC001163099201 1048415797 /nfs/dbraw/zinc/41/57/97/1048415797.db2.gz DSJAJIPPIIADQF-LBPRGKRZSA-N 0 0 310.376 4.008 20 10 DICDRN CC(C)CCN(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000776246205 1048462457 /nfs/dbraw/zinc/46/24/57/1048462457.db2.gz PXOBQRIJQWHEPE-OAHLLOKOSA-N 0 0 317.477 4.034 20 10 DICDRN CC(C)[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccc(F)cc1 ZINC001202157840 1048467301 /nfs/dbraw/zinc/46/73/01/1048467301.db2.gz FWKAJSFQKKQHQP-MRXNPFEDSA-N 0 0 309.331 4.296 20 10 DICDRN CC[C@@H]1CCCCCN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776248465 1048471651 /nfs/dbraw/zinc/47/16/51/1048471651.db2.gz JCQBQVYOXHDFML-DOTOQJQBSA-N 0 0 317.477 4.178 20 10 DICDRN CCc1cc(N[C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)ncn1 ZINC001163486153 1048477223 /nfs/dbraw/zinc/47/72/23/1048477223.db2.gz FANVJJWONJTKIO-GOSISDBHSA-N 0 0 311.429 4.097 20 10 DICDRN CCc1cnc(N[C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)nc1 ZINC001163486321 1048477246 /nfs/dbraw/zinc/47/72/46/1048477246.db2.gz HWEDXBHHKWLOLN-QGZVFWFLSA-N 0 0 311.429 4.097 20 10 DICDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2Nc1ncnc2c1CCC2 ZINC001163487332 1048477937 /nfs/dbraw/zinc/47/79/37/1048477937.db2.gz RZBRWCHTCFZPTD-SFHVURJKSA-N 0 0 323.440 4.023 20 10 DICDRN C[C@@H](CC(=O)N[C@@H](C)c1ccccc1O)c1ccc(F)cc1F ZINC000827973021 1048478159 /nfs/dbraw/zinc/47/81/59/1048478159.db2.gz GOZWZLRPVLKEKI-RYUDHWBXSA-N 0 0 319.351 4.041 20 10 DICDRN Cc1cc(N(C)C)ccc1C[C@H](C)Nc1ccnc(C(C)C)n1 ZINC001163524710 1048484013 /nfs/dbraw/zinc/48/40/13/1048484013.db2.gz XEDBSUPMSTVAKV-HNNXBMFYSA-N 0 0 312.461 4.018 20 10 DICDRN Cc1c(NCc2cc(Cl)cc(C)c2O)cnn1CC(C)C ZINC000776257072 1048488166 /nfs/dbraw/zinc/48/81/66/1048488166.db2.gz WJFZGXIZWHFCEP-UHFFFAOYSA-N 0 0 307.825 4.127 20 10 DICDRN O=C(c1ccccn1)c1cc(Cl)ccc1Nc1cscn1 ZINC001175944808 1048493086 /nfs/dbraw/zinc/49/30/86/1048493086.db2.gz NSVIGCOUZILVSS-UHFFFAOYSA-N 0 0 315.785 4.166 20 10 DICDRN CN(C)c1ccc(/C=C/CNc2ccc3scnc3c2)cc1 ZINC001202243476 1048503131 /nfs/dbraw/zinc/50/31/31/1048503131.db2.gz ZBSYWXKZWQCHAC-ONEGZZNKSA-N 0 0 309.438 4.488 20 10 DICDRN O=C(c1ccc(F)cc1)c1ccccc1Nc1cnn(C2CC2)c1 ZINC001175959266 1048506971 /nfs/dbraw/zinc/50/69/71/1048506971.db2.gz REQCJNQVELFVBS-UHFFFAOYSA-N 0 0 321.355 4.332 20 10 DICDRN Cn1c(-c2ccccc2)cnc1SC[C@H]1CCC(C)(C)CO1 ZINC001188401439 1048512149 /nfs/dbraw/zinc/51/21/49/1048512149.db2.gz WNUKYRFYITXXHH-OAHLLOKOSA-N 0 0 316.470 4.384 20 10 DICDRN CCC(CC)CCCN(C)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC001163817218 1048530064 /nfs/dbraw/zinc/53/00/64/1048530064.db2.gz FWQKMUNTXYSJMU-UHFFFAOYSA-N 0 0 324.421 4.265 20 10 DICDRN CCN(Cc1ccccc1O)C(=O)Nc1ccc(Cl)cc1 ZINC001202374211 1048534220 /nfs/dbraw/zinc/53/42/20/1048534220.db2.gz DEPJNESBLMEFOV-UHFFFAOYSA-N 0 0 304.777 4.100 20 10 DICDRN Cc1ccc(Cl)cc1NC(=O)N[C@@H](C)c1ccccc1O ZINC001188745596 1048553076 /nfs/dbraw/zinc/55/30/76/1048553076.db2.gz UGCRYVTUMSOFOZ-NSHDSACASA-N 0 0 304.777 4.237 20 10 DICDRN O=C(CSc1ncc(Cl)s1)C1(c2ccccc2)CC1 ZINC000850000093 1048609767 /nfs/dbraw/zinc/60/97/67/1048609767.db2.gz JEBAKBXLOUBGRJ-UHFFFAOYSA-N 0 0 309.843 4.190 20 10 DICDRN CCS[C@H](C)c1noc(CSc2ncc(Cl)s2)n1 ZINC000849999940 1048610090 /nfs/dbraw/zinc/61/00/90/1048610090.db2.gz DCTQPPBEUXGFPE-ZCFIWIBFSA-N 0 0 321.880 4.286 20 10 DICDRN [O-]c1c(Br)cccc1C[NH2+]CCC1=CCCCC1 ZINC000042411740 1048615926 /nfs/dbraw/zinc/61/59/26/1048615926.db2.gz VTWZXNNIGQKWOF-UHFFFAOYSA-N 0 0 310.235 4.135 20 10 DICDRN Cc1sc2ncnc(NCc3cccc(Cl)c3O)c2c1C ZINC001164343065 1048621918 /nfs/dbraw/zinc/62/19/18/1048621918.db2.gz XRUVWYHAPQUMND-UHFFFAOYSA-N 0 0 319.817 4.279 20 10 DICDRN COc1ccc(Nc2ccc(Cc3ccc(N)cc3)cc2)cc1O ZINC001176259814 1048624986 /nfs/dbraw/zinc/62/49/86/1048624986.db2.gz UOGZZOBSPSBHIW-UHFFFAOYSA-N 0 0 320.392 4.317 20 10 DICDRN COC(=O)c1cnc(S[C@@H](C)c2ccc(F)cc2F)s1 ZINC001189407740 1048625979 /nfs/dbraw/zinc/62/59/79/1048625979.db2.gz JSPKNPFSNRGEAZ-ZETCQYMHSA-N 0 0 315.366 4.061 20 10 DICDRN CN(c1ccc(N)cc1)c1cccc2c1cnn2[C@@H]1CCCCO1 ZINC001176324325 1048626372 /nfs/dbraw/zinc/62/63/72/1048626372.db2.gz USTDWTUPLAYLKN-IBGZPJMESA-N 0 0 322.412 4.086 20 10 DICDRN CC(C)(C)c1ccccc1NC(=O)N1CCc2cccc(O)c2C1 ZINC001189582361 1048643469 /nfs/dbraw/zinc/64/34/69/1048643469.db2.gz BAIZJAPAUIMTLY-UHFFFAOYSA-N 0 0 324.424 4.280 20 10 DICDRN COC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCCCC1 ZINC000775320705 1048665841 /nfs/dbraw/zinc/66/58/41/1048665841.db2.gz GUMUUQZEYAYTAV-UHFFFAOYSA-N 0 0 318.244 4.138 20 10 DICDRN Clc1cnc(SCc2noc(-c3ccccc3)n2)s1 ZINC001189833092 1048671775 /nfs/dbraw/zinc/67/17/75/1048671775.db2.gz UBMOWATZTXSLAU-UHFFFAOYSA-N 0 0 309.803 4.139 20 10 DICDRN COc1ccc(O)c([C@@H](C)Nc2cc(C)c(C)cc2OC)c1 ZINC000850500352 1048671618 /nfs/dbraw/zinc/67/16/18/1048671618.db2.gz CRSUQXYDXLNYHQ-CYBMUJFWSA-N 0 0 301.386 4.199 20 10 DICDRN CC[C@@H]([NH2+]CCc1cnccc1C)c1cccc(Cl)c1[O-] ZINC000850505031 1048673071 /nfs/dbraw/zinc/67/30/71/1048673071.db2.gz KPNAQRRJUIVCMC-MRXNPFEDSA-N 0 0 304.821 4.032 20 10 DICDRN C[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000850523545 1048677036 /nfs/dbraw/zinc/67/70/36/1048677036.db2.gz LBRJXQOJSFYDHF-VHSXEESVSA-N 0 0 316.228 4.061 20 10 DICDRN CC[C@H]([NH2+][C@H]1C[C@@H](O)c2ccccc21)c1cccc(Cl)c1[O-] ZINC000850525160 1048678975 /nfs/dbraw/zinc/67/89/75/1048678975.db2.gz HAJHHEVZDUFARX-YESZJQIVSA-N 0 0 317.816 4.265 20 10 DICDRN C[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000850525776 1048679292 /nfs/dbraw/zinc/67/92/92/1048679292.db2.gz QRXSERDNBGWHHI-VHSXEESVSA-N 0 0 316.228 4.061 20 10 DICDRN C[C@H]([NH2+]CCC(C)(C)F)c1cc(Br)c(F)cc1[O-] ZINC000850530955 1048682662 /nfs/dbraw/zinc/68/26/62/1048682662.db2.gz FRCJFUTXQGQROJ-QMMMGPOBSA-N 0 0 322.193 4.083 20 10 DICDRN CC[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1cccc(Cl)c1[O-] ZINC000850552590 1048688510 /nfs/dbraw/zinc/68/85/10/1048688510.db2.gz OCDRCLYATGSJEL-NEPJUHHUSA-N 0 0 303.780 4.378 20 10 DICDRN C[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000850536377 1048685621 /nfs/dbraw/zinc/68/56/21/1048685621.db2.gz JPDSWFCUTDFFCT-MADCSZMMSA-N 0 0 310.171 4.395 20 10 DICDRN C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000850536807 1048687385 /nfs/dbraw/zinc/68/73/85/1048687385.db2.gz NTKMBMXIMNVWFR-JMCQJSRRSA-N 0 0 310.171 4.395 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C1CCC(F)CC1 ZINC000850556845 1048691294 /nfs/dbraw/zinc/69/12/94/1048691294.db2.gz UASPLIYSORAPNX-QKEWWQLBSA-N 0 0 301.352 4.238 20 10 DICDRN Cc1c2ccccc2oc1C(=O)NCc1cc(Cl)ccc1O ZINC001165497214 1048692432 /nfs/dbraw/zinc/69/24/32/1048692432.db2.gz BSZMLRGQTPXJJD-UHFFFAOYSA-N 0 0 315.756 4.030 20 10 DICDRN COc1cc(N[C@@H]2CCc3cccc(O)c32)ccc1OC(F)F ZINC000850562629 1048693312 /nfs/dbraw/zinc/69/33/12/1048693312.db2.gz VLIBIDUOKRRRNZ-GFCCVEGCSA-N 0 0 321.323 4.102 20 10 DICDRN CCOc1ccc(CNc2ccc(Cl)cc2OC)c(O)c1 ZINC000775348664 1048696706 /nfs/dbraw/zinc/69/67/06/1048696706.db2.gz IDGBYBCAEDRQFF-UHFFFAOYSA-N 0 0 307.777 4.065 20 10 DICDRN C[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000850570468 1048698264 /nfs/dbraw/zinc/69/82/64/1048698264.db2.gz HLJJTJZHOSIUID-ZJUUUORDSA-N 0 0 318.244 4.165 20 10 DICDRN CC[C@H]([NH2+][C@H](c1ccccc1)[C@H](C)O)c1cccc(Cl)c1[O-] ZINC000850584861 1048701764 /nfs/dbraw/zinc/70/17/64/1048701764.db2.gz UDIBCVFPJUEMGB-ZLIFDBKOSA-N 0 0 319.832 4.208 20 10 DICDRN CCC[C@H](C(=O)NCc1ccc(N)cc1)c1ccc(Cl)cc1 ZINC000850711613 1048703904 /nfs/dbraw/zinc/70/39/04/1048703904.db2.gz PKLHELVSNLIXAQ-KRWDZBQOSA-N 0 0 316.832 4.122 20 10 DICDRN CCCCOc1ccc(Nc2cccc(O)c2O)c(F)c1F ZINC001176521573 1048705944 /nfs/dbraw/zinc/70/59/44/1048705944.db2.gz AMJCQTPCKCXUQW-UHFFFAOYSA-N 0 0 309.312 4.299 20 10 DICDRN Nc1ccc(NC(=O)N2CCC[C@H](C3CCCCC3)C2)cc1 ZINC000850751204 1048707190 /nfs/dbraw/zinc/70/71/90/1048707190.db2.gz WGORHHKNQKIXFC-HNNXBMFYSA-N 0 0 301.434 4.093 20 10 DICDRN O[C@H](CSc1ncc(Cl)s1)c1ccc(Cl)cc1 ZINC001166594076 1048768398 /nfs/dbraw/zinc/76/83/98/1048768398.db2.gz ATSTVQZBSHMMAX-SECBINFHSA-N 0 0 306.239 4.276 20 10 DICDRN Nc1ccc(N(CCO)c2ccc(C3CCCCC3)cc2)cc1 ZINC001176730387 1048774683 /nfs/dbraw/zinc/77/46/83/1048774683.db2.gz GBQNHVFWDJTIPC-UHFFFAOYSA-N 0 0 310.441 4.447 20 10 DICDRN Cc1ccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1C ZINC000775405980 1048776938 /nfs/dbraw/zinc/77/69/38/1048776938.db2.gz IBFFQBGIEQXFSB-HNNXBMFYSA-N 0 0 311.429 4.252 20 10 DICDRN Cc1cccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1C ZINC000775406400 1048780271 /nfs/dbraw/zinc/78/02/71/1048780271.db2.gz PRIDQQXRENGWKA-OAHLLOKOSA-N 0 0 311.429 4.252 20 10 DICDRN CN(C)c1ccc(N=Nc2cccc(C(=O)N3CC=CC3)c2)cc1 ZINC001190964467 1048809665 /nfs/dbraw/zinc/80/96/65/1048809665.db2.gz RAQBWMZINXMXNN-UHFFFAOYSA-N 0 0 320.396 4.180 20 10 DICDRN Cc1ccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000775427699 1048830591 /nfs/dbraw/zinc/83/05/91/1048830591.db2.gz HWCNKZBVUNWUOE-ZDUSSCGKSA-N 0 0 315.392 4.083 20 10 DICDRN Cc1ccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(F)c1 ZINC000775430653 1048837053 /nfs/dbraw/zinc/83/70/53/1048837053.db2.gz OYVPLCSNUXODPM-CYBMUJFWSA-N 0 0 315.392 4.083 20 10 DICDRN Cc1cccc(C)c1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775433128 1048840109 /nfs/dbraw/zinc/84/01/09/1048840109.db2.gz PQLZEGAALINCBN-HNNXBMFYSA-N 0 0 311.429 4.252 20 10 DICDRN CCc1cccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775432375 1048841667 /nfs/dbraw/zinc/84/16/67/1048841667.db2.gz BWJRQYYXFRYZEV-AWEZNQCLSA-N 0 0 311.429 4.198 20 10 DICDRN CCC(CC)CN(CC)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773627927 1048854296 /nfs/dbraw/zinc/85/42/96/1048854296.db2.gz ZVBOVCLYJLWMMA-HNNXBMFYSA-N 0 0 319.493 4.281 20 10 DICDRN CC(C)Oc1ccc(NCc2ccc(N(C)C)c(F)c2)cc1 ZINC001177391815 1048880794 /nfs/dbraw/zinc/88/07/94/1048880794.db2.gz USIRLGPEKNELQU-UHFFFAOYSA-N 0 0 302.393 4.291 20 10 DICDRN Nc1cccc2c1ccnc2NCc1ccc(N2CCCC2)cc1 ZINC000853159094 1048885597 /nfs/dbraw/zinc/88/55/97/1048885597.db2.gz AXGMLFSABBEFMT-UHFFFAOYSA-N 0 0 318.424 4.029 20 10 DICDRN CN(C)c1ccc(CN(C)Cc2c(F)cccc2Cl)cc1 ZINC001203410604 1048892030 /nfs/dbraw/zinc/89/20/30/1048892030.db2.gz KUFVKQLZEFBKIR-UHFFFAOYSA-N 0 0 306.812 4.177 20 10 DICDRN CCN(CC)c1ccc(CNc2cc(OC)ccc2OC)cc1 ZINC000008701804 1048901519 /nfs/dbraw/zinc/90/15/19/1048901519.db2.gz QQUFCGGUAVPXRS-UHFFFAOYSA-N 0 0 314.429 4.162 20 10 DICDRN CNc1ccc(N(c2ccc(N)cc2)c2ccc(OC)cc2)cn1 ZINC001203458333 1048905688 /nfs/dbraw/zinc/90/56/88/1048905688.db2.gz KSGLMWNWNAURIN-UHFFFAOYSA-N 0 0 320.396 4.184 20 10 DICDRN Cc1cc(F)ccc1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775450531 1048923508 /nfs/dbraw/zinc/92/35/08/1048923508.db2.gz OCSSGOIRSUTQHE-CYBMUJFWSA-N 0 0 315.392 4.083 20 10 DICDRN C[C@]1(F)CCCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203573730 1048933573 /nfs/dbraw/zinc/93/35/73/1048933573.db2.gz GKEDEVRTSVJBMQ-AWEZNQCLSA-N 0 0 306.208 4.413 20 10 DICDRN CCC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CCOCC1 ZINC001203586080 1048937941 /nfs/dbraw/zinc/93/79/41/1048937941.db2.gz KCHZLGGLGPQYMD-UHFFFAOYSA-N 0 0 318.244 4.090 20 10 DICDRN CC[C@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1cc(Cl)ccc1O ZINC000854227602 1048955374 /nfs/dbraw/zinc/95/53/74/1048955374.db2.gz WNVKORZBYCANPQ-IRXDYDNUSA-N 0 0 316.832 4.356 20 10 DICDRN CSc1ccccc1NCc1cc(F)c(N(C)C)cc1F ZINC001178012949 1048973560 /nfs/dbraw/zinc/97/35/60/1048973560.db2.gz LVOIREPPEOZYBO-UHFFFAOYSA-N 0 0 308.397 4.365 20 10 DICDRN Cn1cnc2cc(NCc3cccc(Cl)c3Cl)ccc21 ZINC001178037348 1048982496 /nfs/dbraw/zinc/98/24/96/1048982496.db2.gz FEGCMWZLYXNLKU-UHFFFAOYSA-N 0 0 306.196 4.492 20 10 DICDRN COc1ccc(F)cc1NCc1ccc(N2CCCCC2)cc1 ZINC001178195670 1048998457 /nfs/dbraw/zinc/99/84/57/1048998457.db2.gz FFKAALRBTAHODA-UHFFFAOYSA-N 0 0 314.404 4.437 20 10 DICDRN Cc1cc(NC(=O)N[C@H](C)c2ccccc2O)ccc1Cl ZINC001191778831 1048999313 /nfs/dbraw/zinc/99/93/13/1048999313.db2.gz DIXGLXIPRHQUTA-LLVKDONJSA-N 0 0 304.777 4.237 20 10 DICDRN CCN(C(=O)/C=C/c1scnc1C)c1ccc(Cl)cc1 ZINC000776762728 1049000762 /nfs/dbraw/zinc/00/07/62/1049000762.db2.gz UJKUOUXEIHCERR-CMDGGOBGSA-N 0 0 306.818 4.171 20 10 DICDRN CC[C@@H]([NH2+]CCN(CC)CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775483098 1049002341 /nfs/dbraw/zinc/00/23/41/1049002341.db2.gz KTLLYJGYSITDLM-CYBMUJFWSA-N 0 0 319.276 4.082 20 10 DICDRN CCN(C(=O)/C=C\c1scnc1C)c1cc(C)ccc1C ZINC000776771535 1049006020 /nfs/dbraw/zinc/00/60/20/1049006020.db2.gz JVFHOEQOYHBBDM-HJWRWDBZSA-N 0 0 300.427 4.135 20 10 DICDRN CCN(C(=O)/C=C/c1scnc1C)c1cccc(Cl)c1 ZINC000776771727 1049006034 /nfs/dbraw/zinc/00/60/34/1049006034.db2.gz KPMNSOUOGQQVNH-BQYQJAHWSA-N 0 0 306.818 4.171 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccc([C@@H](C)O)cc1)c1cc(Cl)ccc1O ZINC000775491031 1049011958 /nfs/dbraw/zinc/01/19/58/1049011958.db2.gz XYOUWOCMFCCPHP-SJKOYZFVSA-N 0 0 319.832 4.340 20 10 DICDRN CC[C@H]([NH2+]C[C@H]1CCCCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775488570 1049015282 /nfs/dbraw/zinc/01/52/82/1049015282.db2.gz 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1051429794 /nfs/dbraw/zinc/42/97/94/1051429794.db2.gz GWHVNELUPGGFQG-UHFFFAOYSA-N 0 0 321.804 4.454 20 10 DICDRN COc1ccc2cc(/C=C\C(=O)Nc3ccc(N)cc3)ccc2c1 ZINC000746478672 1051436141 /nfs/dbraw/zinc/43/61/41/1051436141.db2.gz NAWZYLIXAKPUHZ-JYOAFUTRSA-N 0 0 318.376 4.083 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H](C)CCC2(C)C)cc1 ZINC001129674106 1051490894 /nfs/dbraw/zinc/49/08/94/1051490894.db2.gz BFPFSOIYJSOJEU-MRXNPFEDSA-N 0 0 310.441 4.497 20 10 DICDRN CC(C)CN(C(=O)/C=C/c1cccnc1)c1ccccc1Cl ZINC001129810586 1051530928 /nfs/dbraw/zinc/53/09/28/1051530928.db2.gz VXGWKUCJBTYSHX-MDZDMXLPSA-N 0 0 314.816 4.437 20 10 DICDRN C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1CCc2cccc(O)c2C1 ZINC001172855301 1051540925 /nfs/dbraw/zinc/54/09/25/1051540925.db2.gz DVMYWVZWAWAIOB-LBPRGKRZSA-N 0 0 319.807 4.174 20 10 DICDRN CCc1cc(N(c2ccc(N)cc2)c2ccc(N)cc2)ccc1N ZINC001216040351 1051542885 /nfs/dbraw/zinc/54/28/85/1051542885.db2.gz DLINLTXUARVXKN-UHFFFAOYSA-N 0 0 318.424 4.465 20 10 DICDRN Cc1cc(C)cc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC001129974764 1051582908 /nfs/dbraw/zinc/58/29/08/1051582908.db2.gz RQVZMXYDDVTXSH-KRWDZBQOSA-N 0 0 324.468 4.039 20 10 DICDRN COc1ccc(N(CC(C)C)C(=O)/C=C/c2cnccc2C)cc1 ZINC001130017902 1051591522 /nfs/dbraw/zinc/59/15/22/1051591522.db2.gz CMTPTLLMAGZERO-BJMVGYQFSA-N 0 0 324.424 4.101 20 10 DICDRN COc1cc(CO)cc(N(c2ccccc2)c2ccc(N)cc2)c1 ZINC001216201481 1051626869 /nfs/dbraw/zinc/62/68/69/1051626869.db2.gz CVWJBKBWNKGUOL-UHFFFAOYSA-N 0 0 320.392 4.240 20 10 DICDRN Nc1ccc(N(c2ccccc2)c2ccc(CO)cc2F)cc1 ZINC001216273547 1051668735 /nfs/dbraw/zinc/66/87/35/1051668735.db2.gz AXBZUFOKEWCLFK-UHFFFAOYSA-N 0 0 308.356 4.370 20 10 DICDRN Nc1ccc(Cc2ccc(Nc3ccc(CO)cc3F)cc2)cc1 ZINC001216274463 1051669021 /nfs/dbraw/zinc/66/90/21/1051669021.db2.gz YPICESMTRWOESV-UHFFFAOYSA-N 0 0 322.383 4.235 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)Nc1cc(C)cc(F)c1 ZINC000152912370 1051688383 /nfs/dbraw/zinc/68/83/83/1051688383.db2.gz VWKMDLCPODGGTB-UHFFFAOYSA-N 0 0 316.376 4.284 20 10 DICDRN COc1c(O)cccc1N(c1ccccc1)c1ccc(N)cc1 ZINC001216352537 1051715868 /nfs/dbraw/zinc/71/58/68/1051715868.db2.gz QRKXTDBLNZPYSY-UHFFFAOYSA-N 0 0 306.365 4.453 20 10 DICDRN CC[C@@H]([NH2+]C[C@H](O)c1ccccc1C)c1cccc(Cl)c1[O-] ZINC000806138995 1051739622 /nfs/dbraw/zinc/73/96/22/1051739622.db2.gz GNNOKAYTHZKLLR-SJORKVTESA-N 0 0 319.832 4.128 20 10 DICDRN CC[C@@H]([NH2+]CCc1ccccc1OC)c1cccc(Cl)c1[O-] ZINC000806128105 1051740941 /nfs/dbraw/zinc/74/09/41/1051740941.db2.gz FWUJZYJHEREEBC-MRXNPFEDSA-N 0 0 319.832 4.338 20 10 DICDRN CCOCCC[NH2+][C@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806125476 1051742095 /nfs/dbraw/zinc/74/20/95/1051742095.db2.gz AHGYUOKPYPXTCE-CYBMUJFWSA-N 0 0 306.233 4.166 20 10 DICDRN CC[C@H]([NH2+]C[C@@H](CO)C(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806169640 1051743421 /nfs/dbraw/zinc/74/34/21/1051743421.db2.gz OPJNXTYLUIQRMY-HZMBPMFUSA-N 0 0 320.260 4.004 20 10 DICDRN CC[C@@H]([NH2+]CCOc1ccccc1)c1cccc(Cl)c1[O-] ZINC000806128405 1051744042 /nfs/dbraw/zinc/74/40/42/1051744042.db2.gz KKFLMPKSNNIWOL-MRXNPFEDSA-N 0 0 305.805 4.165 20 10 DICDRN CC[C@@H]([NH2+]CCCCOC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806131821 1051744264 /nfs/dbraw/zinc/74/42/64/1051744264.db2.gz NOSKAMGDKVEBNB-CYBMUJFWSA-N 0 0 306.233 4.166 20 10 DICDRN CC[C@H]([NH2+]CCN(C(C)C)C(C)C)c1cccc(Cl)c1[O-] ZINC000806129163 1051744739 /nfs/dbraw/zinc/74/47/39/1051744739.db2.gz SUPLKKTWOCINAM-INIZCTEOSA-N 0 0 312.885 4.205 20 10 DICDRN CC[C@@H](COC)[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806141716 1051750562 /nfs/dbraw/zinc/75/05/62/1051750562.db2.gz UZLGOYBLFYSTBM-GWCFXTLKSA-N 0 0 306.233 4.165 20 10 DICDRN CC[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1cccc(Cl)c1[O-] ZINC000806143400 1051752502 /nfs/dbraw/zinc/75/25/02/1051752502.db2.gz VGIASWXOTQQLEP-JWZBEHFJSA-N 0 0 323.864 4.290 20 10 DICDRN CC[C@@H]([NH2+]CC(CC)(CC)CCO)c1cccc(Cl)c1[O-] ZINC000806143606 1051753139 /nfs/dbraw/zinc/75/31/39/1051753139.db2.gz VXGRSQFUUXVEIR-OAHLLOKOSA-N 0 0 313.869 4.275 20 10 DICDRN CC[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1cccc(Cl)c1[O-] ZINC000806143401 1051753570 /nfs/dbraw/zinc/75/35/70/1051753570.db2.gz VGIASWXOTQQLEP-SDNTUTLCSA-N 0 0 323.864 4.290 20 10 DICDRN CC[C@H]([NH2+]CCC[C@H](C)CO)c1cc(Cl)cc(Cl)c1[O-] ZINC000806150649 1051754478 /nfs/dbraw/zinc/75/44/78/1051754478.db2.gz XFUOIHNFJCNHAC-HZMBPMFUSA-N 0 0 320.260 4.148 20 10 DICDRN CC[C@H]([NH2+]CCCCCCO)c1cc(Cl)cc(Cl)c1[O-] ZINC000806150290 1051755386 /nfs/dbraw/zinc/75/53/86/1051755386.db2.gz OYPMGBQONCQYOL-AWEZNQCLSA-N 0 0 320.260 4.292 20 10 DICDRN Clc1ccc(-n2ccc(CSc3nccs3)n2)cc1 ZINC000767099572 1051756081 /nfs/dbraw/zinc/75/60/81/1051756081.db2.gz HVVZAAPXSUZMOV-UHFFFAOYSA-N 0 0 307.831 4.275 20 10 DICDRN CC[C@H](Nc1cnn(CC2CC2)c1)c1cccc(Cl)c1O ZINC000806155415 1051758409 /nfs/dbraw/zinc/75/84/09/1051758409.db2.gz QSAZCBGNAQZGTK-HNNXBMFYSA-N 0 0 305.809 4.215 20 10 DICDRN CC[C@H]([NH2+]CC1(OC)CCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806158374 1051761629 /nfs/dbraw/zinc/76/16/29/1051761629.db2.gz LFNXJJITNYSGJC-ZDUSSCGKSA-N 0 0 318.244 4.309 20 10 DICDRN CC[C@H]([NH2+][C@H](CCOC)c1ccco1)c1cccc(Cl)c1[O-] ZINC000806157331 1051761685 /nfs/dbraw/zinc/76/16/85/1051761685.db2.gz DZHFDTWQOSZLLZ-LSDHHAIUSA-N 0 0 323.820 4.457 20 10 DICDRN CC[C@@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)c1cccc(Cl)c1[O-] ZINC000806158959 1051761772 /nfs/dbraw/zinc/76/17/72/1051761772.db2.gz VBRBVXOLKBZRGD-KGLIPLIRSA-N 0 0 311.853 4.432 20 10 DICDRN C[C@@H]([NH2+]C[C@@H]1CCCSC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000806180050 1051772545 /nfs/dbraw/zinc/77/25/45/1051772545.db2.gz YZRZFJXQDXEXBN-ZJUUUORDSA-N 0 0 320.285 4.493 20 10 DICDRN CC(C)Cn1ncc(N[C@@H](C)c2cc(F)ccc2O)c1C1CC1 ZINC000806180710 1051773138 /nfs/dbraw/zinc/77/31/38/1051773138.db2.gz HUMVJQNACHBTPD-LBPRGKRZSA-N 0 0 317.408 4.434 20 10 DICDRN Cc1nc(CCSc2ncc(-c3ccccc3)n2C)cs1 ZINC000767197616 1051774300 /nfs/dbraw/zinc/77/43/00/1051774300.db2.gz TXTCYZBXUVKTPG-UHFFFAOYSA-N 0 0 315.467 4.187 20 10 DICDRN CCCCOc1ccccc1/C=C1\SC(=S)N(CC)C1=O ZINC000767341060 1051790420 /nfs/dbraw/zinc/79/04/20/1051790420.db2.gz OXCJYRJNYCAGCB-KAMYIIQDSA-N 0 0 321.467 4.087 20 10 DICDRN Nc1ccc(OCCOc2ccc(Nc3ccccc3)cc2)cc1 ZINC001173794233 1051802234 /nfs/dbraw/zinc/80/22/34/1051802234.db2.gz GVRSKLPXPBJKBH-UHFFFAOYSA-N 0 0 320.392 4.470 20 10 DICDRN C[C@H](N[C@@H](C)C(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000806661127 1051836439 /nfs/dbraw/zinc/83/64/39/1051836439.db2.gz XYJRQIBKLWIMOE-RYUDHWBXSA-N 0 0 318.358 4.417 20 10 DICDRN CCN(C)c1ccc([C@@H](C)N[C@@H](C2CC2)C(F)(F)F)cc1 ZINC000806662224 1051842356 /nfs/dbraw/zinc/84/23/56/1051842356.db2.gz KQTGOIYDXYUPFE-ABAIWWIYSA-N 0 0 300.368 4.134 20 10 DICDRN CCCCCC[C@](C)(CC)C(=O)NCCc1ccc(O)c(O)c1 ZINC000767776697 1051848151 /nfs/dbraw/zinc/84/81/51/1051848151.db2.gz VZPNCRKIHIEOQV-IBGZPJMESA-N 0 0 321.461 4.143 20 10 DICDRN CC[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1cccc(Cl)c1[O-] ZINC000806143399 1051859830 /nfs/dbraw/zinc/85/98/30/1051859830.db2.gz VGIASWXOTQQLEP-GUDXXQAFSA-N 0 0 323.864 4.290 20 10 DICDRN CC(=O)c1cccc(Nc2ccccc2C(=O)c2ccncc2)c1 ZINC001173902593 1051867007 /nfs/dbraw/zinc/86/70/07/1051867007.db2.gz LWLNALADEWILCV-UHFFFAOYSA-N 0 0 316.360 4.259 20 10 DICDRN CCn1nccc1CN(Cc1ccccc1)c1ccc(OC)cc1 ZINC000768128988 1051886773 /nfs/dbraw/zinc/88/67/73/1051886773.db2.gz BEQPISAUTOMEDY-UHFFFAOYSA-N 0 0 321.424 4.118 20 10 DICDRN COc1ccc(Nc2ccccc2Cc2ccc(N)cc2)cn1 ZINC001173960112 1051895349 /nfs/dbraw/zinc/89/53/49/1051895349.db2.gz DAQGKXVEYNMEIL-UHFFFAOYSA-N 0 0 305.381 4.007 20 10 DICDRN Oc1ccc(Cl)cc1CN(Cc1ccco1)Cc1ccco1 ZINC000768193215 1051900655 /nfs/dbraw/zinc/90/06/55/1051900655.db2.gz WHHUVCJFLORRTJ-UHFFFAOYSA-N 0 0 317.772 4.434 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCCc2sccc21)c1cc(F)cc(F)c1[O-] ZINC000768278790 1051916912 /nfs/dbraw/zinc/91/69/12/1051916912.db2.gz PXNSYFPCFYHXOT-LKFCYVNXSA-N 0 0 309.381 4.460 20 10 DICDRN Oc1ccc(-c2nc(-c3ccccc3Cl)no2)c(Cl)c1O ZINC001216951731 1051917204 /nfs/dbraw/zinc/91/72/04/1051917204.db2.gz LASJDRNUBCRZHI-UHFFFAOYSA-N 0 0 323.135 4.122 20 10 DICDRN C[C@H]1CC[C@H](c2ccccc2)N(C(=O)C2=CC(=O)CS2)C1 ZINC000807692098 1051920670 /nfs/dbraw/zinc/92/06/70/1051920670.db2.gz BVXVVWOKVITKTB-SWLSCSKDSA-N 0 0 301.411 4.067 20 10 DICDRN Cc1ccc(C)n1-c1ccc(NCc2ccc(O)c(O)c2)cc1 ZINC001169993158 1051935735 /nfs/dbraw/zinc/93/57/35/1051935735.db2.gz OXQOMRDDPMKZBQ-UHFFFAOYSA-N 0 0 308.381 4.117 20 10 DICDRN COc1ccc(N(Cc2ccccc2)C[C@@H]2CCCOC2)cc1 ZINC000768543746 1051945002 /nfs/dbraw/zinc/94/50/02/1051945002.db2.gz HHPBYHBJXCUESQ-SFHVURJKSA-N 0 0 311.425 4.128 20 10 DICDRN CCCCOc1cc(F)ccc1NCc1ccc(O)c(O)c1 ZINC001169995189 1051963569 /nfs/dbraw/zinc/96/35/69/1051963569.db2.gz SNKKYZHEHUOIBL-UHFFFAOYSA-N 0 0 305.349 4.028 20 10 DICDRN CCc1cc(Br)cc(NCc2ccc(O)c(O)c2)c1 ZINC001169996725 1051969948 /nfs/dbraw/zinc/96/99/48/1051969948.db2.gz IEAMDOFXHUDKNN-UHFFFAOYSA-N 0 0 322.202 4.035 20 10 DICDRN Cc1ccc(F)c(-n2c(N)c(/N=N/c3ccccc3)ccc2=N)c1 ZINC001174110646 1051984841 /nfs/dbraw/zinc/98/48/41/1051984841.db2.gz LAGYRLGLUDVNPW-UKLSTIIHSA-N 0 0 321.359 4.402 20 10 DICDRN C[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@@H](c2ccccc2)O1 ZINC000769103803 1052001912 /nfs/dbraw/zinc/00/19/12/1052001912.db2.gz CEQJBKRXEYXPGW-ACJLOTCBSA-N 0 0 317.816 4.008 20 10 DICDRN CC1(CC(=O)NCc2ccc(N3CCCCC3)cc2)CCCC1 ZINC000808387041 1052016083 /nfs/dbraw/zinc/01/60/83/1052016083.db2.gz MDMVMJQIXQCJEB-UHFFFAOYSA-N 0 0 314.473 4.264 20 10 DICDRN C[C@H]1CCC[C@@H]1CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000769367116 1052032631 /nfs/dbraw/zinc/03/26/31/1052032631.db2.gz AYAZEMXFQZIPOQ-DOTOQJQBSA-N 0 0 314.473 4.070 20 10 DICDRN CN(c1ccc(N)cc1)c1cccc(C(=O)Nc2ccccc2)c1 ZINC001174206735 1052048874 /nfs/dbraw/zinc/04/88/74/1052048874.db2.gz DIPGDRZFPWTFOB-UHFFFAOYSA-N 0 0 317.392 4.289 20 10 DICDRN C[C@@H](NC(=O)C1=CC(=O)CS1)c1ccc(-c2cccnc2)cc1 ZINC000747516064 1052050815 /nfs/dbraw/zinc/05/08/15/1052050815.db2.gz XAPHLTUTVZASCS-GFCCVEGCSA-N 0 0 324.405 4.007 20 10 DICDRN C[C@H]1CN(Cc2cc(Cl)ccc2O)[C@@H](c2ccccc2)CO1 ZINC000769489168 1052053027 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KMOOQBPBNOKLPM-ZBFHGGJFSA-N 0 0 307.409 4.064 20 10 DICDRN Cc1cc(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)c(C)n1-c1ccccc1 ZINC001438305296 1054163821 /nfs/dbraw/zinc/16/38/21/1054163821.db2.gz TVDSNTUAQQIVJY-RTBURBONSA-N 0 0 324.468 4.393 20 10 DICDRN Cc1cc(CNC(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)c(C)n1-c1ccccc1 ZINC001438301587 1054164537 /nfs/dbraw/zinc/16/45/37/1054164537.db2.gz MSBUZRUHJFCHBW-BBLUDWJGSA-N 0 0 322.452 4.002 20 10 DICDRN CCC(C)(C)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001438313215 1054165618 /nfs/dbraw/zinc/16/56/18/1054165618.db2.gz NJRGLTSQMBZKHD-UHFFFAOYSA-N 0 0 312.457 4.455 20 10 DICDRN [O-]c1c(C[N@@H+]2CCCC[C@H]2c2ccccc2)ccc(F)c1F ZINC001233074369 1054179352 /nfs/dbraw/zinc/17/93/52/1054179352.db2.gz OQDXIYWJLKILFT-INIZCTEOSA-N 0 0 303.352 4.398 20 10 DICDRN Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001233076241 1054179423 /nfs/dbraw/zinc/17/94/23/1054179423.db2.gz MILWWAWPIIMPTR-INIZCTEOSA-N 0 0 303.352 4.316 20 10 DICDRN [O-]c1c(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)ccc(F)c1F ZINC001233077587 1054182218 /nfs/dbraw/zinc/18/22/18/1054182218.db2.gz TUQHRENGSVIWBH-HNNXBMFYSA-N 0 0 317.379 4.125 20 10 DICDRN C[N@H+](Cc1ccc(F)c(F)c1[O-])C(C)(C)Cc1ccccc1 ZINC001233078746 1054182577 /nfs/dbraw/zinc/18/25/77/1054182577.db2.gz IICRUWQUMSNHRE-UHFFFAOYSA-N 0 0 305.368 4.124 20 10 DICDRN [O-]c1c(F)c(F)ccc1C[N@@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC001233077385 1054182793 /nfs/dbraw/zinc/18/27/93/1054182793.db2.gz MINFBAKRHCLZDO-LLVKDONJSA-N 0 0 323.770 4.313 20 10 DICDRN COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001233077333 1054182927 /nfs/dbraw/zinc/18/29/27/1054182927.db2.gz JNJORFSLGOSHNI-OAHLLOKOSA-N 0 0 319.351 4.016 20 10 DICDRN Cc1cc(Br)cc(C[N@H+](C)Cc2ccccc2)c1O ZINC001233105883 1054186295 /nfs/dbraw/zinc/18/62/95/1054186295.db2.gz COSFEZQTYNPVIB-UHFFFAOYSA-N 0 0 320.230 4.095 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccc(N)cc1)c1ccccc1OC(F)F ZINC001336116082 1054232296 /nfs/dbraw/zinc/23/22/96/1054232296.db2.gz BHWAUGVGXIRVII-OAHLLOKOSA-N 0 0 306.356 4.111 20 10 DICDRN COc1cccc([C@H]2CCC[N@@H+]2Cc2c([O-])ccc(F)c2F)c1 ZINC001233335158 1054238486 /nfs/dbraw/zinc/23/84/86/1054238486.db2.gz JSAJPRNNPZIRKK-MRXNPFEDSA-N 0 0 319.351 4.016 20 10 DICDRN C[C@@H]1C[C@H](CC(=O)NCc2ccc(N(C)C)cc2)CC(C)(C)C1 ZINC001355879473 1054239233 /nfs/dbraw/zinc/23/92/33/1054239233.db2.gz XSYSFGAWOMWQGB-NVXWUHKLSA-N 0 0 316.489 4.221 20 10 DICDRN CC(C)=CCC[C@@H](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC001355879339 1054239292 /nfs/dbraw/zinc/23/92/92/1054239292.db2.gz WJUVPTBGFHYTQS-MRXNPFEDSA-N 0 0 302.462 4.141 20 10 DICDRN COc1ccc([C@@H]2CCC[N@@H+]2Cc2c([O-])ccc(F)c2F)cc1 ZINC001233334862 1054239876 /nfs/dbraw/zinc/23/98/76/1054239876.db2.gz XEJUWJBQACTLEJ-INIZCTEOSA-N 0 0 319.351 4.016 20 10 DICDRN C[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CCC1(F)F ZINC001233415680 1054265986 /nfs/dbraw/zinc/26/59/86/1054265986.db2.gz FQDDRWSPCKTIQU-JTQLQIEISA-N 0 0 323.305 4.278 20 10 DICDRN Cc1ccc(O)c2c1[C@@H](C)C[C@H]2Nc1cc2c(cc1C)OCO2 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CCc1ccc(N(CC2CC2)C(=O)/C=C/c2cncc(C)c2)cc1 ZINC001526464426 1060228822 /nfs/dbraw/zinc/22/88/22/1060228822.db2.gz JMTPLGRMNCBZIM-DHZHZOJOSA-N 0 0 320.436 4.409 20 10 DICDRN CCc1ccc(N(CC2CC2)C(=O)/C=C\c2cnccc2C)cc1 ZINC001526464130 1060229382 /nfs/dbraw/zinc/22/93/82/1060229382.db2.gz IFTIZASABHYNCA-FLIBITNWSA-N 0 0 320.436 4.409 20 10 DICDRN CCc1cccc(C)c1NC(=S)N[C@@H](C)c1ccccc1O ZINC001249573752 1060296221 /nfs/dbraw/zinc/29/62/21/1060296221.db2.gz FAVZJVSKYKNJRB-ZDUSSCGKSA-N 0 0 314.454 4.311 20 10 DICDRN Fc1cccc(C(F)(F)CNCc2ccc3c(c2)CCCO3)c1 ZINC001560526425 1060325466 /nfs/dbraw/zinc/32/54/66/1060325466.db2.gz PUGNGDZPZUHROL-UHFFFAOYSA-N 0 0 321.342 4.032 20 10 DICDRN CN(C)c1ccc(CN[C@@H]2c3ccccc3CC[C@H]2F)cc1F ZINC001560568238 1060379188 /nfs/dbraw/zinc/37/91/88/1060379188.db2.gz HCZLXUJVQPUPKF-VQIMIIECSA-N 0 0 316.395 4.007 20 10 DICDRN Cc1ccc2nc(NCc3ccc(N4CCCCC4)cc3)[nH]c2c1 ZINC001560569802 1060382297 /nfs/dbraw/zinc/38/22/97/1060382297.db2.gz JJAWFEYZXRGNHH-UHFFFAOYSA-N 0 0 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Cc1ccc2c(c1)N(Cc1ccc(Cl)cc1O)C[C@@H](C)O2 ZINC001560736330 1060603618 /nfs/dbraw/zinc/60/36/18/1060603618.db2.gz PFVBXRDNJINBEI-GFCCVEGCSA-N 0 0 303.789 4.142 20 10 DICDRN COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1cccc(F)c1[O-])[C@@H]2C ZINC001560745798 1060612846 /nfs/dbraw/zinc/61/28/46/1060612846.db2.gz AUMIRYTUPCFZPF-QWHCGFSZSA-N 0 0 315.388 4.048 20 10 DICDRN Cc1cccc([C@H]2CC[N@H+](Cc3c([O-])ccc(Cl)c3F)C2)c1 ZINC001560751278 1060617911 /nfs/dbraw/zinc/61/79/11/1060617911.db2.gz KUZZGFQINQZENI-AWEZNQCLSA-N 0 0 319.807 4.483 20 10 DICDRN C[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001560821189 1060679105 /nfs/dbraw/zinc/67/91/05/1060679105.db2.gz NSNWLVAIOFYPPT-SJCJKPOMSA-N 0 0 303.352 4.254 20 10 DICDRN [O-]c1cc(Cl)ccc1C[NH2+]C1(Cc2ccc(F)cc2)CC1 ZINC001560832593 1060691229 /nfs/dbraw/zinc/69/12/29/1060691229.db2.gz IBJITMQZAVSGTE-UHFFFAOYSA-N 0 0 305.780 4.050 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH+]1CC(c2ccc(Cl)cc2)C1 ZINC001560836761 1060693663 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ZINC001250321422 1060777505 /nfs/dbraw/zinc/77/75/05/1060777505.db2.gz RNADLYYZMGKGAT-UHFFFAOYSA-N 0 0 315.376 4.233 20 10 DICDRN Oc1ccc(-c2nc3ccc(-c4cccs4)cc3[nH]2)cc1O ZINC001250464844 1060822422 /nfs/dbraw/zinc/82/24/22/1060822422.db2.gz OBXUFMSTPRZAHT-UHFFFAOYSA-N 0 0 308.362 4.370 20 10 DICDRN CC[C@H](C)Oc1cccc(NCc2ccc(N(C)C)cc2C)n1 ZINC001560978949 1060843237 /nfs/dbraw/zinc/84/32/37/1060843237.db2.gz XZCJWEXEDKMCOD-HNNXBMFYSA-N 0 0 313.445 4.245 20 10 DICDRN CCn1c2ccc(F)cc2nc1-c1ccc(N2CCCC2)cc1 ZINC001250490209 1060845060 /nfs/dbraw/zinc/84/50/60/1060845060.db2.gz XUWRIBDQFRTFJK-UHFFFAOYSA-N 0 0 309.388 4.463 20 10 DICDRN CC(C)[C@H](Cc1ccccc1)[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001561008010 1060866496 /nfs/dbraw/zinc/86/64/96/1060866496.db2.gz MXJDQUMKXICNFJ-KRWDZBQOSA-N 0 0 305.368 4.027 20 10 DICDRN COc1ccc(N(C)CCCc2c(F)cccc2F)cc1F ZINC001473250489 1061027590 /nfs/dbraw/zinc/02/75/90/1061027590.db2.gz KAYDNGKRUYNRAY-UHFFFAOYSA-N 0 0 309.331 4.182 20 10 DICDRN CCOc1ccc(N(CC)C[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC001473261279 1061037181 /nfs/dbraw/zinc/03/71/81/1061037181.db2.gz HNQJXYHKEQDASH-GJZGRUSLSA-N 0 0 317.351 4.022 20 10 DICDRN CCOc1ccc(N(CC)Cc2ccc(-n3ccnc3)cc2)cc1 ZINC001473262084 1061038260 /nfs/dbraw/zinc/03/82/60/1061038260.db2.gz SMVHRJBJHABHHI-UHFFFAOYSA-N 0 0 321.424 4.298 20 10 DICDRN CCOc1ccc(N(CC)C[C@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC001473261278 1061038296 /nfs/dbraw/zinc/03/82/96/1061038296.db2.gz HNQJXYHKEQDASH-CABCVRRESA-N 0 0 317.351 4.022 20 10 DICDRN COc1ccc(N(CCOC2CCC2)Cc2ccccc2)cc1 ZINC001473265973 1061041086 /nfs/dbraw/zinc/04/10/86/1061041086.db2.gz OPTDHCLRIYPVEY-UHFFFAOYSA-N 0 0 311.425 4.271 20 10 DICDRN CN(C)c1cc(F)c(CN2CCCCc3ccccc32)cc1F ZINC001462232359 1061044537 /nfs/dbraw/zinc/04/45/37/1061044537.db2.gz GMUXILXFVBBQNR-UHFFFAOYSA-N 0 0 316.395 4.374 20 10 DICDRN COc1cc(C)c(CNc2cccc(-c3ncco3)c2C)c(O)c1 ZINC001462282955 1061076274 /nfs/dbraw/zinc/07/62/74/1061076274.db2.gz JAPVFOPNIWYLTK-UHFFFAOYSA-N 0 0 324.380 4.285 20 10 DICDRN Cc1c(Cl)cncc1NCc1c(O)ccc(Cl)c1F ZINC001462294344 1061085444 /nfs/dbraw/zinc/08/54/44/1061085444.db2.gz KLKOPSZREGIHSL-UHFFFAOYSA-N 0 0 301.148 4.154 20 10 DICDRN [O-]c1cc(Cl)ccc1C[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001462295901 1061086458 /nfs/dbraw/zinc/08/64/58/1061086458.db2.gz OVHBFXQIACKLQC-AWEZNQCLSA-N 0 0 301.817 4.255 20 10 DICDRN CC[C@H]1C[C@@H](CN2CCCCc3cc(OC)ccc32)CCO1 ZINC001462302577 1061091276 /nfs/dbraw/zinc/09/12/76/1061091276.db2.gz CRMSRLNDQHENHR-RDJZCZTQSA-N 0 0 303.446 4.043 20 10 DICDRN COc1ccc2c(c1)CCCCN2Cc1nccc2c1CCCC2 ZINC001462307751 1061097351 /nfs/dbraw/zinc/09/73/51/1061097351.db2.gz RXVXXDGCQHHVMU-UHFFFAOYSA-N 0 0 322.452 4.312 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cc2cnccc2o1 ZINC001462311990 1061099106 /nfs/dbraw/zinc/09/91/06/1061099106.db2.gz GLCNXRKBCMPMAW-UHFFFAOYSA-N 0 0 323.179 4.130 20 10 DICDRN Cc1cc(CN2CCC[C@H]2C(F)F)ccc1N1CCCCC1 ZINC001473351561 1061105145 /nfs/dbraw/zinc/10/51/45/1061105145.db2.gz 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1065719212 /nfs/dbraw/zinc/71/92/12/1065719212.db2.gz SVJJBIIPAXGMMC-UHFFFAOYSA-N 0 0 312.413 4.367 20 10 DICDRN COc1ccc(Cl)cc1NCc1c(O)ccc(Cl)c1F ZINC001308324223 1065912235 /nfs/dbraw/zinc/91/22/35/1065912235.db2.gz GDOLIXVDVRLOFS-UHFFFAOYSA-N 0 0 316.159 4.459 20 10 DICDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CC3CCC2CC3)c1 ZINC001308414441 1065973289 /nfs/dbraw/zinc/97/32/89/1065973289.db2.gz LMGIZFYWNZLGGP-KOHJWAIASA-N 0 0 324.262 4.131 20 10 DICDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H](C)CC(C)(C)C)c1 ZINC001308428319 1065981517 /nfs/dbraw/zinc/98/15/17/1065981517.db2.gz UERPWUOXGDWXHA-NSHDSACASA-N 0 0 314.267 4.377 20 10 DICDRN C[C@H]1C[N@H+](Cc2cc(F)c(F)cc2[O-])CC[C@@H]1c1ccccc1 ZINC001308564005 1066072767 /nfs/dbraw/zinc/07/27/67/1066072767.db2.gz CKHYIKJFBYVRQI-BBRMVZONSA-N 0 0 317.379 4.296 20 10 DICDRN C[C@H]1C[C@H](c2ccccc2F)[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001308572574 1066084121 /nfs/dbraw/zinc/08/41/21/1066084121.db2.gz HAKPCLMGDYKCNW-APPDUMDISA-N 0 0 321.342 4.393 20 10 DICDRN CCn1ccc(CN(Cc2ccccc2)c2ccc(OC)cc2)n1 ZINC001308635720 1066130343 /nfs/dbraw/zinc/13/03/43/1066130343.db2.gz WAQQMYDGLBHQNP-UHFFFAOYSA-N 0 0 321.424 4.118 20 10 DICDRN COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2O)o1 ZINC001308665299 1066144739 /nfs/dbraw/zinc/14/47/39/1066144739.db2.gz GUTDMUUTAWDRHV-OAHLLOKOSA-N 0 0 321.804 4.122 20 10 DICDRN COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2O)o1 ZINC001308665298 1066144982 /nfs/dbraw/zinc/14/49/82/1066144982.db2.gz GUTDMUUTAWDRHV-HNNXBMFYSA-N 0 0 321.804 4.122 20 10 DICDRN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccc2c(c1)CCCC2 ZINC001308666873 1066145631 /nfs/dbraw/zinc/14/56/31/1066145631.db2.gz BBLUTDCAHSMVFR-GFCCVEGCSA-N 0 0 317.379 4.400 20 10 DICDRN COc1cc(Cl)cc(CN(C)c2cccc(SC)c2)c1O ZINC001308669542 1066147051 /nfs/dbraw/zinc/14/70/51/1066147051.db2.gz KBDKOKUQKPXYJP-UHFFFAOYSA-N 0 0 323.845 4.413 20 10 DICDRN COc1ccc(N(C)Cc2cccc3c2NCCC3)cc1Cl ZINC001308675778 1066150528 /nfs/dbraw/zinc/15/05/28/1066150528.db2.gz AJGJVNGSQPYEDS-UHFFFAOYSA-N 0 0 316.832 4.343 20 10 DICDRN COc1ccc(N(C)Cc2ccc3c(c2)C[C@H](C)O3)cc1Cl ZINC001308675814 1066150641 /nfs/dbraw/zinc/15/06/41/1066150641.db2.gz BLMXXAHQPUOVNQ-LBPRGKRZSA-N 0 0 317.816 4.308 20 10 DICDRN COc1cc(CN(C)c2ccc(OC(C)C)cc2)ccc1F ZINC001308690040 1066182823 /nfs/dbraw/zinc/18/28/23/1066182823.db2.gz YSGFDOCGMQIZFX-UHFFFAOYSA-N 0 0 303.377 4.258 20 10 DICDRN CC(C)c1ccc(O)c(CN2C[C@H](C)Oc3c(F)cccc32)c1 ZINC001308695722 1066185082 /nfs/dbraw/zinc/18/50/82/1066185082.db2.gz HPXJVQXHOAGDLD-ZDUSSCGKSA-N 0 0 315.388 4.442 20 10 DICDRN COC1(CN(C)c2ccc(OCc3ccccc3)cc2)CCC1 ZINC001308697780 1066186010 /nfs/dbraw/zinc/18/60/10/1066186010.db2.gz VODSQTAPTCAWTC-UHFFFAOYSA-N 0 0 311.425 4.271 20 10 DICDRN CCOc1ccc(Cl)c(NCc2cc(OC)ccc2O)c1 ZINC001308774802 1066248035 /nfs/dbraw/zinc/24/80/35/1066248035.db2.gz KAWLBNDRBBBEPP-UHFFFAOYSA-N 0 0 307.777 4.065 20 10 DICDRN C[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])c1cccc(C2CC2)c1 ZINC001308784220 1066256803 /nfs/dbraw/zinc/25/68/03/1066256803.db2.gz HSYZHRUULDYJON-LLVKDONJSA-N 0 0 303.352 4.399 20 10 DICDRN CC(C)C1(c2ccccc2)C[NH+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001308824301 1066297618 /nfs/dbraw/zinc/29/76/18/1066297618.db2.gz FZYHJOUIOOXHAV-UHFFFAOYSA-N 0 0 317.379 4.080 20 10 DICDRN COc1ccc(N(C)Cc2ccc(OC(F)F)cc2F)cc1 ZINC001308848694 1066328391 /nfs/dbraw/zinc/32/83/91/1066328391.db2.gz ACZJWAGCQKCTGL-UHFFFAOYSA-N 0 0 311.303 4.072 20 10 DICDRN CC[C@H](CCc1ccccc1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC001308865503 1066347906 /nfs/dbraw/zinc/34/79/06/1066347906.db2.gz OZSGWYZQCHDLAV-OAHLLOKOSA-N 0 0 305.368 4.171 20 10 DICDRN Oc1c(CN[C@H]2c3ccccc3OC[C@@H]2F)ccc2ccccc21 ZINC001308936366 1066407334 /nfs/dbraw/zinc/40/73/34/1066407334.db2.gz FIYUOECCIVKHPB-HKUYNNGSSA-N 0 0 323.367 4.107 20 10 DICDRN C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1c([O-])cccc1F ZINC001308949260 1066414719 /nfs/dbraw/zinc/41/47/19/1066414719.db2.gz XJMPFUJXZZAQPN-JTQLQIEISA-N 0 0 311.759 4.045 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)CCCC(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756079717 1066465495 /nfs/dbraw/zinc/46/54/95/1066465495.db2.gz QZXISVSTJHYQGI-VHSXEESVSA-N 0 0 320.311 4.072 20 10 DICDRN Cc1ccc(O)c(CNC(=O)Nc2c(C)c(C)ccc2Cl)c1 ZINC001310691957 1066551809 /nfs/dbraw/zinc/55/18/09/1066551809.db2.gz OTNBWGFOXFSKOQ-UHFFFAOYSA-N 0 0 318.804 4.293 20 10 DICDRN CCCCC[C@@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001311376002 1066632013 /nfs/dbraw/zinc/63/20/13/1066632013.db2.gz SLRSXHCUFMJRBI-HUUCEWRRSA-N 0 0 305.466 4.082 20 10 DICDRN CC(C)CC[C@H]1CCC[C@@H]1NC(=O)N[C@H](C)c1ccccc1O ZINC001311859013 1066702156 /nfs/dbraw/zinc/70/21/56/1066702156.db2.gz FVFWQDBFZBEBFD-INMHGKMJSA-N 0 0 318.461 4.357 20 10 DICDRN C[C@@H]1CCCC[C@H]1CCNC(=O)NCc1cccc(Cl)c1O ZINC001311984644 1066723443 /nfs/dbraw/zinc/72/34/43/1066723443.db2.gz HKVWQQIOQWSJNH-OLZOCXBDSA-N 0 0 324.852 4.061 20 10 DICDRN CCOc1cccc(CNc2cccc(C(F)(F)F)c2)c1O ZINC000040477111 183075169 /nfs/dbraw/zinc/07/51/69/183075169.db2.gz AILMAWDTURSVLN-UHFFFAOYSA-N 0 0 311.303 4.422 20 10 DICDRN Fc1cc(Br)ccc1CSc1nccs1 ZINC000042374123 183261055 /nfs/dbraw/zinc/26/10/55/183261055.db2.gz NYCMGBRZAQQZPU-UHFFFAOYSA-N 0 0 304.209 4.337 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)c1ccccc1 ZINC000066687765 184424102 /nfs/dbraw/zinc/42/41/02/184424102.db2.gz IQABHVOKMGZJCP-HNNXBMFYSA-N 0 0 312.413 4.075 20 10 DICDRN Cc1nn(C)c(C)c1N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000272173771 130005065 /nfs/dbraw/zinc/00/50/65/130005065.db2.gz XCAPIKVYLDPGTF-AWEZNQCLSA-N 0 0 312.461 4.200 20 10 DICDRN C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273298296 130103339 /nfs/dbraw/zinc/10/33/39/130103339.db2.gz APEBNSRFRWOCFN-KZULUSFZSA-N 0 0 312.369 4.102 20 10 DICDRN Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273385064 130114271 /nfs/dbraw/zinc/11/42/71/130114271.db2.gz JIWCHIXQQICJNJ-CHWSQXEVSA-N 0 0 300.358 4.021 20 10 DICDRN Cc1ccc(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])cn1 ZINC000273428341 130120323 /nfs/dbraw/zinc/12/03/23/130120323.db2.gz UVGYDNDYQJJCEI-SNVBAGLBSA-N 0 0 311.212 4.253 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000273621884 130147137 /nfs/dbraw/zinc/14/71/37/130147137.db2.gz ZJHOKQNCNAYNQI-LRDDRELGSA-N 0 0 300.358 4.102 20 10 DICDRN C[C@@H]([NH2+][C@H]1CCCc2sccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000274344958 130228411 /nfs/dbraw/zinc/22/84/11/130228411.db2.gz DWYHMGFJOLRWIG-YGRLFVJLSA-N 0 0 318.398 4.090 20 10 DICDRN Cc1ccc([C@H](C)Nc2ccc3ccn(C)c(=O)c3c2)c(O)c1C ZINC000284349944 131072433 /nfs/dbraw/zinc/07/24/33/131072433.db2.gz MEKSLHOFNYXFMA-AWEZNQCLSA-N 0 0 322.408 4.034 20 10 DICDRN CC[C@@H](N[C@H](C)c1c(F)cncc1F)c1ccc(N(C)C)cc1 ZINC000285668899 131191629 /nfs/dbraw/zinc/19/16/29/131191629.db2.gz MVCLFWHAPCLWPM-SJKOYZFVSA-N 0 0 319.399 4.228 20 10 DICDRN CC[C@H](N[C@@H](C)c1c(F)cncc1F)c1ccc(N(C)C)cc1 ZINC000285668898 131191700 /nfs/dbraw/zinc/19/17/00/131191700.db2.gz MVCLFWHAPCLWPM-SJCJKPOMSA-N 0 0 319.399 4.228 20 10 DICDRN CC[C@H]([NH2+][C@H](C)C[C@@H](O)c1cccs1)c1ccc(F)cc1[O-] ZINC000286155380 131222166 /nfs/dbraw/zinc/22/21/66/131222166.db2.gz POUGCCZGFBYCIA-DIOULYMOSA-N 0 0 323.433 4.146 20 10 DICDRN CC[C@@H]([NH2+]C[C@H](C)c1nc(C)cs1)c1ccc(F)cc1[O-] ZINC000286277197 131228000 /nfs/dbraw/zinc/22/80/00/131228000.db2.gz VTMSDGDOCFQBLJ-IINYFYTJSA-N 0 0 308.422 4.141 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287261325 131272200 /nfs/dbraw/zinc/27/22/00/131272200.db2.gz AJSHGNMFPFPIRC-ISVAXAHUSA-N 0 0 314.216 4.224 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1ccc(F)cc1[O-] ZINC000287719603 131296817 /nfs/dbraw/zinc/29/68/17/131296817.db2.gz XXNGICWROQKERU-QGZVFWFLSA-N 0 0 314.404 4.046 20 10 DICDRN CCOC1CC(CC[NH2+][C@@H](CC)c2cccc(Cl)c2[O-])C1 ZINC000287735474 131297406 /nfs/dbraw/zinc/29/74/06/131297406.db2.gz PISUVNIUEUUASV-ZUEPYMLJSA-N 0 0 311.853 4.292 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287884617 131304787 /nfs/dbraw/zinc/30/47/87/131304787.db2.gz YPFLSHFWZVSFLU-RBZYPMLTSA-N 0 0 318.244 4.165 20 10 DICDRN Oc1cccc(Cl)c1CNc1ccc([C@H]2CCOC2)cc1 ZINC000293143471 131712287 /nfs/dbraw/zinc/71/22/87/131712287.db2.gz UJWTZZRIOFPRNF-ZDUSSCGKSA-N 0 0 303.789 4.162 20 10 DICDRN C[C@@H](NC(=O)N(C)Cc1ccccc1O)c1cccc(C2CC2)c1 ZINC000297590231 132023868 /nfs/dbraw/zinc/02/38/68/132023868.db2.gz MQVPSIUOJJRNRP-CQSZACIVSA-N 0 0 324.424 4.172 20 10 DICDRN COc1cccc(CNc2ncc(-c3ccccc3)s2)c1O ZINC000120606205 132148885 /nfs/dbraw/zinc/14/88/85/132148885.db2.gz PTSHJYULAFPUEU-UHFFFAOYSA-N 0 0 312.394 4.136 20 10 DICDRN FC(F)(F)c1cccc(NCCCSc2nccs2)n1 ZINC000301809514 132150898 /nfs/dbraw/zinc/15/08/98/132150898.db2.gz YZHJREKZUPOYFG-UHFFFAOYSA-N 0 0 319.377 4.151 20 10 DICDRN CCc1onc(C)c1NC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000089445490 332069197 /nfs/dbraw/zinc/06/91/97/332069197.db2.gz UZPYAFBBTRKYTJ-UHFFFAOYSA-N 0 0 323.396 4.205 20 10 DICDRN Cc1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c(C)c1 ZINC000133277077 332585787 /nfs/dbraw/zinc/58/57/87/332585787.db2.gz DHBJBCBBWBTZCU-UHFFFAOYSA-N 0 0 321.424 4.001 20 10 DICDRN c1csc(Sc2ncnc3sc4c(c32)CCCC4)n1 ZINC000048894102 334740487 /nfs/dbraw/zinc/74/04/87/334740487.db2.gz PLQMHJRZFHCVMB-UHFFFAOYSA-N 0 0 305.453 4.178 20 10 DICDRN COc1ccc2[nH]cc(C3=CCN(c4ncccc4F)CC3)c2c1 ZINC000346169175 335384774 /nfs/dbraw/zinc/38/47/74/335384774.db2.gz FCKLOSXIRQJYTQ-UHFFFAOYSA-N 0 0 323.371 4.004 20 10 DICDRN CC[C@H](Nc1cccc(N2CCCC2=O)c1)c1ccccc1O ZINC000192937531 336285259 /nfs/dbraw/zinc/28/52/59/336285259.db2.gz NJZQXCIATNPBGR-KRWDZBQOSA-N 0 0 310.397 4.082 20 10 DICDRN CC(=O)c1c(F)cccc1NCc1ccc(N(C)C)cc1C ZINC000301249428 336296675 /nfs/dbraw/zinc/29/66/75/336296675.db2.gz BOUJCEYLTYHGOA-UHFFFAOYSA-N 0 0 300.377 4.015 20 10 DICDRN Fc1cccc2c(NCCCSc3nccs3)ccnc12 ZINC000302662897 336363928 /nfs/dbraw/zinc/36/39/28/336363928.db2.gz IPAJTAAENUEWCK-UHFFFAOYSA-N 0 0 319.430 4.425 20 10 DICDRN Cc1ccc([C@@H]([NH2+]Cc2cccc(F)c2[O-])c2ccccn2)cc1 ZINC000369546696 336866782 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COCCn1c(C)c(C)c2cc(-c3nc(C(C)C)no3)ccc21 ZINC000761341204 1038280886 /nfs/dbraw/zinc/28/08/86/1038280886.db2.gz HEXBRWKFUPDSJA-UHFFFAOYSA-N 0 0 313.401 4.078 20 10 DICDRN C[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)c1ccc(F)c(F)c1[O-] ZINC000276933658 1038284660 /nfs/dbraw/zinc/28/46/60/1038284660.db2.gz OOIPJJWFVLZWLT-RKDXNWHRSA-N 0 0 313.294 4.360 20 10 DICDRN CN(C)c1ccc(CNC(=O)Nc2cccc(C(F)F)c2)cc1 ZINC000171392401 1038414901 /nfs/dbraw/zinc/41/49/01/1038414901.db2.gz GWGLXGHBKYTYSB-UHFFFAOYSA-N 0 0 319.355 4.012 20 10 DICDRN C[N@H+](Cc1cnc(-c2ccccc2)s1)Cc1ccccc1O ZINC000171937473 1038515010 /nfs/dbraw/zinc/51/50/10/1038515010.db2.gz GMMAWLJRHQGTNN-UHFFFAOYSA-N 0 0 310.422 4.148 20 10 DICDRN Cc1cc(C(=O)Nc2cn[nH]c2)c(C)n1-c1cccc(C(C)C)c1 ZINC000071969346 1038551768 /nfs/dbraw/zinc/55/17/68/1038551768.db2.gz UJCOZJBUNNLCQV-UHFFFAOYSA-N 0 0 322.412 4.193 20 10 DICDRN CC[C@@H]([NH2+]Cc1cccc(Br)c1[O-])c1ccccc1 ZINC000051627354 1038642837 /nfs/dbraw/zinc/64/28/37/1038642837.db2.gz 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CC[C@H](N[C@H](C)C(F)(F)F)c1ccc(C(F)(F)F)cc1O ZINC000810239465 1041355794 /nfs/dbraw/zinc/35/57/94/1041355794.db2.gz CNQDZXSKEBJFRQ-XCBNKYQSSA-N 0 0 315.257 4.403 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)[C@H](C)OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000810256949 1041357907 /nfs/dbraw/zinc/35/79/07/1041357907.db2.gz JCYZWZQPHUDHHK-VYUIOLGVSA-N 0 0 306.233 4.163 20 10 DICDRN CCC(CC)(OC)c1noc(-c2ccc(-n3cccc3)cc2)n1 ZINC000810338657 1041376142 /nfs/dbraw/zinc/37/61/42/1041376142.db2.gz FWSKRGXZZWBNPN-UHFFFAOYSA-N 0 0 311.385 4.189 20 10 DICDRN Oc1ccccc1CN1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000756146597 1041378491 /nfs/dbraw/zinc/37/84/91/1041378491.db2.gz KPFZWMOEYFAEFW-UHFFFAOYSA-N 0 0 312.800 4.016 20 10 DICDRN CCN(C(=O)/C=C\c1cccnc1)c1ccc2ccccc2c1 ZINC000747663514 1041469250 /nfs/dbraw/zinc/46/92/50/1041469250.db2.gz VMUSECCMQHVIJQ-XFXZXTDPSA-N 0 0 302.377 4.301 20 10 DICDRN C[C@@H](N[C@@H](C)c1c(F)cccc1F)c1ccc(N(C)C)cc1 ZINC000314546447 1041497366 /nfs/dbraw/zinc/49/73/66/1041497366.db2.gz JYFYZIKYKQDVBR-OLZOCXBDSA-N 0 0 304.384 4.443 20 10 DICDRN COc1ccccc1[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756356805 1041515330 /nfs/dbraw/zinc/51/53/30/1041515330.db2.gz ITAQFCKTSJFRNW-WDEREUQCSA-N 0 0 307.340 4.091 20 10 DICDRN CCCCc1ccc(NC(=S)NCc2cccc(F)n2)cc1 ZINC000747719653 1041524869 /nfs/dbraw/zinc/52/48/69/1041524869.db2.gz ACNNYMDCIDCFBY-UHFFFAOYSA-N 0 0 317.433 4.050 20 10 DICDRN CC(=O)c1c(F)cccc1NCc1c(O)ccc2c1CCCC2 ZINC000811808634 1041570177 /nfs/dbraw/zinc/57/01/77/1041570177.db2.gz MPGLCVDOWBGVTH-UHFFFAOYSA-N 0 0 313.372 4.225 20 10 DICDRN C[C@H](Nc1ccc2c(c1)nc(C1CC1)n2C)c1ccccc1O ZINC000183708476 1041587078 /nfs/dbraw/zinc/58/70/78/1041587078.db2.gz USABAZNRZIFWNG-LBPRGKRZSA-N 0 0 307.397 4.329 20 10 DICDRN CC(C)c1ccc(NC(=S)NNc2ccccc2F)cc1 ZINC000812475047 1041626257 /nfs/dbraw/zinc/62/62/57/1041626257.db2.gz QBQCWJZESSDLCB-UHFFFAOYSA-N 0 0 303.406 4.263 20 10 DICDRN Cc1ccc(O)c(CNc2ccc(N(C)C(C)C)c(F)c2)c1 ZINC000236691800 1041642947 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ZINC000190559206 1041715732 /nfs/dbraw/zinc/71/57/32/1041715732.db2.gz LCELBFIMFUDEIO-UHFFFAOYSA-N 0 0 316.445 4.203 20 10 DICDRN CSC(C)(C)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774199828 1041733625 /nfs/dbraw/zinc/73/36/25/1041733625.db2.gz DBHCXALRHVWSER-MRVPVSSYSA-N 0 0 308.274 4.491 20 10 DICDRN CCC(CC)N(CC)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000813854530 1041737207 /nfs/dbraw/zinc/73/72/07/1041737207.db2.gz AKIJGJYWKSBZPU-UHFFFAOYSA-N 0 0 313.445 4.140 20 10 DICDRN CCC(CC)[C@@H](O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756569855 1041742180 /nfs/dbraw/zinc/74/21/80/1041742180.db2.gz SJKLVUNQRZOZJW-RNCFNFMXSA-N 0 0 320.260 4.147 20 10 DICDRN O=C1/C(=C/c2cc3ccccc3o2)SC(=S)N1C1CCC1 ZINC000814185734 1041787292 /nfs/dbraw/zinc/78/72/92/1041787292.db2.gz OSCBBDDBADWVLF-ZROIWOOFSA-N 0 0 315.419 4.187 20 10 DICDRN O=C1/C(=C/c2coc3ccccc23)SC(=S)N1C1CCC1 ZINC000814185932 1041788400 /nfs/dbraw/zinc/78/84/00/1041788400.db2.gz REUKWDYMDHASPS-ZSOIEALJSA-N 0 0 315.419 4.187 20 10 DICDRN Cc1cc(/C=C2\SC(=S)N(C3CCC3)C2=O)ccc1Cl ZINC000814185416 1041788534 /nfs/dbraw/zinc/78/85/34/1041788534.db2.gz GNKHZFUMKHJEPN-JYRVWZFOSA-N 0 0 323.870 4.402 20 10 DICDRN COc1ccc(O)c([C@@H](C)NC(=O)CCCCCC(C)C)c1 ZINC000747934705 1041810129 /nfs/dbraw/zinc/81/01/29/1041810129.db2.gz OFWRRSBVFZUVKP-CQSZACIVSA-N 0 0 307.434 4.185 20 10 DICDRN O=C1/C(=C/c2ccccc2F)SC(=S)N1c1ccccc1 ZINC000003030793 1041824494 /nfs/dbraw/zinc/82/44/94/1041824494.db2.gz QNHPBANPDIIYFW-UVTDQMKNSA-N 0 0 315.394 4.232 20 10 DICDRN C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756646117 1041831236 /nfs/dbraw/zinc/83/12/36/1041831236.db2.gz KQHPFUZRABOTRG-VWYCJHECSA-N 0 0 318.244 4.165 20 10 DICDRN C[C@@H](NC(=O)Nc1ccc(N)cc1)c1ccc2c(c1)CCCC2 ZINC000217313576 1041898238 /nfs/dbraw/zinc/89/82/38/1041898238.db2.gz DHJLYTDKFLLVKG-CYBMUJFWSA-N 0 0 309.413 4.030 20 10 DICDRN CCOc1ccc(N(C)C[C@@H](O)c2cc3ccccc3o2)cc1 ZINC000815052617 1041906021 /nfs/dbraw/zinc/90/60/21/1041906021.db2.gz VFWGRTQUCIKDJP-QGZVFWFLSA-N 0 0 311.381 4.001 20 10 DICDRN C[C@@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])c1ccccn1 ZINC000815552520 1041962001 /nfs/dbraw/zinc/96/20/01/1041962001.db2.gz DGDZCFVIAWNNBU-GHMZBOCLSA-N 0 0 310.319 4.218 20 10 DICDRN CS[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000815584177 1041967390 /nfs/dbraw/zinc/96/73/90/1041967390.db2.gz XNHDJOUMFSZFCB-GARJFASQSA-N 0 0 319.392 4.346 20 10 DICDRN C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1cccc(C2CC2)c1 ZINC000815573185 1041972421 /nfs/dbraw/zinc/97/24/21/1041972421.db2.gz ATNCKFHDVPQWIY-LBPRGKRZSA-N 0 0 312.369 4.029 20 10 DICDRN C[C@H](N[C@@H]1CCCC1(F)F)c1cccc(C(F)(F)F)c1O ZINC000815626614 1041977601 /nfs/dbraw/zinc/97/76/01/1041977601.db2.gz IJPHWXRRYUVXTA-GZMMTYOYSA-N 0 0 309.278 4.249 20 10 DICDRN C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1[O-] ZINC000815632589 1041978475 /nfs/dbraw/zinc/97/84/75/1041978475.db2.gz RQTVETUSAWJWLQ-AXAPSJFSSA-N 0 0 303.352 4.267 20 10 DICDRN C[C@H]([NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(F)cc1[O-] ZINC000815632590 1041978645 /nfs/dbraw/zinc/97/86/45/1041978645.db2.gz RQTVETUSAWJWLQ-RBOXIYTFSA-N 0 0 303.352 4.267 20 10 DICDRN COc1cc(N[C@@H](C)c2cc(F)cc(F)c2O)cc(OC)c1C ZINC000815631078 1041978668 /nfs/dbraw/zinc/97/86/68/1041978668.db2.gz LOIXDYRJWIONHM-JTQLQIEISA-N 0 0 323.339 4.169 20 10 DICDRN COc1cc(N[C@@H](C)c2ccc(C)cc2O)cc(OC)c1C ZINC000815631191 1041978724 /nfs/dbraw/zinc/97/87/24/1041978724.db2.gz RTPXMECQCQXSIC-ZDUSSCGKSA-N 0 0 301.386 4.199 20 10 DICDRN Cc1cc(C)c([C@H](C)Nc2ccn(CCC(C)C)n2)c(O)c1 ZINC000815608014 1041979805 /nfs/dbraw/zinc/97/98/05/1041979805.db2.gz ONOLFFVNPWERPZ-HNNXBMFYSA-N 0 0 301.434 4.425 20 10 DICDRN C[C@@H]([NH2+][C@H]1CCC(F)(F)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815607903 1041980416 /nfs/dbraw/zinc/98/04/16/1041980416.db2.gz LKGSZPDCSSGBBL-BDAKNGLRSA-N 0 0 309.278 4.249 20 10 DICDRN COC1(CC[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])CCC1 ZINC000815642050 1041982633 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C[C@H]([NH2+]CCc1nccs1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185248299 1043197863 /nfs/dbraw/zinc/19/78/63/1043197863.db2.gz WTQKFFHDKHMSRH-QMMMGPOBSA-N 0 0 317.241 4.049 20 10 DICDRN COCc1cc(N[C@@H](C)c2ccc(N(C)C)cc2)ccc1OC ZINC000866497225 1043210383 /nfs/dbraw/zinc/21/03/83/1043210383.db2.gz IAVKYXZUFXZHBR-AWEZNQCLSA-N 0 0 314.429 4.081 20 10 DICDRN CC[C@H](Nc1ccc(OC)c(COC)c1)c1ccccc1O ZINC000866498946 1043210660 /nfs/dbraw/zinc/21/06/60/1043210660.db2.gz GXWYXKIXMUFZPN-INIZCTEOSA-N 0 0 301.386 4.110 20 10 DICDRN C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000186075788 1043212544 /nfs/dbraw/zinc/21/25/44/1043212544.db2.gz OQMACQMWJOZNKM-NXEZZACHSA-N 0 0 320.260 4.147 20 10 DICDRN CC[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000866512544 1043215595 /nfs/dbraw/zinc/21/55/95/1043215595.db2.gz MDNXTFNXMMYRSV-XOKHGSTOSA-N 0 0 323.864 4.292 20 10 DICDRN COc1ccc(N[C@@H](C)c2cc(Cl)ccc2O)cc1OC ZINC000186247906 1043218735 /nfs/dbraw/zinc/21/87/35/1043218735.db2.gz 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C[C@H](Nc1ccc2c(c1)OC(C)(C)O2)c1ccc(N(C)C)cc1 ZINC000320127681 1043492677 /nfs/dbraw/zinc/49/26/77/1043492677.db2.gz YTIPWMHXVUOIRX-ZDUSSCGKSA-N 0 0 312.413 4.433 20 10 DICDRN CCCOc1ccc(CNCc2oc(CCC)nc2C)cc1C ZINC000873127224 1043515490 /nfs/dbraw/zinc/51/54/90/1043515490.db2.gz JSEQECSVDTXVOZ-UHFFFAOYSA-N 0 0 316.445 4.323 20 10 DICDRN Cc1ccc(Br)c(NCc2cccc(C)c2O)c1 ZINC000124637837 1043558935 /nfs/dbraw/zinc/55/89/35/1043558935.db2.gz RKEVVRZDMASZRA-UHFFFAOYSA-N 0 0 306.203 4.384 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000124758742 1043564468 /nfs/dbraw/zinc/56/44/68/1043564468.db2.gz ITVUNQVMSGFVKZ-UHFFFAOYSA-N 0 0 300.160 4.128 20 10 DICDRN Cc1cc(O)c(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)cc1Cl ZINC000825710430 1043567297 /nfs/dbraw/zinc/56/72/97/1043567297.db2.gz POCIVSVNXRABBI-JTQLQIEISA-N 0 0 307.743 4.128 20 10 DICDRN Nc1ccc(CC(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000020185850 1043566588 /nfs/dbraw/zinc/56/65/88/1043566588.db2.gz PPFPEOOIGLSYCX-UHFFFAOYSA-N 0 0 318.376 4.242 20 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REGGZBFSDWHGGK-JTQLQIEISA-N 0 0 306.818 4.042 20 10 DICDRN [O-]c1c(F)c(F)ccc1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000876973146 1043727892 /nfs/dbraw/zinc/72/78/92/1043727892.db2.gz BNFSSJCAPGJQNH-CQSZACIVSA-N 0 0 309.743 4.101 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccc(F)cc1F ZINC000877049076 1043737071 /nfs/dbraw/zinc/73/70/71/1043737071.db2.gz APOLZSUEIMKVIX-AWEZNQCLSA-N 0 0 313.294 4.190 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1cc(F)ccc1F ZINC000877054736 1043740132 /nfs/dbraw/zinc/74/01/32/1043740132.db2.gz KKBDOFPXYOWXSE-AWEZNQCLSA-N 0 0 313.294 4.190 20 10 DICDRN C[C@H](Nc1ccc2oc(N(C)C)nc2c1)c1ccc(N(C)C)cc1 ZINC000777693663 1043761124 /nfs/dbraw/zinc/76/11/24/1043761124.db2.gz CDCQRSNXKZCLRT-ZDUSSCGKSA-N 0 0 324.428 4.133 20 10 DICDRN C[C@H]([NH2+]Cc1ccccc1O)c1ccc(OC(F)(F)F)cc1 ZINC000191725860 1043775095 /nfs/dbraw/zinc/77/50/95/1043775095.db2.gz RVQCHQQYLNVXHM-NSHDSACASA-N 0 0 311.303 4.142 20 10 DICDRN [O-]c1c(F)c(F)ccc1C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000877660772 1043785669 /nfs/dbraw/zinc/78/56/69/1043785669.db2.gz QRWJHVALUYVBJT-AWEZNQCLSA-N 0 0 309.743 4.101 20 10 DICDRN CC(C)(C)OC1CCC([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000877684393 1043790807 /nfs/dbraw/zinc/79/08/07/1043790807.db2.gz SQCQASLAOCBEGN-UHFFFAOYSA-N 0 0 311.853 4.262 20 10 DICDRN Cc1cc(N(C)C)ccc1CN[C@@H](CF)c1ccc(F)cc1 ZINC000877758714 1043795426 /nfs/dbraw/zinc/79/54/26/1043795426.db2.gz LOLLEPCTBHNXAX-SFHVURJKSA-N 0 0 304.384 4.001 20 10 DICDRN C[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000777818369 1043838914 /nfs/dbraw/zinc/83/89/14/1043838914.db2.gz HFCZMBIHLLBISF-LLVKDONJSA-N 0 0 310.224 4.420 20 10 DICDRN Cc1ccc(/C=C/C(=O)N(C)c2ccc(C)c(Cl)c2)cn1 ZINC000777863315 1043863862 /nfs/dbraw/zinc/86/38/62/1043863862.db2.gz YHUXTLKRCMBCNJ-VQHVLOKHSA-N 0 0 300.789 4.028 20 10 DICDRN Cc1cc(C(=O)CSc2nccs2)c(Cl)cc1F ZINC000127427756 1043930906 /nfs/dbraw/zinc/93/09/06/1043930906.db2.gz MHLTZSVPZKKBJC-UHFFFAOYSA-N 0 0 301.795 4.219 20 10 DICDRN COC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1cccc(Cl)c1 ZINC000290256181 1043933311 /nfs/dbraw/zinc/93/33/11/1043933311.db2.gz KFEGKHRKQAMRKE-ZBEGNZNMSA-N 0 0 323.795 4.223 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccsc1C ZINC000880406403 1044039892 /nfs/dbraw/zinc/03/98/92/1044039892.db2.gz HJKQPWKLGMORBO-UHFFFAOYSA-N 0 0 304.415 4.206 20 10 DICDRN CCc1nc(C)c(C[NH2+][C@H](CC)c2cccc(Cl)c2[O-])o1 ZINC000291921472 1044115694 /nfs/dbraw/zinc/11/56/94/1044115694.db2.gz NVRNXOPNDFZFFC-CYBMUJFWSA-N 0 0 308.809 4.145 20 10 DICDRN Cc1ccc(C)c(NC(=O)NCCCSc2nccs2)c1 ZINC000129784165 1044178517 /nfs/dbraw/zinc/17/85/17/1044178517.db2.gz VRIKHCASFGJUAS-UHFFFAOYSA-N 0 0 321.471 4.064 20 10 DICDRN CC(C)OCc1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC000882919859 1044205438 /nfs/dbraw/zinc/20/54/38/1044205438.db2.gz UKVZJWPRQUQHSN-UHFFFAOYSA-N 0 0 307.340 4.208 20 10 DICDRN [O-]c1c(F)cc(F)cc1C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000883016991 1044214349 /nfs/dbraw/zinc/21/43/49/1044214349.db2.gz UCXGLWBWMAJDNX-UHFFFAOYSA-N 0 0 309.743 4.103 20 10 DICDRN COc1cc(NCc2cc(F)cc(F)c2O)ccc1OC(C)C ZINC000883089181 1044221183 /nfs/dbraw/zinc/22/11/83/1044221183.db2.gz CBASKPYKEZTSRB-UHFFFAOYSA-N 0 0 323.339 4.078 20 10 DICDRN CSc1ccccc1[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883112122 1044223613 /nfs/dbraw/zinc/22/36/13/1044223613.db2.gz AGWFMGKFTTVSOC-SNVBAGLBSA-N 0 0 309.381 4.243 20 10 DICDRN CC[C@@H]([NH2+]C[C@H]1C[C@H](OC)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000883272693 1044258095 /nfs/dbraw/zinc/25/80/95/1044258095.db2.gz UATXLEAREBMODQ-GLXFQSAKSA-N 0 0 318.244 4.165 20 10 DICDRN CCC(=O)N(C)c1ccc(N[C@H](C)c2cc(C)ccc2O)cc1 ZINC000883314861 1044267184 /nfs/dbraw/zinc/26/71/84/1044267184.db2.gz RAPZJWNJBLIXJH-CQSZACIVSA-N 0 0 312.413 4.247 20 10 DICDRN COc1ccc(N[C@@H](C)c2ccc(F)cc2O)cc1SC ZINC000840775083 1044272666 /nfs/dbraw/zinc/27/26/66/1044272666.db2.gz RNOJEESELHOCEY-JTQLQIEISA-N 0 0 307.390 4.435 20 10 DICDRN CC[C@H]([NH2+][C@@H](CC)[C@H]1CCCOC1)c1cccc(Cl)c1[O-] ZINC000883352674 1044280330 /nfs/dbraw/zinc/28/03/30/1044280330.db2.gz GHDSRGFBMITIKL-RCBQFDQVSA-N 0 0 311.853 4.292 20 10 DICDRN Cc1ccc2c(c1)SCCCN2C(=O)/C=C/c1cncc(C)c1 ZINC000778272897 1044284060 /nfs/dbraw/zinc/28/40/60/1044284060.db2.gz HWXTWVXSLFOKQI-FNORWQNLSA-N 0 0 324.449 4.241 20 10 DICDRN COC1CCC([NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000840793351 1044301833 /nfs/dbraw/zinc/30/18/33/1044301833.db2.gz XWPNTROPAXHYBW-WHXUTIOJSA-N 0 0 318.244 4.307 20 10 DICDRN Oc1c(Cl)cccc1CNc1ccc([C@@H]2CCOC2)cc1 ZINC000293621700 1044307078 /nfs/dbraw/zinc/30/70/78/1044307078.db2.gz KUPTVHOQPYQTEA-CQSZACIVSA-N 0 0 303.789 4.162 20 10 DICDRN CCNC(=O)c1ccc(C)c(N[C@@H](CC)c2ccccc2O)c1 ZINC000192826662 1044321914 /nfs/dbraw/zinc/32/19/14/1044321914.db2.gz JPKJDEIYIQZPSF-INIZCTEOSA-N 0 0 312.413 4.014 20 10 DICDRN C[C@@H](NC(=O)c1ccsc1C(F)F)c1ccc(N(C)C)cc1 ZINC000935465828 1044334619 /nfs/dbraw/zinc/33/46/19/1044334619.db2.gz UDGVUWJDQYYBBM-SNVBAGLBSA-N 0 0 324.396 4.243 20 10 DICDRN CC[C@H]([NH2+]Cc1cc(F)ccc1F)c1ccc(N(C)C)cc1 ZINC000133040771 1044351460 /nfs/dbraw/zinc/35/14/60/1044351460.db2.gz YMGKAKYRYLPFTB-SFHVURJKSA-N 0 0 304.384 4.272 20 10 DICDRN CN(C/C=C/c1ccccc1[N+](=O)[O-])c1ccc2cc[nH]c2c1 ZINC000475327711 1044361034 /nfs/dbraw/zinc/36/10/34/1044361034.db2.gz FHADAHHSCYEIBQ-GQCTYLIASA-N 0 0 307.353 4.226 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000840859083 1044393554 /nfs/dbraw/zinc/39/35/54/1044393554.db2.gz HBNFACNWVBQLQO-HLTSFMKQSA-N 0 0 306.258 4.244 20 10 DICDRN CC[C@@H](Nc1cccc(NC(=O)C2CC2)c1)c1ccccc1O ZINC000192906105 1044401051 /nfs/dbraw/zinc/40/10/51/1044401051.db2.gz CHIZURHTCPARDS-QGZVFWFLSA-N 0 0 310.397 4.304 20 10 DICDRN COc1ccc(O)c([C@H](C)Nc2ccc(OC(F)F)cc2)c1 ZINC000192908645 1044401054 /nfs/dbraw/zinc/40/10/54/1044401054.db2.gz SZYBRSGPSLWJKD-JTQLQIEISA-N 0 0 309.312 4.175 20 10 DICDRN C/C=C(/C)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000800048998 1044407588 /nfs/dbraw/zinc/40/75/88/1044407588.db2.gz KACKAFJFFPSVEY-PCGBIVOZSA-N 0 0 320.864 4.159 20 10 DICDRN COc1ccc([C@H](C)[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000294377278 1044413464 /nfs/dbraw/zinc/41/34/64/1044413464.db2.gz UPMJKSXUJCVFJW-JTQLQIEISA-N 0 0 309.768 4.044 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])[C@@H](O)C(C)C ZINC000840881206 1044436418 /nfs/dbraw/zinc/43/64/18/1044436418.db2.gz GGLMOSHPNPAYOL-WFBYXXMGSA-N 0 0 320.260 4.145 20 10 DICDRN CC(/C=C1/SC(N2CCCCC2)=NC1=O)=C/c1ccccc1 ZINC000302796444 1044443292 /nfs/dbraw/zinc/44/32/92/1044443292.db2.gz BXJQTRGYJMVRQM-BCNCFIKKSA-N 0 0 312.438 4.089 20 10 DICDRN COc1ccc(O)c([C@H](C)Nc2ccc(N(C)C)c(Cl)c2)c1 ZINC000314718110 1044458032 /nfs/dbraw/zinc/45/80/32/1044458032.db2.gz OUSOYBPLFYLXEL-NSHDSACASA-N 0 0 320.820 4.293 20 10 DICDRN O=C(C1=CC(=O)CS1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000778516645 1044472190 /nfs/dbraw/zinc/47/21/90/1044472190.db2.gz GFXDATPDJNFKNW-LBPRGKRZSA-N 0 0 319.401 4.003 20 10 DICDRN O=C(N[C@@H](CC1CCC1)c1ccccc1)C1=CC(=O)CS1 ZINC000778519145 1044474839 /nfs/dbraw/zinc/47/48/39/1044474839.db2.gz SVDMAWDAZISEPG-HNNXBMFYSA-N 0 0 301.411 4.115 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(C)cc1F ZINC000118791935 1044485152 /nfs/dbraw/zinc/48/51/52/1044485152.db2.gz VSQHLYMCOJQCER-UHFFFAOYSA-N 0 0 316.376 4.284 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(F)cc1C ZINC000118794472 1044486031 /nfs/dbraw/zinc/48/60/31/1044486031.db2.gz PQAPLSONUVGPOX-UHFFFAOYSA-N 0 0 316.376 4.284 20 10 DICDRN CC(C)(C)OCc1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000885619024 1044578992 /nfs/dbraw/zinc/57/89/92/1044578992.db2.gz CDRRMCMQDNTDSY-UHFFFAOYSA-N 0 0 305.399 4.021 20 10 DICDRN C[C@H](NC(=O)Nc1ccc(-c2ccc[nH]2)cc1)c1ccccc1O ZINC001202733384 1044586990 /nfs/dbraw/zinc/58/69/90/1044586990.db2.gz LTMVJJPONRYQTL-ZDUSSCGKSA-N 0 0 321.380 4.270 20 10 DICDRN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1ncc(Cl)s1 ZINC000719442300 1044610590 /nfs/dbraw/zinc/61/05/90/1044610590.db2.gz SHECLDQYSDRBBR-ZJUUUORDSA-N 0 0 308.834 4.149 20 10 DICDRN COc1cc(NCc2cc(C)ccc2O)cc(OC)c1C(C)C ZINC000778647353 1044630642 /nfs/dbraw/zinc/63/06/42/1044630642.db2.gz RTWPQBZAISTVRE-UHFFFAOYSA-N 0 0 315.413 4.453 20 10 DICDRN CCCOCc1ccccc1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886506164 1044650677 /nfs/dbraw/zinc/65/06/77/1044650677.db2.gz FEQAKPMHSUKKCG-CQSZACIVSA-N 0 0 317.404 4.309 20 10 DICDRN Cc1ccc(NC(=O)C(C)C)cc1N[C@@H]1CCc2cccc(O)c21 ZINC000296897516 1044651400 /nfs/dbraw/zinc/65/14/00/1044651400.db2.gz OUXAPJKCJTWYLU-MRXNPFEDSA-N 0 0 324.424 4.395 20 10 DICDRN C[C@H]([NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1)c1c([O-])cccc1F ZINC000886517460 1044652916 /nfs/dbraw/zinc/65/29/16/1044652916.db2.gz DTXDWZRXKCZPRW-IXDGSTSKSA-N 0 0 315.388 4.102 20 10 DICDRN CCOc1cccc([C@@H](C)[NH2+][C@@H](C)c2c([O-])cccc2F)c1 ZINC000886517656 1044653163 /nfs/dbraw/zinc/65/31/63/1044653163.db2.gz LTAHQIOOBYPMBG-OLZOCXBDSA-N 0 0 303.377 4.342 20 10 DICDRN CC(C)c1nc(CC[NH2+][C@H](C)c2c([O-])cccc2F)cs1 ZINC000886520388 1044654572 /nfs/dbraw/zinc/65/45/72/1044654572.db2.gz CVMQEFYIJUUJJR-LLVKDONJSA-N 0 0 308.422 4.005 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)c1c([O-])cccc1F ZINC000886551537 1044658653 /nfs/dbraw/zinc/65/86/53/1044658653.db2.gz JSPTWNLVHFFQDH-UONOGXRCSA-N 0 0 307.409 4.064 20 10 DICDRN CCc1cccc(NC(=S)NNc2ccc(Cl)cc2)c1 ZINC000007350395 1044659911 /nfs/dbraw/zinc/65/99/11/1044659911.db2.gz MWDWSZHIVUYCQI-UHFFFAOYSA-N 0 0 305.834 4.216 20 10 DICDRN Cc1ccc(C)c(NNC(=S)Nc2ccc(C)c(F)c2)c1 ZINC000007373265 1044661093 /nfs/dbraw/zinc/66/10/93/1044661093.db2.gz MGDUAKSTPKWQEM-UHFFFAOYSA-N 0 0 303.406 4.064 20 10 DICDRN CCOc1cc(N[C@H](C)c2c(O)cccc2F)ccc1OC ZINC000886566408 1044661318 /nfs/dbraw/zinc/66/13/18/1044661318.db2.gz PTVSHEZUHGPHAM-LLVKDONJSA-N 0 0 305.349 4.112 20 10 DICDRN COCCCOc1ccccc1N[C@H](C)c1c(O)cccc1F ZINC000886584703 1044664768 /nfs/dbraw/zinc/66/47/68/1044664768.db2.gz UMMJLTPKTMCVKU-CYBMUJFWSA-N 0 0 319.376 4.120 20 10 DICDRN COCCCOc1ccccc1N[C@@H](C)c1c(O)cccc1F ZINC000886584704 1044664972 /nfs/dbraw/zinc/66/49/72/1044664972.db2.gz UMMJLTPKTMCVKU-ZDUSSCGKSA-N 0 0 319.376 4.120 20 10 DICDRN Cc1nc2c(s1)[C@@H]([NH2+][C@H](C)c1c([O-])cccc1F)CCC2 ZINC000886588267 1044666574 /nfs/dbraw/zinc/66/65/74/1044666574.db2.gz OAAAVEIJIGHZKQ-SKDRFNHKSA-N 0 0 306.406 4.024 20 10 DICDRN Cc1nc2c(s1)[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)CCC2 ZINC000886588265 1044666743 /nfs/dbraw/zinc/66/67/43/1044666743.db2.gz OAAAVEIJIGHZKQ-CABZTGNLSA-N 0 0 306.406 4.024 20 10 DICDRN C[C@@H]([NH2+]Cc1cnccc1C(C)(C)C)c1c([O-])cccc1F ZINC000886625162 1044670504 /nfs/dbraw/zinc/67/05/04/1044670504.db2.gz KEGZYRXWHSAZBT-GFCCVEGCSA-N 0 0 302.393 4.075 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCCN(C)c2ccccc21)c1c([O-])cccc1F ZINC000886621996 1044670591 /nfs/dbraw/zinc/67/05/91/1044670591.db2.gz HSLBJONYKPPEOE-XJKSGUPXSA-N 0 0 314.404 4.153 20 10 DICDRN COc1ccc(C2CC2)cc1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886650549 1044674582 /nfs/dbraw/zinc/67/45/82/1044674582.db2.gz YSWJDCRFDQDZOT-GFCCVEGCSA-N 0 0 315.388 4.268 20 10 DICDRN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)N1CCC(O)CC1 ZINC000298374212 1044682862 /nfs/dbraw/zinc/68/28/62/1044682862.db2.gz ADAGLDSBLFYICS-QZQOTICOSA-N 0 0 324.384 4.091 20 10 DICDRN CN(Cc1ccccc1O)C(=O)CCCc1ccc(Cl)cc1 ZINC000077258430 1044695662 /nfs/dbraw/zinc/69/56/62/1044695662.db2.gz UCDAFOJRETZPNN-UHFFFAOYSA-N 0 0 317.816 4.027 20 10 DICDRN CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(Cl)cc(Cl)c1[O-] ZINC000367896820 1044757417 /nfs/dbraw/zinc/75/74/17/1044757417.db2.gz PFHYVQJNQSTWKN-JXJLXUTGSA-N 0 0 316.228 4.060 20 10 DICDRN Cc1ccc(O)c(CNc2nnc(C[C@H](C)CC(C)(C)C)o2)c1 ZINC000777516197 1045165991 /nfs/dbraw/zinc/16/59/91/1045165991.db2.gz RTQXWSJAIXSIAC-ZDUSSCGKSA-N 0 0 317.433 4.311 20 10 DICDRN Oc1cccc(Cl)c1CNc1ccc(SC(F)F)nc1 ZINC000777522154 1045167220 /nfs/dbraw/zinc/16/72/20/1045167220.db2.gz YOKQRFYERMGBTE-UHFFFAOYSA-N 0 0 316.760 4.367 20 10 DICDRN Cc1ccc(N2C(=O)/C(=C/c3ccsc3)SC2=S)cc1 ZINC000048392346 1045203937 /nfs/dbraw/zinc/20/39/37/1045203937.db2.gz CMJCBHIDAFDOGV-JYRVWZFOSA-N 0 0 317.460 4.462 20 10 DICDRN Oc1ccc(F)cc1C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000779094696 1045269153 /nfs/dbraw/zinc/26/91/53/1045269153.db2.gz RMTYKIRZMVRSPK-INIZCTEOSA-N 0 0 313.372 4.067 20 10 DICDRN O=C(CSc1nccs1)Nc1c(Cl)cccc1Cl ZINC000048874758 1045283601 /nfs/dbraw/zinc/28/36/01/1045283601.db2.gz HQJCBJSQEPXDRC-UHFFFAOYSA-N 0 0 319.238 4.181 20 10 DICDRN C[C@H]1CCc2c(sc3ncnc(Sc4nccs4)c23)C1 ZINC000048894106 1045286099 /nfs/dbraw/zinc/28/60/99/1045286099.db2.gz CMPHMFPICKGFLY-QMMMGPOBSA-N 0 0 319.480 4.424 20 10 DICDRN Cc1ncccc1C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000527985737 1045294288 /nfs/dbraw/zinc/29/42/88/1045294288.db2.gz IKDVYVASXZOMOR-SNVBAGLBSA-N 0 0 311.212 4.253 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000529643152 1045505659 /nfs/dbraw/zinc/50/56/59/1045505659.db2.gz JKTDVKJUZAQLKU-MRXNPFEDSA-N 0 0 320.795 4.211 20 10 DICDRN COc1ccc(CNc2ccc(C(C)C)cc2)c(O)c1OC ZINC001119938569 1045528962 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COCC1(C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])CCC1 ZINC000800494171 1045632044 /nfs/dbraw/zinc/63/20/44/1045632044.db2.gz UAZBBSOKNAJCKW-SNVBAGLBSA-N 0 0 318.244 4.166 20 10 DICDRN COc1cc(NCc2cc(Cl)cc(C)c2O)c(C)c(OC)c1 ZINC000800531202 1045639759 /nfs/dbraw/zinc/63/97/59/1045639759.db2.gz YCXCLBMUVBFKHG-UHFFFAOYSA-N 0 0 321.804 4.292 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C)CC(C)C)cc1 ZINC000752213902 1045665389 /nfs/dbraw/zinc/66/53/89/1045665389.db2.gz RLDXDYNAHALGCR-INIZCTEOSA-N 0 0 319.493 4.109 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H](C)[C@@H]1C ZINC000752474167 1045681061 /nfs/dbraw/zinc/68/10/61/1045681061.db2.gz QMEBMFVOIQKJAK-RISCZKNCSA-N 0 0 302.443 4.026 20 10 DICDRN CCSc1ccccc1C(=O)N1CCS[C@H]2CCCC[C@H]21 ZINC000752486012 1045682701 /nfs/dbraw/zinc/68/27/01/1045682701.db2.gz BSNBUHGPAHROIS-ZBFHGGJFSA-N 0 0 321.511 4.299 20 10 DICDRN CCSc1ccccc1C(=O)N1CCS[C@@H]2CCCC[C@H]21 ZINC000752486009 1045682882 /nfs/dbraw/zinc/68/28/82/1045682882.db2.gz BSNBUHGPAHROIS-GDBMZVCRSA-N 0 0 321.511 4.299 20 10 DICDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2CCCCC2(C)C)c1 ZINC000752622699 1045692702 /nfs/dbraw/zinc/69/27/02/1045692702.db2.gz XAIGRKMSNSFVCG-KBPBESRZSA-N 0 0 319.445 4.185 20 10 DICDRN CC(C)C[C@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000752689593 1045696454 /nfs/dbraw/zinc/69/64/54/1045696454.db2.gz UDMDWPFWIFFSPT-INIZCTEOSA-N 0 0 319.493 4.107 20 10 DICDRN CO[C@@H](c1ccccc1F)[C@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000779432612 1045717345 /nfs/dbraw/zinc/71/73/45/1045717345.db2.gz XEKNXUHZKCRHIT-APPDUMDISA-N 0 0 323.795 4.051 20 10 DICDRN CN(C)c1ccc(CNC(=O)C2CC(C)(C)CC(C)(C)C2)cc1 ZINC001124553508 1045720244 /nfs/dbraw/zinc/72/02/44/1045720244.db2.gz PPIPEQUTUIORFY-UHFFFAOYSA-N 0 0 316.489 4.221 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@@H](C)C1 ZINC000801545890 1045735177 /nfs/dbraw/zinc/73/51/77/1045735177.db2.gz FTQJQRVCWBXGQA-CVEARBPZSA-N 0 0 303.446 4.347 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1ccoc1CCC ZINC000801547929 1045735395 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1045737440 /nfs/dbraw/zinc/73/74/40/1045737440.db2.gz YNHLLFBQJBYCAH-VQIMIIECSA-N 0 0 303.446 4.203 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)/C=C1/CC[C@@H](C)C1 ZINC000801551006 1045738028 /nfs/dbraw/zinc/73/80/28/1045738028.db2.gz GUCZJDPLLAJILQ-NWCRWOLESA-N 0 0 301.430 4.267 20 10 DICDRN CS[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])C(C)(C)C ZINC000753567905 1045763868 /nfs/dbraw/zinc/76/38/68/1045763868.db2.gz DNCABHQRGFEFHJ-LBPRGKRZSA-N 0 0 305.846 4.052 20 10 DICDRN CC(C)CC(C)(C)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001149102414 1045764679 /nfs/dbraw/zinc/76/46/79/1045764679.db2.gz VJNSBIPATIPTGR-UHFFFAOYSA-N 0 0 321.442 4.115 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)/C=C1/CC[C@H](C)C1 ZINC000753580278 1045766177 /nfs/dbraw/zinc/76/61/77/1045766177.db2.gz CMKDXQFICYGFSS-CQUHBBLWSA-N 0 0 314.473 4.236 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)C(C)=C2CCCC2)cc1 ZINC000753581673 1045767926 /nfs/dbraw/zinc/76/79/26/1045767926.db2.gz ZWOGIFMJNGVDDL-UHFFFAOYSA-N 0 0 314.473 4.382 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)CC1(C)CCCCC1 ZINC000753652907 1045785535 /nfs/dbraw/zinc/78/55/35/1045785535.db2.gz XNIAWOQPZAKYSV-UHFFFAOYSA-N 0 0 303.446 4.491 20 10 DICDRN CC(C)c1ccc2c(c1)[C@H](NC(=O)NCc1ccccc1O)CC2 ZINC000779549744 1045813084 /nfs/dbraw/zinc/81/30/84/1045813084.db2.gz AOBUWZZOPXAEOA-GOSISDBHSA-N 0 0 324.424 4.002 20 10 DICDRN O=C(Nc1cccc(CCC(F)(F)F)c1)C1=CC(=O)CS1 ZINC000754023359 1045834240 /nfs/dbraw/zinc/83/42/40/1045834240.db2.gz CXGPNPNRMFJWQB-UHFFFAOYSA-N 0 0 315.316 4.201 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCC(C)=C(C)C2)cc1 ZINC001125166783 1045865699 /nfs/dbraw/zinc/86/56/99/1045865699.db2.gz OQYMYLVWDFGWMF-SFHVURJKSA-N 0 0 314.473 4.286 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)[C@H](C)CC ZINC000802025579 1045876654 /nfs/dbraw/zinc/87/66/54/1045876654.db2.gz CERTZFKQACMUNF-CABCVRRESA-N 0 0 306.450 4.139 20 10 DICDRN C[C@H](CCC(C)(C)C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000754348098 1045877573 /nfs/dbraw/zinc/87/75/73/1045877573.db2.gz PCKYJALCTSRIRS-OAHLLOKOSA-N 0 0 304.478 4.173 20 10 DICDRN Cc1cc(CN2CCC[C@H]2c2ncc[nH]2)ccc1N1CCCCC1 ZINC000828603599 1045919176 /nfs/dbraw/zinc/91/91/76/1045919176.db2.gz GJRDOIOLKLRTDH-IBGZPJMESA-N 0 0 324.472 4.046 20 10 DICDRN CCN(Cc1cc(C)cc(OC)c1O)Cc1c(F)cccc1F ZINC000754729783 1045920771 /nfs/dbraw/zinc/92/07/71/1045920771.db2.gz GEZFNCFSJCGYIN-UHFFFAOYSA-N 0 0 321.367 4.010 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)NCC1(C(C)C)CC1 ZINC000802227598 1045924882 /nfs/dbraw/zinc/92/48/82/1045924882.db2.gz BHYZVJUAUQHKLN-UHFFFAOYSA-N 0 0 318.461 4.140 20 10 DICDRN O=C1/C(=C/c2ccsc2)SC(=S)N1c1ccccc1F ZINC000192839629 1045943429 /nfs/dbraw/zinc/94/34/29/1045943429.db2.gz FPXHNKXASAIUCT-GHXNOFRVSA-N 0 0 321.423 4.293 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)NCCC=C(C)C ZINC000802303914 1045948281 /nfs/dbraw/zinc/94/82/81/1045948281.db2.gz WFDBSPLKNJVWTC-UHFFFAOYSA-N 0 0 304.434 4.060 20 10 DICDRN C[C@H](Nc1ccc2c(c1)OCO2)c1ccc2ccccc2c1O ZINC000192883467 1045948457 /nfs/dbraw/zinc/94/84/57/1045948457.db2.gz DOUOYWPKKQGDKE-LBPRGKRZSA-N 0 0 307.349 4.447 20 10 DICDRN CCOc1ccc(N[C@@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000192996627 1045960657 /nfs/dbraw/zinc/96/06/57/1045960657.db2.gz HCQXAPDATGFINW-AWEZNQCLSA-N 0 0 314.429 4.333 20 10 DICDRN [O-]c1cccc(F)c1C[N@@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC001137837809 1045981330 /nfs/dbraw/zinc/98/13/30/1045981330.db2.gz VORPPOZTYWZNMB-GFCCVEGCSA-N 0 0 305.780 4.174 20 10 DICDRN [O-]c1cccc(F)c1C[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC001137839243 1045981525 /nfs/dbraw/zinc/98/15/25/1045981525.db2.gz XZTMSHJBHSELOK-HNNXBMFYSA-N 0 0 317.379 4.125 20 10 DICDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)CCC(C)(C)C)c1 ZINC000755532850 1045994483 /nfs/dbraw/zinc/99/44/83/1045994483.db2.gz UKXOQLWGSVIDPR-STQMWFEESA-N 0 0 307.434 4.040 20 10 DICDRN CC1(C)CCC[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000755511393 1045994911 /nfs/dbraw/zinc/99/49/11/1045994911.db2.gz SEDHMNMXQYCCJI-KRWDZBQOSA-N 0 0 314.473 4.119 20 10 DICDRN Cc1ccccc1[C@H](NC(=O)C1=CC(=O)CS1)C(C)(C)C ZINC000755838479 1046022626 /nfs/dbraw/zinc/02/26/26/1046022626.db2.gz WGSMHQUNYSFYSI-HNNXBMFYSA-N 0 0 303.427 4.279 20 10 DICDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000802655934 1046026841 /nfs/dbraw/zinc/02/68/41/1046026841.db2.gz ATOOXUDILIMNFP-QGZVFWFLSA-N 0 0 305.780 4.116 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)c1cc(SC)oc1C ZINC000830145660 1046044986 /nfs/dbraw/zinc/04/49/86/1046044986.db2.gz DGSYWDILJXNREH-UHFFFAOYSA-N 0 0 319.426 4.068 20 10 DICDRN CCc1c(N[C@@H](C)c2ccccc2O)cnn1CCC(C)C ZINC000756051449 1046046077 /nfs/dbraw/zinc/04/60/77/1046046077.db2.gz WUCPMCHJTSGWFK-AWEZNQCLSA-N 0 0 301.434 4.370 20 10 DICDRN CCC[C@@H](C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756343259 1046068221 /nfs/dbraw/zinc/06/82/21/1046068221.db2.gz YOACLVMAMHNBKB-BDAKNGLRSA-N 0 0 304.203 4.133 20 10 DICDRN CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756366567 1046072390 /nfs/dbraw/zinc/07/23/90/1046072390.db2.gz UYXAVRZBTFHXQK-NEPJUHHUSA-N 0 0 321.367 4.481 20 10 DICDRN C[C@H]([NH2+]CC(C)(C)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756401039 1046075828 /nfs/dbraw/zinc/07/58/28/1046075828.db2.gz NQICEQIQWRGKDU-LBPRGKRZSA-N 0 0 305.368 4.299 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1ccccc1OC ZINC000756402495 1046076790 /nfs/dbraw/zinc/07/67/90/1046076790.db2.gz SIAFHWRMQJYQSK-MEDUHNTESA-N 0 0 321.367 4.481 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)c1cc(F)cc(F)c1[O-] ZINC000756489702 1046090090 /nfs/dbraw/zinc/09/00/90/1046090090.db2.gz IKMHENLEXMEXAY-XXFAHNHDSA-N 0 0 307.315 4.148 20 10 DICDRN C[C@@H]([NH2+][C@H]1CSCc2ccccc21)c1ccc(F)cc1[O-] ZINC000756487193 1046090118 /nfs/dbraw/zinc/09/01/18/1046090118.db2.gz IKBLTCZRZXZKIG-BZNIZROVSA-N 0 0 303.402 4.170 20 10 DICDRN C[C@H]([NH2+][C@@H]1CSCc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000756487169 1046090247 /nfs/dbraw/zinc/09/02/47/1046090247.db2.gz IJDVMYGMYSKRJR-MGPLVRAMSA-N 0 0 321.392 4.309 20 10 DICDRN CCOc1cccc([C@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756496047 1046091958 /nfs/dbraw/zinc/09/19/58/1046091958.db2.gz MLQHBCGCMDTGKG-RYUDHWBXSA-N 0 0 321.367 4.481 20 10 DICDRN CCOc1cccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756496042 1046092907 /nfs/dbraw/zinc/09/29/07/1046092907.db2.gz MLQHBCGCMDTGKG-NEPJUHHUSA-N 0 0 321.367 4.481 20 10 DICDRN C[C@H](CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000756513139 1046095078 /nfs/dbraw/zinc/09/50/78/1046095078.db2.gz CLJINSSDKSRTRY-KGLIPLIRSA-N 0 0 314.385 4.145 20 10 DICDRN Cc1cc(C)cc([C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000756554824 1046098721 /nfs/dbraw/zinc/09/87/21/1046098721.db2.gz QAHBCGQIPPBLNZ-ZIAGYGMSSA-N 0 0 314.385 4.329 20 10 DICDRN COc1ccc(N(Cc2ccccc2)Cc2nccc(C)n2)cc1 ZINC000756564749 1046100689 /nfs/dbraw/zinc/10/06/89/1046100689.db2.gz CVOHYTNOWYYAIR-UHFFFAOYSA-N 0 0 319.408 4.000 20 10 DICDRN C[C@H]([NH2+]CC1CCSCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756575893 1046103297 /nfs/dbraw/zinc/10/32/97/1046103297.db2.gz QYKJRNQICUUKPO-VIFPVBQESA-N 0 0 320.285 4.493 20 10 DICDRN Cc1ccc(C[C@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])s1 ZINC000756586620 1046103854 /nfs/dbraw/zinc/10/38/54/1046103854.db2.gz UEGIYBFZMUHKKZ-GXSJLCMTSA-N 0 0 311.397 4.322 20 10 DICDRN CSCC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756585857 1046104226 /nfs/dbraw/zinc/10/42/26/1046104226.db2.gz NCMVIAJHWABGPA-IUCAKERBSA-N 0 0 308.274 4.491 20 10 DICDRN C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756589459 1046104298 /nfs/dbraw/zinc/10/42/98/1046104298.db2.gz LSACDHNHTHNXRH-ZJUUUORDSA-N 0 0 320.260 4.147 20 10 DICDRN C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756589452 1046104729 /nfs/dbraw/zinc/10/47/29/1046104729.db2.gz LSACDHNHTHNXRH-UWVGGRQHSA-N 0 0 320.260 4.147 20 10 DICDRN Cc1ccc([C@@H](C)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000756592625 1046106155 /nfs/dbraw/zinc/10/61/55/1046106155.db2.gz JKVIWEVKAXELEF-UONOGXRCSA-N 0 0 314.385 4.063 20 10 DICDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC001138129917 1046106676 /nfs/dbraw/zinc/10/66/76/1046106676.db2.gz ZGMYZQMDQXZCKO-MRXNPFEDSA-N 0 0 307.315 4.147 20 10 DICDRN COC[C@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])C(C)C ZINC000756599121 1046106746 /nfs/dbraw/zinc/10/67/46/1046106746.db2.gz XIOBBJLMPKIHGW-CABZTGNLSA-N 0 0 306.233 4.021 20 10 DICDRN CCC(CC)(C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])SC ZINC000756617951 1046109972 /nfs/dbraw/zinc/10/99/72/1046109972.db2.gz QWVLKSCTGLXMTB-JTQLQIEISA-N 0 0 303.418 4.243 20 10 DICDRN C[C@@H]([NH2+]C[C@H](C)Sc1ccccc1)c1ccc(F)cc1[O-] ZINC000756610487 1046110172 /nfs/dbraw/zinc/11/01/72/1046110172.db2.gz PFCICXFRHXPZGS-QWHCGFSZSA-N 0 0 305.418 4.363 20 10 DICDRN COc1ccc([C@H](C)CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000756611932 1046110616 /nfs/dbraw/zinc/11/06/16/1046110616.db2.gz KISRNUSLFLUZIT-KGLIPLIRSA-N 0 0 317.404 4.384 20 10 DICDRN COc1cccc2c1CC[C@H]2[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756645486 1046116681 /nfs/dbraw/zinc/11/66/81/1046116681.db2.gz GGTFZLSUNATIDR-QLJPJBMISA-N 0 0 319.351 4.017 20 10 DICDRN Cc1ccccc1-c1cnc(CN(C)c2ccc3c(c2)OCO3)o1 ZINC000756654125 1046117629 /nfs/dbraw/zinc/11/76/29/1046117629.db2.gz GFNPSMKYRKILTC-UHFFFAOYSA-N 0 0 322.364 4.015 20 10 DICDRN C[C@H]([NH2+]CC(C)(C)CCCO)c1ccc(Cl)c(Cl)c1[O-] ZINC000756663259 1046118552 /nfs/dbraw/zinc/11/85/52/1046118552.db2.gz HNFFMUGCQFTXNQ-JTQLQIEISA-N 0 0 320.260 4.148 20 10 DICDRN COCc1ccc(NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000195461969 1046120050 /nfs/dbraw/zinc/12/00/50/1046120050.db2.gz ZSJDSUYIOZPCII-UHFFFAOYSA-N 0 0 310.441 4.435 20 10 DICDRN CCc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756684063 1046120014 /nfs/dbraw/zinc/12/00/14/1046120014.db2.gz KDIRZPVKSBWIBE-PXAZEXFGSA-N 0 0 315.388 4.268 20 10 DICDRN FC(F)(F)[C@@H]1CCCN1Cc1ccc(N2CCCCC2)cc1 ZINC001138215671 1046120205 /nfs/dbraw/zinc/12/02/05/1046120205.db2.gz NYUHNPNDOXKVEY-INIZCTEOSA-N 0 0 312.379 4.204 20 10 DICDRN CC[C@@H]1CCCCN1C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000195565105 1046123259 /nfs/dbraw/zinc/12/32/59/1046123259.db2.gz MZSSNYAHDKFEMX-QGZVFWFLSA-N 0 0 317.477 4.007 20 10 DICDRN C[C@@H]([NH2+][C@@H](Cc1ccccc1)C1CC1)c1cc(F)cc(F)c1[O-] ZINC000756739115 1046125604 /nfs/dbraw/zinc/12/56/04/1046125604.db2.gz RYRXOOZSHWBYQN-XIKOKIGWSA-N 0 0 317.379 4.342 20 10 DICDRN COc1cccc(C(C)(C)C[NH2+][C@H](C)c2ccc(F)cc2[O-])c1 ZINC000756771048 1046129991 /nfs/dbraw/zinc/12/99/91/1046129991.db2.gz ZCBMFFQZCFFCRQ-CYBMUJFWSA-N 0 0 317.404 4.168 20 10 DICDRN Cc1c(CN2CCOC[C@@H]2c2ccccc2)c2ccccc2n1C ZINC001138252815 1046129905 /nfs/dbraw/zinc/12/99/05/1046129905.db2.gz VQNSYNRJHCEFJC-OAQYLSRUSA-N 0 0 320.436 4.060 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1c(C)noc1C ZINC000756776732 1046132015 /nfs/dbraw/zinc/13/20/15/1046132015.db2.gz QMNNGEBGSVKNIU-RMLUDKJBSA-N 0 0 310.344 4.077 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)N(CC)[C@H](C)C(C)C)cc1 ZINC000195720386 1046133206 /nfs/dbraw/zinc/13/32/06/1046133206.db2.gz OYSYCLSLMVZPFC-MRXNPFEDSA-N 0 0 319.493 4.109 20 10 DICDRN CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756788903 1046135266 /nfs/dbraw/zinc/13/52/66/1046135266.db2.gz YKEDEYCJOCQZPY-GBIKHYSHSA-N 0 0 318.244 4.165 20 10 DICDRN COc1c(C)ccc(N[C@H](C)c2cc(F)cc(F)c2O)c1C ZINC000756793529 1046135676 /nfs/dbraw/zinc/13/56/76/1046135676.db2.gz ZOPOCOTUTWCKOR-LLVKDONJSA-N 0 0 307.340 4.469 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-])C1(C)CC1 ZINC000756816462 1046138524 /nfs/dbraw/zinc/13/85/24/1046138524.db2.gz FJKJIDXZKNJAOP-DTWKUNHWSA-N 0 0 316.214 4.133 20 10 DICDRN COc1c(F)cc(N[C@H]2C[C@@H](C)c3c2c(O)ccc3F)cc1F ZINC000756814337 1046138625 /nfs/dbraw/zinc/13/86/25/1046138625.db2.gz KDUCPJPRQTWBGP-OQPBUACISA-N 0 0 323.314 4.479 20 10 DICDRN C[C@@H]([NH2+]CCOC(C)(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756817551 1046139304 /nfs/dbraw/zinc/13/93/04/1046139304.db2.gz KWNRTYVLMYNOJW-SECBINFHSA-N 0 0 306.233 4.165 20 10 DICDRN COCCOc1ccc(N[C@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000756819205 1046140063 /nfs/dbraw/zinc/14/00/63/1046140063.db2.gz LPNBNBFRWLJCQV-OAHLLOKOSA-N 0 0 315.413 4.207 20 10 DICDRN CCc1c(N[C@H](C)c2ccc(C)cc2O)cnn1CC(C)C ZINC000756856422 1046144575 /nfs/dbraw/zinc/14/45/75/1046144575.db2.gz PJCFOLDHPGDRCX-CQSZACIVSA-N 0 0 301.434 4.289 20 10 DICDRN C[C@H]1C[C@@H](Nc2cnn(C(C)(C)C)c2)c2c1c(F)ccc2O ZINC000756855895 1046145638 /nfs/dbraw/zinc/14/56/38/1046145638.db2.gz OLSYVGCNCVPZKD-GXFFZTMASA-N 0 0 303.381 4.143 20 10 DICDRN COc1ccc(F)cc1N[C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756856192 1046145836 /nfs/dbraw/zinc/14/58/36/1046145836.db2.gz KHYMRUHMRJOHGH-ZANVPECISA-N 0 0 305.324 4.339 20 10 DICDRN COC(=O)c1ccc(O)c([C@H](C)Nc2cc(F)cc(Cl)c2)c1 ZINC000756871981 1046147633 /nfs/dbraw/zinc/14/76/33/1046147633.db2.gz OUTVDNXMVADOPN-VIFPVBQESA-N 0 0 323.751 4.144 20 10 DICDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCCF ZINC000831706883 1046162013 /nfs/dbraw/zinc/16/20/13/1046162013.db2.gz OHVFJVGTTUSKRM-HNNXBMFYSA-N 0 0 315.388 4.232 20 10 DICDRN Cn1c(-c2ccccc2)cnc1SCc1cnc(Cl)s1 ZINC000760150691 1046173362 /nfs/dbraw/zinc/17/33/62/1046173362.db2.gz MBXWRPASGQBSTB-UHFFFAOYSA-N 0 0 321.858 4.489 20 10 DICDRN COCCOc1ccccc1N[C@@H](C)c1ccc(C)c(C)c1O ZINC000757575913 1046186092 /nfs/dbraw/zinc/18/60/92/1046186092.db2.gz JBBGCXNQEYTGOP-HNNXBMFYSA-N 0 0 315.413 4.207 20 10 DICDRN C[C@H](Nc1ccc2c(c1)CCCN2C)c1cc(F)cc(F)c1O ZINC000757580889 1046187678 /nfs/dbraw/zinc/18/76/78/1046187678.db2.gz JCXYQRBMJSUUOW-NSHDSACASA-N 0 0 318.367 4.226 20 10 DICDRN COc1ccc(O)c([C@@H](C)Nc2ccc3c(c2)CC(C)(C)O3)c1 ZINC000757614647 1046192533 /nfs/dbraw/zinc/19/25/33/1046192533.db2.gz RGONQFQPYCIHJT-GFCCVEGCSA-N 0 0 313.397 4.287 20 10 DICDRN C[C@H](Nc1ccc2c(c1)CC(C)(C)O2)c1ccc(F)cc1O ZINC000757614566 1046193243 /nfs/dbraw/zinc/19/32/43/1046193243.db2.gz OLSMANWZSMVFHP-NSHDSACASA-N 0 0 301.361 4.418 20 10 DICDRN C[C@H](Nc1ccc2c(c1)CC(C)(C)O2)c1cc(F)ccc1O ZINC000757614683 1046193324 /nfs/dbraw/zinc/19/33/24/1046193324.db2.gz SPCXHEHXZNQTBF-NSHDSACASA-N 0 0 301.361 4.418 20 10 DICDRN C[C@H]1C[C@@H](Nc2ccc3c(c2)ncn3C)c2c1c(F)ccc2O ZINC000757613268 1046193513 /nfs/dbraw/zinc/19/35/13/1046193513.db2.gz QKOHKRSFWGMHGD-IINYFYTJSA-N 0 0 311.360 4.078 20 10 DICDRN C[C@H](Nc1ccc(F)cc1OC(F)F)c1cc(F)ccc1O ZINC000757620076 1046195127 /nfs/dbraw/zinc/19/51/27/1046195127.db2.gz FPQVFERKZQEYLT-QMMMGPOBSA-N 0 0 315.266 4.445 20 10 DICDRN C[C@@H](Nc1ccc(F)cc1OC(F)F)c1ccc(F)cc1O ZINC000757620949 1046196274 /nfs/dbraw/zinc/19/62/74/1046196274.db2.gz MTIDCODVUMYRPG-MRVPVSSYSA-N 0 0 315.266 4.445 20 10 DICDRN CS[C@@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C(C)(C)C ZINC000757652495 1046197662 /nfs/dbraw/zinc/19/76/62/1046197662.db2.gz AUNOHIOJDIQOEV-RNCFNFMXSA-N 0 0 303.418 4.099 20 10 DICDRN O=C1/C(=C\c2ccc(C3CC3)cc2)SC(=S)N1C1CCC1 ZINC000841497571 1046204524 /nfs/dbraw/zinc/20/45/24/1046204524.db2.gz JJXHJZKUAPGGDC-XNTDXEJSSA-N 0 0 315.463 4.318 20 10 DICDRN CC[C@H](N[C@@H]1c2ccccc2OC[C@H]1F)c1ccc(F)cc1O ZINC000903266324 1046213235 /nfs/dbraw/zinc/21/32/35/1046213235.db2.gz OFRYMBLTSSOVGJ-RVKKMQEKSA-N 0 0 319.351 4.044 20 10 DICDRN CC[C@@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1cccc(Cl)c1[O-] ZINC000903263112 1046213399 /nfs/dbraw/zinc/21/33/99/1046213399.db2.gz JENFTRJLIBOWAR-MAZHCROVSA-N 0 0 311.853 4.028 20 10 DICDRN CCc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)o1 ZINC000760210199 1046220916 /nfs/dbraw/zinc/22/09/16/1046220916.db2.gz IFFFFQVYNUZGMI-UVTDQMKNSA-N 0 0 315.419 4.248 20 10 DICDRN CCc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)o1 ZINC000760210195 1046222253 /nfs/dbraw/zinc/22/22/53/1046222253.db2.gz IFFFFQVYNUZGMI-GXDHUFHOSA-N 0 0 315.419 4.248 20 10 DICDRN C[C@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])c1cncs1 ZINC000903311887 1046234233 /nfs/dbraw/zinc/23/42/33/1046234233.db2.gz SBXPHWLEHWTVRA-IUCAKERBSA-N 0 0 316.348 4.279 20 10 DICDRN C[C@H]1C[C@H](NCc2nc(C(C)(C)C)co2)c2c1c(F)ccc2O ZINC000903313197 1046234498 /nfs/dbraw/zinc/23/44/98/1046234498.db2.gz KIVCGPYAEMERFA-JQWIXIFHSA-N 0 0 318.392 4.155 20 10 DICDRN CCN(C)c1ccc([C@@H](C)NCc2nc(C(C)(C)C)co2)cc1 ZINC000903312957 1046235274 /nfs/dbraw/zinc/23/52/74/1046235274.db2.gz DPVCDVIEWMHZFX-CQSZACIVSA-N 0 0 315.461 4.279 20 10 DICDRN CC[N@H+](Cc1ccccc1O)Cc1ccccc1N1CCCCC1 ZINC001138608837 1046239426 /nfs/dbraw/zinc/23/94/26/1046239426.db2.gz VEDBHERJJZJACT-UHFFFAOYSA-N 0 0 324.468 4.405 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1csc(C)c1 ZINC000803389954 1046245770 /nfs/dbraw/zinc/24/57/70/1046245770.db2.gz NQHCMJBLCIKFFM-UHFFFAOYSA-N 0 0 303.427 4.205 20 10 DICDRN CCN(C(=O)/C=C/c1ccc(C)nc1)c1ccc(Cl)cc1F ZINC000799409145 1046264529 /nfs/dbraw/zinc/26/45/29/1046264529.db2.gz NYKMDSOJBRLGQX-RMKNXTFCSA-N 0 0 318.779 4.249 20 10 DICDRN COCCOCc1cccc(N[C@@H](C)c2cc(C)ccc2O)c1 ZINC000321321090 1046267936 /nfs/dbraw/zinc/26/79/36/1046267936.db2.gz QWBNQEOXMZFJNF-HNNXBMFYSA-N 0 0 315.413 4.037 20 10 DICDRN Cc1cc(O)c(CNc2cnc(Br)cc2C)cc1C ZINC000758468509 1046271951 /nfs/dbraw/zinc/27/19/51/1046271951.db2.gz CKOMPJWUVBBCTM-UHFFFAOYSA-N 0 0 321.218 4.087 20 10 DICDRN CCOc1ccc(CNc2ncc(C(C)(C)C)s2)c(O)c1 ZINC000758457139 1046272754 /nfs/dbraw/zinc/27/27/54/1046272754.db2.gz JTCQUIPGRMPSTC-UHFFFAOYSA-N 0 0 306.431 4.157 20 10 DICDRN Cc1ncccc1CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000903418842 1046273984 /nfs/dbraw/zinc/27/39/84/1046273984.db2.gz OVOJRDSLHSPVST-LBPRGKRZSA-N 0 0 324.346 4.008 20 10 DICDRN CSc1cccc(N(C)C(=O)/C=C/c2ccc(Cl)nc2)c1 ZINC000758961879 1046305718 /nfs/dbraw/zinc/30/57/18/1046305718.db2.gz GXYJSWTUPPMCJD-VQHVLOKHSA-N 0 0 318.829 4.133 20 10 DICDRN CCOc1ccc(CNc2ccc(OCC(F)F)cc2)c(O)c1 ZINC000748239810 1046363000 /nfs/dbraw/zinc/36/30/00/1046363000.db2.gz SAOGXEJPIMRJFT-UHFFFAOYSA-N 0 0 323.339 4.047 20 10 DICDRN CC(C)CCNC(=O)[C@@H](C)Sc1ncc(C(C)(C)C)s1 ZINC000759715010 1046373590 /nfs/dbraw/zinc/37/35/90/1046373590.db2.gz ZKKPUBDMSIEMKY-LLVKDONJSA-N 0 0 314.520 4.084 20 10 DICDRN CCC(C)(C)NC(=O)[C@@H](C)Sc1ncc(C(C)(C)C)s1 ZINC000759714504 1046374406 /nfs/dbraw/zinc/37/44/06/1046374406.db2.gz QXQXHEHLBHTQRA-SNVBAGLBSA-N 0 0 314.520 4.226 20 10 DICDRN CCC[C@@H](C)NC(=O)[C@H](C)Sc1ncc(C(C)(C)C)s1 ZINC000759713263 1046374433 /nfs/dbraw/zinc/37/44/33/1046374433.db2.gz IEZLWJDVLPPIMR-MNOVXSKESA-N 0 0 314.520 4.226 20 10 DICDRN Oc1ccc(-c2csc(Nc3cccc(F)c3)n2)cc1O ZINC000748448983 1046376354 /nfs/dbraw/zinc/37/63/54/1046376354.db2.gz IXEIGMILOGBNEK-UHFFFAOYSA-N 0 0 302.330 4.104 20 10 DICDRN CN(C)c1ccc(CNC(=O)N(C)C2CCCCCCC2)cc1 ZINC000748819802 1046406768 /nfs/dbraw/zinc/40/67/68/1046406768.db2.gz SYPNDRJJHKKYJY-UHFFFAOYSA-N 0 0 317.477 4.007 20 10 DICDRN CC/C(C)=C(\C)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000780967517 1046414020 /nfs/dbraw/zinc/41/40/20/1046414020.db2.gz BYHLXCSLNRQKLG-CCEZHUSRSA-N 0 0 313.397 4.260 20 10 DICDRN CC(C)O[C@@H](CN(C)c1ccc2c(c1)OCO2)c1ccccc1 ZINC001168214941 1046424142 /nfs/dbraw/zinc/42/41/42/1046424142.db2.gz MRMMCSIKPMYIMK-IBGZPJMESA-N 0 0 313.397 4.018 20 10 DICDRN Cc1nn(-c2ccccc2)cc1N[C@H](C)c1ccc(N(C)C)cc1 ZINC000781424459 1046444283 /nfs/dbraw/zinc/44/42/83/1046444283.db2.gz AVOUKYNVQZVZCU-OAHLLOKOSA-N 0 0 320.440 4.420 20 10 DICDRN COc1ccc2c(c1)CCCCN2C[C@@H](OC)C1CCCC1 ZINC001168243034 1046444781 /nfs/dbraw/zinc/44/47/81/1046444781.db2.gz AKMQFEOBNKFXBM-LJQANCHMSA-N 0 0 303.446 4.043 20 10 DICDRN Cc1cc(C)c(O)c(C[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)c1 ZINC000247054242 1046455280 /nfs/dbraw/zinc/45/52/80/1046455280.db2.gz VIGDKOIIMRCCRR-WMLDXEAASA-N 0 0 317.454 4.033 20 10 DICDRN CN(C)c1ccc(CN(C(=O)[C@H]2CCC(C)(C)C2)C2CC2)cc1 ZINC000781602912 1046459687 /nfs/dbraw/zinc/45/96/87/1046459687.db2.gz PWMJVJUCPCOTTJ-INIZCTEOSA-N 0 0 314.473 4.070 20 10 DICDRN CC[C@@H](Nc1cccc(CCCO)c1)c1ccc(N(C)C)cc1 ZINC000781917328 1046486029 /nfs/dbraw/zinc/48/60/29/1046486029.db2.gz FAOKYTUMOZTRNE-HXUWFJFHSA-N 0 0 312.457 4.241 20 10 DICDRN CC[N@H+](Cc1ccoc1)Cc1cc(C)cc(Br)c1[O-] ZINC000781908677 1046486470 /nfs/dbraw/zinc/48/64/70/1046486470.db2.gz LBHPWORHCOGINN-UHFFFAOYSA-N 0 0 324.218 4.078 20 10 DICDRN CC[C@H](Nc1cccc(CCCO)c1)c1ccc(N(C)C)cc1 ZINC000781917327 1046486602 /nfs/dbraw/zinc/48/66/02/1046486602.db2.gz FAOKYTUMOZTRNE-FQEVSTJZSA-N 0 0 312.457 4.241 20 10 DICDRN CN(Cc1nc(-c2ccccc2)cs1)Cc1ccccc1O ZINC000091956792 1046489051 /nfs/dbraw/zinc/48/90/51/1046489051.db2.gz OJYZGKSOLXLQIX-UHFFFAOYSA-N 0 0 310.422 4.148 20 10 DICDRN CN(Cc1ccncc1)c1ccc(OCc2ccccc2)cc1 ZINC000781964105 1046490786 /nfs/dbraw/zinc/49/07/86/1046490786.db2.gz OYQOQCCMXKJGEI-UHFFFAOYSA-N 0 0 304.393 4.297 20 10 DICDRN COc1ccccc1[C@H](C)[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC001139673375 1046496646 /nfs/dbraw/zinc/49/66/46/1046496646.db2.gz RFZREQDQNKEIQL-INIZCTEOSA-N 0 0 312.457 4.263 20 10 DICDRN Cc1ccc([C@H]2CCC[N@@H+]2Cc2c(F)ccc(F)c2[O-])cc1 ZINC001139683845 1046499209 /nfs/dbraw/zinc/49/92/09/1046499209.db2.gz NFCCOKBPPCRPMS-QGZVFWFLSA-N 0 0 303.352 4.316 20 10 DICDRN [O-]c1c(F)ccc(F)c1C[NH+]1CCC(c2ccccc2F)CC1 ZINC001139682816 1046500245 /nfs/dbraw/zinc/50/02/45/1046500245.db2.gz CVCSDDWZPLNSDV-UHFFFAOYSA-N 0 0 321.342 4.189 20 10 DICDRN C[N@H+](Cc1ccc2ccccc2c1)Cc1c(F)ccc(F)c1[O-] ZINC001139687328 1046500267 /nfs/dbraw/zinc/50/02/67/1046500267.db2.gz LQFXTRWYGGMDDI-UHFFFAOYSA-N 0 0 313.347 4.456 20 10 DICDRN Oc1ccc(-c2ccccc2)cc1CNc1cccc2c1OCO2 ZINC000782382667 1046522970 /nfs/dbraw/zinc/52/29/70/1046522970.db2.gz VJNUBWYTUZVMTO-UHFFFAOYSA-N 0 0 319.360 4.400 20 10 DICDRN Cc1ccc2cc(CNc3ccc4c(c3)ncn4C)ccc2n1 ZINC000782532519 1046534147 /nfs/dbraw/zinc/53/41/47/1046534147.db2.gz LYCBKCBHFVSWJZ-UHFFFAOYSA-N 0 0 302.381 4.042 20 10 DICDRN Nc1ccc(N(c2ccccc2)c2ccc(CCO)cc2)cc1 ZINC001212930487 1046543742 /nfs/dbraw/zinc/54/37/42/1046543742.db2.gz ANCAUXPBJWEHPI-UHFFFAOYSA-N 0 0 304.393 4.273 20 10 DICDRN COc1ccc(NCc2ccc(N3CCCCC3)cc2)cc1F ZINC000237341158 1046553134 /nfs/dbraw/zinc/55/31/34/1046553134.db2.gz GWQYGQSDBXGBNX-UHFFFAOYSA-N 0 0 314.404 4.437 20 10 DICDRN CCCn1nc(C)c(C[N@H+](CCC)Cc2ccccc2O)c1C ZINC000092704952 1046557619 /nfs/dbraw/zinc/55/76/19/1046557619.db2.gz YWPSMXIHYSPVDY-UHFFFAOYSA-N 0 0 315.461 4.028 20 10 DICDRN Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001140059191 1046577395 /nfs/dbraw/zinc/57/73/95/1046577395.db2.gz YCXCHUXQDNRZEO-CYBMUJFWSA-N 0 0 305.780 4.174 20 10 DICDRN Oc1ccc(F)cc1C[N@H+](Cc1ccccc1)Cc1ccccn1 ZINC001140057101 1046578545 /nfs/dbraw/zinc/57/85/45/1046578545.db2.gz CJSXIUQQFWRPRS-UHFFFAOYSA-N 0 0 322.383 4.129 20 10 DICDRN Oc1ccc(F)cc1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC001140059169 1046578863 /nfs/dbraw/zinc/57/88/63/1046578863.db2.gz WXFVSUJJTWDDLZ-INIZCTEOSA-N 0 0 307.315 4.147 20 10 DICDRN Oc1ccc(F)cc1CN1CC[C@H](c2ccccc2)C(F)(F)C1 ZINC001140056084 1046579571 /nfs/dbraw/zinc/57/95/71/1046579571.db2.gz HNCKVLJRVZZTSQ-MRXNPFEDSA-N 0 0 321.342 4.156 20 10 DICDRN CC[C@H]([NH2+]C[C@H](c1cccnc1)C(C)C)c1ccc(F)cc1[O-] ZINC000796794585 1046590842 /nfs/dbraw/zinc/59/08/42/1046590842.db2.gz VVVCNMQMCAEISH-ROUUACIJSA-N 0 0 316.420 4.407 20 10 DICDRN CSc1cc2c(cc1N[C@@H](C)c1ccccc1O)OCCO2 ZINC000783531408 1046605643 /nfs/dbraw/zinc/60/56/43/1046605643.db2.gz GRNJGEADBWQTJC-NSHDSACASA-N 0 0 317.410 4.058 20 10 DICDRN Cc1ccc(C)c(CN(C)Cc2csc(C(C)C)n2)c1O ZINC001140182491 1046610045 /nfs/dbraw/zinc/61/00/45/1046610045.db2.gz SALNOSRYEOSBBE-UHFFFAOYSA-N 0 0 304.459 4.221 20 10 DICDRN O=C(OCc1cc2ccccc2c(Cl)n1)C1=CC(=O)CS1 ZINC000783607333 1046613145 /nfs/dbraw/zinc/61/31/45/1046613145.db2.gz GLEDKNUPQTXWHD-UHFFFAOYSA-N 0 0 319.769 4.012 20 10 DICDRN CCOc1cc(NCc2c(O)cccc2Cl)ccc1OC ZINC000093232501 1046616776 /nfs/dbraw/zinc/61/67/76/1046616776.db2.gz DUTFJFLMLSBPOO-UHFFFAOYSA-N 0 0 307.777 4.065 20 10 DICDRN C[C@H]([NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)c1ccc(Cl)cc1[O-] ZINC000841753238 1046619512 /nfs/dbraw/zinc/61/95/12/1046619512.db2.gz YDLNJJBDRUFBID-RBOXIYTFSA-N 0 0 311.853 4.290 20 10 DICDRN CCN(C(=O)/C=C/c1cnccc1C)c1ccccc1Cl ZINC000783896658 1046643654 /nfs/dbraw/zinc/64/36/54/1046643654.db2.gz RITFBHANQLIFSQ-CMDGGOBGSA-N 0 0 300.789 4.110 20 10 DICDRN Oc1cccc2c1[C@H](Nc1cc(F)ccc1OC(F)F)CC2 ZINC000834730411 1046656565 /nfs/dbraw/zinc/65/65/65/1046656565.db2.gz WUUIILDFHLRXJK-LLVKDONJSA-N 0 0 309.287 4.232 20 10 DICDRN Fc1cccc2oc(NCc3ccc(N4CCCC4)cc3)nc21 ZINC000784082541 1046658796 /nfs/dbraw/zinc/65/87/96/1046658796.db2.gz HDOGRMCDSZHYDE-UHFFFAOYSA-N 0 0 311.360 4.179 20 10 DICDRN Cc1ccncc1/C=C/C(=O)N1C[C@H](C)CSc2ccccc21 ZINC000784087812 1046659832 /nfs/dbraw/zinc/65/98/32/1046659832.db2.gz DGEWJPOVBGAVIT-NPQIQWPPSA-N 0 0 324.449 4.178 20 10 DICDRN COc1ccc(OC(C)C)c(N[C@@H]2CCc3cccc(O)c32)c1 ZINC000834751187 1046663698 /nfs/dbraw/zinc/66/36/98/1046663698.db2.gz LCEBYRIRAUODGY-OAHLLOKOSA-N 0 0 313.397 4.287 20 10 DICDRN CC(C)n1ncc2cc(N[C@H]3CCc4cccc(O)c43)ccc21 ZINC000834751715 1046664328 /nfs/dbraw/zinc/66/43/28/1046664328.db2.gz QPXMXTAGXRISPX-INIZCTEOSA-N 0 0 307.397 4.422 20 10 DICDRN CN(Cc1c(O)cccc1Cl)[C@H](C1CCC1)C(F)(F)F ZINC001140342208 1046667903 /nfs/dbraw/zinc/66/79/03/1046667903.db2.gz XSCFNYYMJSCFGC-CYBMUJFWSA-N 0 0 307.743 4.208 20 10 DICDRN C[C@@H](Nc1cc2c(cc1Cl)OCO2)c1cc(F)ccc1O ZINC000094617248 1046679166 /nfs/dbraw/zinc/67/91/66/1046679166.db2.gz DRDGHVCVZLTKPP-MRVPVSSYSA-N 0 0 309.724 4.087 20 10 DICDRN CC[C@@H]([NH2+]CC1=CCOCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000834860022 1046688987 /nfs/dbraw/zinc/68/89/87/1046688987.db2.gz MYDUOBSGWKNTCB-CQSZACIVSA-N 0 0 316.228 4.086 20 10 DICDRN C/C(=C\C1CCC(C)CC1)C(=O)N(C)Cc1ccccc1O ZINC001137345317 1046689614 /nfs/dbraw/zinc/68/96/14/1046689614.db2.gz CIOQPTKFSRWFQP-NTCAYCPXSA-N 0 0 301.430 4.123 20 10 DICDRN CCCSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000249686035 1046690561 /nfs/dbraw/zinc/69/05/61/1046690561.db2.gz GJRYFVVKCOBZIJ-OAHLLOKOSA-N 0 0 302.443 4.231 20 10 DICDRN CSCC1CCC([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000834874644 1046692170 /nfs/dbraw/zinc/69/21/70/1046692170.db2.gz BROFXOOMANLGAV-ZBOXLXRLSA-N 0 0 315.429 4.243 20 10 DICDRN CC[C@H]([NH2+][C@H](C)CC(C)(C)O)c1cc(Cl)cc(Cl)c1[O-] ZINC000834876846 1046693374 /nfs/dbraw/zinc/69/33/74/1046693374.db2.gz RNJQPKUJMXSJRC-RNCFNFMXSA-N 0 0 320.260 4.289 20 10 DICDRN CC[C@H]([NH2+]C[C@H]1CCOC2(CCC2)C1)c1cccc(Cl)c1[O-] ZINC000834882610 1046695651 /nfs/dbraw/zinc/69/56/51/1046695651.db2.gz MNAAGKDZLYBGDS-BBRMVZONSA-N 0 0 323.864 4.436 20 10 DICDRN CC[C@@H]([NH2+]CCCc1ncccc1C)c1cccc(Cl)c1[O-] ZINC000834883422 1046696514 /nfs/dbraw/zinc/69/65/14/1046696514.db2.gz LOZMYQGHMALSHT-MRXNPFEDSA-N 0 0 318.848 4.423 20 10 DICDRN CC[C@@H]([NH2+]CCc1ncccc1C)c1cccc(Cl)c1[O-] ZINC000834884679 1046696740 /nfs/dbraw/zinc/69/67/40/1046696740.db2.gz AZRQPHOXNZUTIG-OAHLLOKOSA-N 0 0 304.821 4.032 20 10 DICDRN CC[C@](C)(C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])OC ZINC000834882114 1046697222 /nfs/dbraw/zinc/69/72/22/1046697222.db2.gz HYISVZCVKNMSCP-LKFCYVNXSA-N 0 0 306.233 4.165 20 10 DICDRN CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)CCO1 ZINC000834885043 1046698435 /nfs/dbraw/zinc/69/84/35/1046698435.db2.gz GCDVVXSDFQYCSO-LGWLGOQQSA-N 0 0 321.436 4.120 20 10 DICDRN Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)c(O)c1 ZINC000834885203 1046698877 /nfs/dbraw/zinc/69/88/77/1046698877.db2.gz HRXWWOHCZSSHBV-XYJFISCASA-N 0 0 305.462 4.111 20 10 DICDRN Cc1cccnc1CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000834886223 1046700924 /nfs/dbraw/zinc/70/09/24/1046700924.db2.gz QYVDZQJTIHGSAD-GFCCVEGCSA-N 0 0 324.346 4.008 20 10 DICDRN C[C@H]([NH2+]C[C@H]1CCCC1(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000834886593 1046701338 /nfs/dbraw/zinc/70/13/38/1046701338.db2.gz UGZQLSNFHIPAKT-VHSXEESVSA-N 0 0 323.305 4.497 20 10 DICDRN CCN(CC)c1ccc(CNc2ccc3c(c2)C[C@@H](OC)C3)cc1 ZINC000784634828 1046702607 /nfs/dbraw/zinc/70/26/07/1046702607.db2.gz GXQWVRGNBJHMRV-NRFANRHFSA-N 0 0 324.468 4.259 20 10 DICDRN C[C@@H]([NH2+]CC[C@@]1(C)CC1(Cl)Cl)c1cc(F)cc(F)c1[O-] ZINC000834894686 1046704752 /nfs/dbraw/zinc/70/47/52/1046704752.db2.gz UALJNOPMQAXKDF-OQPBUACISA-N 0 0 324.198 4.295 20 10 DICDRN CC[C@@H]([NH2+]CC1(CC)COC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000834899120 1046708356 /nfs/dbraw/zinc/70/83/56/1046708356.db2.gz IFQRTOWYXQHWBT-GFCCVEGCSA-N 0 0 318.244 4.166 20 10 DICDRN CCc1nc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)co1 ZINC000834898974 1046708900 /nfs/dbraw/zinc/70/89/00/1046708900.db2.gz DFZOYECFFHBWQP-OAHLLOKOSA-N 0 0 313.445 4.078 20 10 DICDRN CC[C@@H]([NH2+]C1CCC(OC(F)F)CC1)c1ccc(F)cc1[O-] ZINC000834902598 1046711566 /nfs/dbraw/zinc/71/15/66/1046711566.db2.gz HJDSVXGPOFLOFK-ORHYLEIMSA-N 0 0 317.351 4.122 20 10 DICDRN CCc1nc(CN[C@@H](C)c2cc(Cl)c(Cl)cc2O)co1 ZINC000834900030 1046712340 /nfs/dbraw/zinc/71/23/40/1046712340.db2.gz SJWRHZSMCHOOOP-QMMMGPOBSA-N 0 0 315.200 4.100 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)c1ccc(OC)c(F)c1)c1ccc(F)cc1[O-] ZINC000796675973 1046716495 /nfs/dbraw/zinc/71/64/95/1046716495.db2.gz OLYNVVOHQYCMQU-BDJLRTHQSA-N 0 0 321.367 4.481 20 10 DICDRN CC[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1cccc(Cl)c1[O-] ZINC000834911995 1046718404 /nfs/dbraw/zinc/71/84/04/1046718404.db2.gz VGLOVCGJFKKLLB-DOMZBBRYSA-N 0 0 311.853 4.292 20 10 DICDRN CC[C@H]([NH2+]CCc1cccc2cccnc21)c1ccc(F)cc1[O-] ZINC000796684957 1046718632 /nfs/dbraw/zinc/71/86/32/1046718632.db2.gz UANRFHLHDGEYJT-SFHVURJKSA-N 0 0 324.399 4.363 20 10 DICDRN CC[C@H]([NH2+]CCc1ccc2ccccc2n1)c1ccc(F)cc1[O-] ZINC000796723675 1046722811 /nfs/dbraw/zinc/72/28/11/1046722811.db2.gz ORHBVZHEFGRKQE-SFHVURJKSA-N 0 0 324.399 4.363 20 10 DICDRN CC[C@@H]([NH2+][C@@H]1CCCOc2ccccc21)c1ccc(F)cc1[O-] ZINC000796735735 1046724623 /nfs/dbraw/zinc/72/46/23/1046724623.db2.gz FHQDNBSMLWYLDT-IAGOWNOFSA-N 0 0 315.388 4.486 20 10 DICDRN CC[C@@H]([NH2+]CCCCc1nc(C)cs1)c1ccc(F)cc1[O-] ZINC000796744922 1046724713 /nfs/dbraw/zinc/72/47/13/1046724713.db2.gz SJPWAVXNBSHUMU-OAHLLOKOSA-N 0 0 322.449 4.360 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H](C)Oc1ccccc1F)c1ccc(F)cc1[O-] ZINC000796778476 1046730362 /nfs/dbraw/zinc/73/03/62/1046730362.db2.gz XWTMOWVAHDCRRN-MLGOLLRUSA-N 0 0 321.367 4.179 20 10 DICDRN COc1ccccc1C[C@H](C)[N@H+](C)Cc1ccc(Cl)cc1O ZINC001140464599 1046734991 /nfs/dbraw/zinc/73/49/91/1046734991.db2.gz WOUNBYPGWSXHSH-ZDUSSCGKSA-N 0 0 319.832 4.117 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)C[C@H](O)c1ccccc1)c1ccc(F)cc1[O-] ZINC000796797209 1046735347 /nfs/dbraw/zinc/73/53/47/1046735347.db2.gz LOPOCLGXCHNAKI-KKXDTOCCSA-N 0 0 317.404 4.084 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc(OC)c(Cl)c1)c1ccc(F)cc1[O-] ZINC000796831984 1046741736 /nfs/dbraw/zinc/74/17/36/1046741736.db2.gz KNVAYNOKQKKFRY-HNNXBMFYSA-N 0 0 323.795 4.434 20 10 DICDRN CC[C@@H]([NH2+][C@@H]1COc2ccc(C)cc21)c1ccc(F)cc1[O-] ZINC000796833009 1046742391 /nfs/dbraw/zinc/74/23/91/1046742391.db2.gz VRDJWVYKRRHJDY-HZPDHXFCSA-N 0 0 301.361 4.014 20 10 DICDRN Cc1cccc([C@@H]2CCC[N@H+]2C/C=C/c2ccc(N(C)C)cc2)n1 ZINC000835030677 1046743367 /nfs/dbraw/zinc/74/33/67/1046743367.db2.gz YIWHHZMSAZPJMC-FERLCFGISA-N 0 0 321.468 4.306 20 10 DICDRN CC[C@@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)c1ccc(F)cc1[O-] ZINC000796836477 1046743216 /nfs/dbraw/zinc/74/32/16/1046743216.db2.gz YPOINUFUBOEORF-WBVHZDCISA-N 0 0 309.425 4.167 20 10 DICDRN CC(=O)Nc1ccc(C)c(NC/C=C\c2ccc(N(C)C)cc2)c1 ZINC000835027612 1046744366 /nfs/dbraw/zinc/74/43/66/1046744366.db2.gz BPOHBWCKMNQYHY-WAYWQWQTSA-N 0 0 323.440 4.145 20 10 DICDRN CC[C@H](Nc1ccn(CCC(C)C)n1)c1ccc(F)cc1O ZINC000796891780 1046752434 /nfs/dbraw/zinc/75/24/34/1046752434.db2.gz ROJSKIKATDVXQQ-HNNXBMFYSA-N 0 0 305.397 4.337 20 10 DICDRN CC[C@H]([NH2+]C[C@@H](C)Oc1ccccc1F)c1ccc(F)cc1[O-] ZINC000796778477 1046753391 /nfs/dbraw/zinc/75/33/91/1046753391.db2.gz XWTMOWVAHDCRRN-WBMJQRKESA-N 0 0 321.367 4.179 20 10 DICDRN CC[C@H](Nc1cnn(CC(C)C)c1C)c1ccc(F)cc1O ZINC000796897975 1046754944 /nfs/dbraw/zinc/75/49/44/1046754944.db2.gz MUPRUGLXAGUDNE-HNNXBMFYSA-N 0 0 305.397 4.255 20 10 DICDRN CCCCn1ncc(N[C@@H](CC)c2ccc(F)cc2O)c1C ZINC000796901713 1046755299 /nfs/dbraw/zinc/75/52/99/1046755299.db2.gz YPOUNPYLKYUGKW-HNNXBMFYSA-N 0 0 305.397 4.400 20 10 DICDRN CC[C@H](Nc1ccc2c(c1)CCCO2)c1ccc(F)cc1O ZINC000796916418 1046756936 /nfs/dbraw/zinc/75/69/36/1046756936.db2.gz HBEOZKVMGWAMRC-INIZCTEOSA-N 0 0 301.361 4.420 20 10 DICDRN CC[C@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1ccc(F)cc1[O-] ZINC000796983885 1046766865 /nfs/dbraw/zinc/76/68/65/1046766865.db2.gz MQTUVQXMQFULFR-KRWDZBQOSA-N 0 0 312.388 4.296 20 10 DICDRN CC[C@H]([NH2+]CCc1cccc2[nH]ccc21)c1ccc(F)cc1[O-] ZINC000796989435 1046767605 /nfs/dbraw/zinc/76/76/05/1046767605.db2.gz QXQDDNIJZVJAAE-KRWDZBQOSA-N 0 0 312.388 4.296 20 10 DICDRN CC[C@@H](Nc1ccc(OC(F)F)nc1)c1ccc(F)cc1O ZINC000796995222 1046768125 /nfs/dbraw/zinc/76/81/25/1046768125.db2.gz YLZVCKQTZXEMSC-GFCCVEGCSA-N 0 0 312.291 4.091 20 10 DICDRN Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1c([O-])cc(F)cc1F ZINC001140580790 1046793600 /nfs/dbraw/zinc/79/36/00/1046793600.db2.gz FOWFDFMWUBXOSR-QGZVFWFLSA-N 0 0 303.352 4.316 20 10 DICDRN Cc1cc2cc(C[NH2+][C@H](C)c3cc(F)cc(F)c3[O-])ccc2[nH]1 ZINC000797135746 1046794392 /nfs/dbraw/zinc/79/43/92/1046794392.db2.gz TYGQXXOTUIIUPB-LLVKDONJSA-N 0 0 316.351 4.311 20 10 DICDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC001140584168 1046795880 /nfs/dbraw/zinc/79/58/80/1046795880.db2.gz GWEVNKKCMAUIAZ-AWEZNQCLSA-N 0 0 303.352 4.050 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)c1cc(C(C)C)oc1C ZINC000797194530 1046799183 /nfs/dbraw/zinc/79/91/83/1046799183.db2.gz UWYJMFSPHAGWKH-UHFFFAOYSA-N 0 0 315.413 4.469 20 10 DICDRN CCc1ccnc(CNC(=S)Nc2cccc(Cl)c2C)c1 ZINC000797793593 1046883166 /nfs/dbraw/zinc/88/31/66/1046883166.db2.gz REISCXQJWONWFJ-UHFFFAOYSA-N 0 0 319.861 4.092 20 10 DICDRN Cc1cc(Cl)cc(CNc2ccc3c(c2)CCOC3)c1O ZINC000827313770 1046899891 /nfs/dbraw/zinc/89/98/91/1046899891.db2.gz RGISYLXLZBRJJC-UHFFFAOYSA-N 0 0 303.789 4.039 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)c1ccccc1SC ZINC000797931845 1046906618 /nfs/dbraw/zinc/90/66/18/1046906618.db2.gz JZZGTTHLSPJSAK-UHFFFAOYSA-N 0 0 315.438 4.167 20 10 DICDRN C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2F)C1)c1ccc(F)cc1[O-] ZINC000797997267 1046918114 /nfs/dbraw/zinc/91/81/14/1046918114.db2.gz SPHZDEDTTQMCDY-OBJOEFQTSA-N 0 0 303.352 4.267 20 10 DICDRN CN(C)c1ccc(CN(C)C(=O)/C(F)=C\C2CCCCC2)cc1 ZINC000798153250 1046932108 /nfs/dbraw/zinc/93/21/08/1046932108.db2.gz PULBDZMICSCDNF-QGOAFFKASA-N 0 0 318.436 4.145 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])[C@H]1CCCO1 ZINC000798181943 1046933200 /nfs/dbraw/zinc/93/32/00/1046933200.db2.gz OOVXWRYRFXUVQW-LEWSCRJBSA-N 0 0 317.351 4.019 20 10 DICDRN C[C@H]([NH2+]CCc1cccs1)c1cccc(C(F)(F)F)c1[O-] ZINC000798179529 1046933419 /nfs/dbraw/zinc/93/34/19/1046933419.db2.gz DNZJYINRUTUIBM-JTQLQIEISA-N 0 0 315.360 4.366 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)N(C)C(C)(C)CC)cc1F ZINC000798435907 1046954265 /nfs/dbraw/zinc/95/42/65/1046954265.db2.gz CNCWQWBLHZUFRD-UHFFFAOYSA-N 0 0 323.456 4.002 20 10 DICDRN COc1cccc([C@@H]2CCCC[N@@H+]2Cc2ccc(C)cc2O)c1 ZINC001140950166 1046957767 /nfs/dbraw/zinc/95/77/67/1046957767.db2.gz SXHIRBBRWVTOTE-IBGZPJMESA-N 0 0 311.425 4.436 20 10 DICDRN COc1cccc(CNc2ccccc2NC(C)(C)C)c1O ZINC000798500685 1046958502 /nfs/dbraw/zinc/95/85/02/1046958502.db2.gz WMWCZVUQSRAHCY-UHFFFAOYSA-N 0 0 300.402 4.223 20 10 DICDRN Cc1ccccc1[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000798959588 1046992085 /nfs/dbraw/zinc/99/20/85/1046992085.db2.gz KYOKNVZOFSOGEO-SHTZXODSSA-N 0 0 301.817 4.390 20 10 DICDRN CC/C(=C/C(=O)N(C)Cc1ccccc1O)c1ccc(C)cc1 ZINC000303956090 1047009733 /nfs/dbraw/zinc/00/97/33/1047009733.db2.gz XIUIWSFGLPEZSR-SSZFMOIBSA-N 0 0 309.409 4.153 20 10 DICDRN Cc1cc(/C=C2/c3cc(Cl)ccc3N(C)C2=O)cnc1Cl ZINC000799501449 1047038762 /nfs/dbraw/zinc/03/87/62/1047038762.db2.gz CZCPKQQTSZVCPC-MLPAPPSSSA-N 0 0 319.191 4.214 20 10 DICDRN O=C(NCCCSc1nccs1)C1CC2(C1)CCCCC2 ZINC000827474628 1047044216 /nfs/dbraw/zinc/04/42/16/1047044216.db2.gz HHZHTTVRGBNZKP-UHFFFAOYSA-N 0 0 324.515 4.102 20 10 DICDRN CCCC[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000799880623 1047066387 /nfs/dbraw/zinc/06/63/87/1047066387.db2.gz CCRLAIGRLZVRHZ-INIZCTEOSA-N 0 0 304.478 4.316 20 10 DICDRN CC(C)c1ccc([C@@H](C)CC(=O)NCc2ccc(N)cc2)cc1 ZINC000837303515 1047067146 /nfs/dbraw/zinc/06/71/46/1047067146.db2.gz UQKOFYYVHSGYCP-HNNXBMFYSA-N 0 0 310.441 4.202 20 10 DICDRN Nc1ccc(CNC(=O)CC2CCC(c3ccccc3)CC2)cc1 ZINC000837303508 1047067276 /nfs/dbraw/zinc/06/72/76/1047067276.db2.gz TVNHBALUOIUSPL-UHFFFAOYSA-N 0 0 322.452 4.249 20 10 DICDRN [O-]c1c(F)ccc(F)c1C[NH+]1CCC(c2cccs2)CC1 ZINC001139684138 1047083173 /nfs/dbraw/zinc/08/31/73/1047083173.db2.gz RAFFSJDBDULTRA-UHFFFAOYSA-N 0 0 309.381 4.112 20 10 DICDRN CC/C=C/CNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC001141440083 1047132141 /nfs/dbraw/zinc/13/21/41/1047132141.db2.gz PXAXWLKAGHCYRC-AATRIKPKSA-N 0 0 316.832 4.444 20 10 DICDRN COc1cccc(C2([NH2+]Cc3cccc(Cl)c3[O-])CCC2)c1 ZINC000827661966 1047148785 /nfs/dbraw/zinc/14/87/85/1047148785.db2.gz JAYHZZKXHDUJEH-UHFFFAOYSA-N 0 0 317.816 4.223 20 10 DICDRN O=C(NCc1ccccc1O)C1(c2ccccc2)CCCCCC1 ZINC001137471407 1047150555 /nfs/dbraw/zinc/15/05/55/1047150555.db2.gz JVSBSCLSUQQSQK-UHFFFAOYSA-N 0 0 323.436 4.301 20 10 DICDRN C[C@@H]([NH2+]Cc1cccc(C(F)F)c1)c1cc(F)cc(F)c1[O-] ZINC001116722508 1047171869 /nfs/dbraw/zinc/17/18/69/1047171869.db2.gz MRNLGNYWBZPSKK-SECBINFHSA-N 0 0 313.294 4.459 20 10 DICDRN Cc1coc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1C ZINC001117130195 1047194919 /nfs/dbraw/zinc/19/49/19/1047194919.db2.gz CTPLUVZNFLVQCO-UHFFFAOYSA-N 0 0 314.429 4.013 20 10 DICDRN C[C@H](CCCc1cccnc1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000839151527 1047198749 /nfs/dbraw/zinc/19/87/49/1047198749.db2.gz WZQILHJBWDUMKR-GFCCVEGCSA-N 0 0 322.811 4.081 20 10 DICDRN COc1cc(NCc2cc(C)c(C)cc2O)cc(OC)c1Cl ZINC000839187349 1047202326 /nfs/dbraw/zinc/20/23/26/1047202326.db2.gz VYINEGPHHNRWTL-UHFFFAOYSA-N 0 0 321.804 4.292 20 10 DICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C1CCC(C(F)F)CC1 ZINC000839179212 1047202932 /nfs/dbraw/zinc/20/29/32/1047202932.db2.gz GNYKBKVLIMPBJL-UHFFFAOYSA-N 0 0 307.743 4.098 20 10 DICDRN CCCC1(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000760321417 1047212446 /nfs/dbraw/zinc/21/24/46/1047212446.db2.gz QLCYPFPXQFXARN-UHFFFAOYSA-N 0 0 314.473 4.216 20 10 DICDRN Cc1ccc(C(=O)Nc2c3nonc3ccc2Cl)c(Cl)c1 ZINC001117509240 1047229972 /nfs/dbraw/zinc/22/99/72/1047229972.db2.gz SIOKNCQHWMRKHY-UHFFFAOYSA-N 0 0 322.151 4.090 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)c1cc(Cl)cs1 ZINC000760440981 1047236701 /nfs/dbraw/zinc/23/67/01/1047236701.db2.gz PYNRQBVGORZGLE-UHFFFAOYSA-N 0 0 309.818 4.160 20 10 DICDRN CC(C)Sc1ccccc1C(=O)N[C@H](C)c1ccccc1O ZINC000827930095 1047242272 /nfs/dbraw/zinc/24/22/72/1047242272.db2.gz AXSVUHZLECZJJD-CYBMUJFWSA-N 0 0 315.438 4.384 20 10 DICDRN Cc1ccc(CC2CCN(C(=O)Nc3ccc(N)cc3)CC2)cc1 ZINC001118017041 1047256728 /nfs/dbraw/zinc/25/67/28/1047256728.db2.gz MKOFMNGGTQKELT-UHFFFAOYSA-N 0 0 323.440 4.064 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1-c1nnc(-c2cccn2C)o1 ZINC001118126685 1047264895 /nfs/dbraw/zinc/26/48/95/1047264895.db2.gz DYSKCDNQXBWPLW-UHFFFAOYSA-N 0 0 324.409 4.211 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccccc1OC ZINC000387664709 1047284573 /nfs/dbraw/zinc/28/45/73/1047284573.db2.gz BFILFZSBKVKONP-LRDDRELGSA-N 0 0 303.377 4.342 20 10 DICDRN CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000387885984 1047284719 /nfs/dbraw/zinc/28/47/19/1047284719.db2.gz QEGMPNLLYSAAFP-OLZOCXBDSA-N 0 0 303.377 4.342 20 10 DICDRN CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000387885983 1047284795 /nfs/dbraw/zinc/28/47/95/1047284795.db2.gz QEGMPNLLYSAAFP-CHWSQXEVSA-N 0 0 303.377 4.342 20 10 DICDRN CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000387885986 1047285707 /nfs/dbraw/zinc/28/57/07/1047285707.db2.gz QEGMPNLLYSAAFP-STQMWFEESA-N 0 0 303.377 4.342 20 10 DICDRN CCC(=O)N1CCc2ccc(N[C@H](CC)c3ccccc3O)cc21 ZINC000897767032 1047287283 /nfs/dbraw/zinc/28/72/83/1047287283.db2.gz MTAJAIBQEQQVMH-QGZVFWFLSA-N 0 0 324.424 4.255 20 10 DICDRN C[C@H](Nc1cc2c(cc1Cl)OCCO2)c1cc(F)ccc1O ZINC000388576383 1047287322 /nfs/dbraw/zinc/28/73/22/1047287322.db2.gz FBLKYTRRDLXEOY-VIFPVBQESA-N 0 0 323.751 4.129 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(C3CC3)CC2)cc1 ZINC001141788539 1047291375 /nfs/dbraw/zinc/29/13/75/1047291375.db2.gz IUPUCVICSVOCDK-UHFFFAOYSA-N 0 0 322.452 4.356 20 10 DICDRN Cc1ccc([C@H]2CCC[N@@H+]2Cc2cc(F)c(F)cc2[O-])cc1 ZINC001142520824 1047293118 /nfs/dbraw/zinc/29/31/18/1047293118.db2.gz PVFSIXZSBDYGHZ-QGZVFWFLSA-N 0 0 303.352 4.316 20 10 DICDRN C[C@@H](CCOCc1ccccc1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000389929671 1047293708 /nfs/dbraw/zinc/29/37/08/1047293708.db2.gz HGMBBLCWBHAXJQ-GJZGRUSLSA-N 0 0 317.404 4.177 20 10 DICDRN CC[C@@H]([NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1cccc(Cl)c1[O-] ZINC001118427973 1047293889 /nfs/dbraw/zinc/29/38/89/1047293889.db2.gz OYYGQLZRANXZST-IHXVIFPJSA-N 0 0 301.764 4.130 20 10 DICDRN CC[C@@H](Nc1cccc(COCCOC)c1)c1ccccc1O ZINC000390937267 1047302570 /nfs/dbraw/zinc/30/25/70/1047302570.db2.gz KKZVVCLUGHMPJK-GOSISDBHSA-N 0 0 315.413 4.118 20 10 DICDRN CCCCCC[C@@](C)(CCC)C(=O)NCc1ccc(O)cc1O ZINC001142533234 1047320057 /nfs/dbraw/zinc/32/00/57/1047320057.db2.gz HVVSMNLVXUVBRZ-LJQANCHMSA-N 0 0 321.461 4.491 20 10 DICDRN Cc1cc(C)c(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC000397024771 1047325842 /nfs/dbraw/zinc/32/58/42/1047325842.db2.gz NIZRNJJGFUUQKX-UHFFFAOYSA-N 0 0 311.212 4.001 20 10 DICDRN COC1CCC([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000840792750 1047333444 /nfs/dbraw/zinc/33/34/44/1047333444.db2.gz PTJKXUTUPGSBMA-UNXYVOJBSA-N 0 0 317.351 4.019 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1CCCCCC1 ZINC000726140763 1047335685 /nfs/dbraw/zinc/33/56/85/1047335685.db2.gz YVDLAIHBFAINPT-UHFFFAOYSA-N 0 0 316.489 4.460 20 10 DICDRN CC[C@@H]([NH2+]C[C@H](C)CCOC)c1ccc(Cl)c(Cl)c1[O-] ZINC000840836297 1047341706 /nfs/dbraw/zinc/34/17/06/1047341706.db2.gz XSHZNUNGGVQNPV-ZWNOBZJWSA-N 0 0 320.260 4.412 20 10 DICDRN CC[C@H]([NH2+]C[C@H](C)CCOC)c1ccc(Cl)c(Cl)c1[O-] ZINC000840836296 1047341752 /nfs/dbraw/zinc/34/17/52/1047341752.db2.gz XSHZNUNGGVQNPV-MFKMUULPSA-N 0 0 320.260 4.412 20 10 DICDRN Cc1ccc(CNC(=S)Nc2ccc(C(C)C)cc2)nc1C ZINC000840844404 1047342500 /nfs/dbraw/zinc/34/25/00/1047342500.db2.gz QSXNIOOPQITDLO-UHFFFAOYSA-N 0 0 313.470 4.308 20 10 DICDRN CC[C@H]([NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-])[C@@H](O)C(C)C ZINC000840881199 1047350624 /nfs/dbraw/zinc/35/06/24/1047350624.db2.gz GGLMOSHPNPAYOL-LQJRIPTKSA-N 0 0 320.260 4.145 20 10 DICDRN COC1([C@H](C)[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])CCC1 ZINC000840884597 1047352333 /nfs/dbraw/zinc/35/23/33/1047352333.db2.gz NJHRZYWHRYYQPD-MNOVXSKESA-N 0 0 317.351 4.019 20 10 DICDRN CC[C@@H](C)n1ncc(NCc2ccc(N(C)C)cc2C)c1C ZINC000840942218 1047363260 /nfs/dbraw/zinc/36/32/60/1047363260.db2.gz VRPPDJYMTRIANH-CQSZACIVSA-N 0 0 300.450 4.149 20 10 DICDRN Nc1ccc(NCc2c(Cl)cccc2N2CCCC2)cc1 ZINC000841040820 1047372725 /nfs/dbraw/zinc/37/27/25/1047372725.db2.gz ZXOULEKUNLLYTH-UHFFFAOYSA-N 0 0 301.821 4.135 20 10 DICDRN CCC(C)(C)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000726768270 1047381204 /nfs/dbraw/zinc/38/12/04/1047381204.db2.gz VMEREMPJJFIJSQ-UHFFFAOYSA-N 0 0 312.457 4.189 20 10 DICDRN CN(Cc1cscn1)Cc1cc2oc3ccccc3c2cc1O ZINC000726960892 1047394954 /nfs/dbraw/zinc/39/49/54/1047394954.db2.gz HPTAGRLSZPTJLE-UHFFFAOYSA-N 0 0 324.405 4.380 20 10 DICDRN Cc1nc(Cl)cc(NCc2ccc(N3CCCCC3)cc2)n1 ZINC000726966942 1047396466 /nfs/dbraw/zinc/39/64/66/1047396466.db2.gz DMJFFRYMBLOEDI-UHFFFAOYSA-N 0 0 316.836 4.041 20 10 DICDRN C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)Nc1ccc(N)cc1 ZINC000841296063 1047398359 /nfs/dbraw/zinc/39/83/59/1047398359.db2.gz OFLRENKTJNUGKY-SCLBCKFNSA-N 0 0 309.413 4.104 20 10 DICDRN Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Nc2ccc(N)cc2)o1 ZINC000841296511 1047400036 /nfs/dbraw/zinc/40/00/36/1047400036.db2.gz ULMTUBFNPSOOAU-BLLLJJGKSA-N 0 0 313.401 4.175 20 10 DICDRN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2ccc(N)cc2)o1 ZINC000841296514 1047400207 /nfs/dbraw/zinc/40/02/07/1047400207.db2.gz ULMTUBFNPSOOAU-LRDDRELGSA-N 0 0 313.401 4.175 20 10 DICDRN CC(C)[C@@H]1N(C(=O)Nc2ccc(N)cc2)CC12CCCCC2 ZINC000841297435 1047400615 /nfs/dbraw/zinc/40/06/15/1047400615.db2.gz DWERGHPJZDQURR-INIZCTEOSA-N 0 0 301.434 4.091 20 10 DICDRN C[C@H]1CC[C@H](c2ccccc2)N(C(=O)Nc2ccc(N)cc2)C1 ZINC000841299231 1047400649 /nfs/dbraw/zinc/40/06/49/1047400649.db2.gz HYZLXMALFDEZTK-KBXCAEBGSA-N 0 0 309.413 4.274 20 10 DICDRN CC(C)CCOc1ccc(NC(=O)Nc2ccc(N)cc2)cc1 ZINC000841300922 1047401479 /nfs/dbraw/zinc/40/14/79/1047401479.db2.gz WYEUDUNZJAJFEC-UHFFFAOYSA-N 0 0 313.401 4.338 20 10 DICDRN Nc1ccc(NC(=O)N[C@H]2CCCc3sc(Cl)cc32)cc1 ZINC000841299632 1047401732 /nfs/dbraw/zinc/40/17/32/1047401732.db2.gz LSFXIFROBORCFZ-LBPRGKRZSA-N 0 0 321.833 4.183 20 10 DICDRN Nc1ccc(NC(=O)N[C@@H]2CCCc3sc(Cl)cc32)cc1 ZINC000841299630 1047401754 /nfs/dbraw/zinc/40/17/54/1047401754.db2.gz LSFXIFROBORCFZ-GFCCVEGCSA-N 0 0 321.833 4.183 20 10 DICDRN CCc1ccc([C@@H]2CCCN(C(=O)Nc3ccc(N)cc3)C2)cc1 ZINC000841299963 1047401766 /nfs/dbraw/zinc/40/17/66/1047401766.db2.gz OQOXNMUPRVGVCG-QGZVFWFLSA-N 0 0 323.440 4.243 20 10 DICDRN Cc1ccccc1[C@H](NC(=O)Nc1ccc(N)cc1)C(C)(C)C ZINC000841299575 1047402143 /nfs/dbraw/zinc/40/21/43/1047402143.db2.gz JCRLODFPYSGUCQ-KRWDZBQOSA-N 0 0 311.429 4.486 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)c2cscc2C)cc1 ZINC000749317552 1047408788 /nfs/dbraw/zinc/40/87/88/1047408788.db2.gz ICXGHBJVCVJDNF-UHFFFAOYSA-N 0 0 316.470 4.175 20 10 DICDRN CN(C)c1ccc(CN(C)C(=O)CC2CCCCCC2)cc1 ZINC000749879723 1047442941 /nfs/dbraw/zinc/44/29/41/1047442941.db2.gz UCGSSMBJIGWKQI-UHFFFAOYSA-N 0 0 302.462 4.072 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1ccc(Cl)cc1O ZINC000841748274 1047448409 /nfs/dbraw/zinc/44/84/09/1047448409.db2.gz JTXRNQRQHTVMGZ-MEBBXXQBSA-N 0 0 321.779 4.359 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)c1c(C)nn(C)c1C ZINC000841748511 1047448864 /nfs/dbraw/zinc/44/88/64/1047448864.db2.gz ADNHHLTVTVVSJN-MEBBXXQBSA-N 0 0 321.852 4.198 20 10 DICDRN COCCOc1cccc(N[C@H](C)c2ccc(Cl)cc2O)c1 ZINC000841749871 1047449774 /nfs/dbraw/zinc/44/97/74/1047449774.db2.gz ITYVRKPKHQVRDQ-GFCCVEGCSA-N 0 0 321.804 4.244 20 10 DICDRN CO[C@H]1Cc2ccc(N[C@@H](C)c3ccc(Cl)cc3O)cc2C1 ZINC000841751038 1047450182 /nfs/dbraw/zinc/45/01/82/1047450182.db2.gz FDFFALRYOXCIES-ZBEGNZNMSA-N 0 0 317.816 4.332 20 10 DICDRN C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841748746 1047450718 /nfs/dbraw/zinc/45/07/18/1047450718.db2.gz YJBPQKSAIHOARD-RYUDHWBXSA-N 0 0 305.805 4.033 20 10 DICDRN C[C@H](Nc1cccc(CCCO)c1)c1ccc(Cl)cc1O ZINC000841754607 1047451312 /nfs/dbraw/zinc/45/13/12/1047451312.db2.gz SYIYBIZNMNWORI-LBPRGKRZSA-N 0 0 305.805 4.144 20 10 DICDRN C[C@@H](Nc1cccc(CCCO)c1)c1ccc(Cl)cc1O ZINC000841754605 1047451654 /nfs/dbraw/zinc/45/16/54/1047451654.db2.gz SYIYBIZNMNWORI-GFCCVEGCSA-N 0 0 305.805 4.144 20 10 DICDRN Cc1csc([C@@H](C)C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])n1 ZINC000841751742 1047451878 /nfs/dbraw/zinc/45/18/78/1047451878.db2.gz CPRUNGWKGMEZNN-GXSJLCMTSA-N 0 0 310.850 4.265 20 10 DICDRN COC1CCC(CC[NH2+][C@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841754887 1047452303 /nfs/dbraw/zinc/45/23/03/1047452303.db2.gz VGLFALIUNDHDLL-DNOWBOINSA-N 0 0 311.853 4.292 20 10 DICDRN CCOc1ccc(N[C@H](C)c2ccc(Cl)cc2O)cc1CO ZINC000841755398 1047452533 /nfs/dbraw/zinc/45/25/33/1047452533.db2.gz ZPRCWUDEQKDVOH-LLVKDONJSA-N 0 0 321.804 4.110 20 10 DICDRN CC(C)C[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CCO1 ZINC000841753165 1047452549 /nfs/dbraw/zinc/45/25/49/1047452549.db2.gz KKMOSSMWMGCDHW-AEGPPILISA-N 0 0 311.853 4.290 20 10 DICDRN c1cc(N2CCCCC2)ccc1CNc1nc(C2CC2)ns1 ZINC000750021759 1047453131 /nfs/dbraw/zinc/45/31/31/1047453131.db2.gz NTEDKLBZEYCZMS-UHFFFAOYSA-N 0 0 314.458 4.018 20 10 DICDRN CCN(CC)c1ccc(CNc2nc(C(C)C)ns2)cc1 ZINC000750017778 1047453651 /nfs/dbraw/zinc/45/36/51/1047453651.db2.gz HIMKBSCDPMPJHY-UHFFFAOYSA-N 0 0 304.463 4.120 20 10 DICDRN CC(=O)c1cc(Cl)cc(CN(Cc2ccco2)C(C)C)c1O ZINC000750040384 1047455238 /nfs/dbraw/zinc/45/52/38/1047455238.db2.gz IBTBHBQGSFUIJT-UHFFFAOYSA-N 0 0 321.804 4.252 20 10 DICDRN C[C@@H]([NH2+]CC1(CCO)CCCCC1)c1ccc(Cl)cc1[O-] ZINC000841761642 1047455301 /nfs/dbraw/zinc/45/53/01/1047455301.db2.gz ZHMFQMHWQNQBHQ-CYBMUJFWSA-N 0 0 311.853 4.029 20 10 DICDRN CC[C@@H]([NH2+][C@@H]1COCc2ccccc21)c1cccc(Cl)c1[O-] ZINC000841761685 1047455782 /nfs/dbraw/zinc/45/57/82/1047455782.db2.gz RIUABGSPBJWGHC-IAGOWNOFSA-N 0 0 317.816 4.358 20 10 DICDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC001142508866 1047462975 /nfs/dbraw/zinc/46/29/75/1047462975.db2.gz OJRJIUFOEYFMOW-QGZVFWFLSA-N 0 0 303.352 4.398 20 10 DICDRN CC[N@H+](Cc1cccc(Cl)c1)Cc1cc(F)c(F)cc1[O-] ZINC001142530539 1047465316 /nfs/dbraw/zinc/46/53/16/1047465316.db2.gz IQKQJVLRUBQGIK-UHFFFAOYSA-N 0 0 311.759 4.346 20 10 DICDRN COCC1(CC[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])CC1 ZINC000842891463 1047511879 /nfs/dbraw/zinc/51/18/79/1047511879.db2.gz UQDWGCJZTLAOPQ-SNVBAGLBSA-N 0 0 318.244 4.166 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCS[C@@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000842928675 1047513146 /nfs/dbraw/zinc/51/31/46/1047513146.db2.gz LCOJZCGODVTTPP-JOAULVNJSA-N 0 0 306.258 4.244 20 10 DICDRN CC(C)c1ccc(CCc2nc(Cc3ccc(N)cc3)no2)cc1 ZINC000843159188 1047529630 /nfs/dbraw/zinc/52/96/30/1047529630.db2.gz MDSODKGTHLMTPH-UHFFFAOYSA-N 0 0 321.424 4.151 20 10 DICDRN CC(C)(C)c1cccc(CN2CCC[C@H](F)C(F)(F)C2)c1O ZINC001143104465 1047532566 /nfs/dbraw/zinc/53/25/66/1047532566.db2.gz SVOPINKQLXXYNC-AWEZNQCLSA-N 0 0 315.379 4.259 20 10 DICDRN Cc1cccc([C@H](c2noc(Cc3ccc(N)cc3)n2)C(C)C)c1 ZINC000843234147 1047534864 /nfs/dbraw/zinc/53/48/64/1047534864.db2.gz LSJGUUZVAOLNGC-LJQANCHMSA-N 0 0 321.424 4.339 20 10 DICDRN Nc1ccc(N(Cc2ccccc2)C(=O)CCC(F)(F)F)cc1 ZINC001143140770 1047535332 /nfs/dbraw/zinc/53/53/32/1047535332.db2.gz LDEJZOHHAVUPLW-UHFFFAOYSA-N 0 0 322.330 4.145 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000843419186 1047548502 /nfs/dbraw/zinc/54/85/02/1047548502.db2.gz FQKVKNIPZKPTEI-LBPRGKRZSA-N 0 0 323.223 4.084 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000843419185 1047548530 /nfs/dbraw/zinc/54/85/30/1047548530.db2.gz FQKVKNIPZKPTEI-GFCCVEGCSA-N 0 0 323.223 4.084 20 10 DICDRN Cc1ccccc1C1([NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000843419315 1047549045 /nfs/dbraw/zinc/54/90/45/1047549045.db2.gz SQDDFRDCSLSIIY-UHFFFAOYSA-N 0 0 305.780 4.272 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000843421713 1047550368 /nfs/dbraw/zinc/55/03/68/1047550368.db2.gz GLADPTVFSCPKNQ-UHFFFAOYSA-N 0 0 305.780 4.354 20 10 DICDRN Cc1cc(C(=O)NC2(C3CC3)CC2)c(C)n1-c1cccc(C)c1 ZINC001149498319 1047562703 /nfs/dbraw/zinc/56/27/03/1047562703.db2.gz QQDHANXMSOJNHT-UHFFFAOYSA-N 0 0 308.425 4.075 20 10 DICDRN CC(C)(C(=O)NCc1ccccc1O)c1cccc2ccccc21 ZINC001150536913 1047578739 /nfs/dbraw/zinc/57/87/39/1047578739.db2.gz TUCJPASDOXWDJC-UHFFFAOYSA-N 0 0 319.404 4.139 20 10 DICDRN Cc1ccc(F)c2oc(C(=O)N[C@H](C)c3ccccc3O)cc21 ZINC001151892067 1047603387 /nfs/dbraw/zinc/60/33/87/1047603387.db2.gz HNRUIROKLZIEJO-LLVKDONJSA-N 0 0 313.328 4.077 20 10 DICDRN CC[C@H](Cc1ccccc1C)C(=O)N[C@@H](C)c1ccccc1O ZINC001151899839 1047603462 /nfs/dbraw/zinc/60/34/62/1047603462.db2.gz HTGRAGIBZBKLKZ-JKSUJKDBSA-N 0 0 311.425 4.147 20 10 DICDRN C[C@H](NC(=O)c1cc2ccc(F)cc2s1)c1ccccc1O ZINC001151892095 1047603638 /nfs/dbraw/zinc/60/36/38/1047603638.db2.gz IVQLVAWMJUYFBQ-JTQLQIEISA-N 0 0 315.369 4.237 20 10 DICDRN COc1ccc(OC(F)F)c(N[C@H](C)c2cc(C)ccc2O)c1 ZINC000192765042 1047621580 /nfs/dbraw/zinc/62/15/80/1047621580.db2.gz IUZJWIQZVGGJLK-LLVKDONJSA-N 0 0 323.339 4.484 20 10 DICDRN CCN(Cc1ccccc1O)c1ccc2c(Cl)ccnc2n1 ZINC001154889353 1047660520 /nfs/dbraw/zinc/66/05/20/1047660520.db2.gz XBLVUZCYKBVJGB-UHFFFAOYSA-N 0 0 313.788 4.015 20 10 DICDRN CCN(Cc1ccccc1O)c1nccc(-c2ccc(F)cc2)n1 ZINC001154889895 1047661539 /nfs/dbraw/zinc/66/15/39/1047661539.db2.gz KLPJHZBHKDALJR-UHFFFAOYSA-N 0 0 323.371 4.015 20 10 DICDRN CN(C)c1ccc(CN(C)c2nccc3ccc(F)cc32)cc1 ZINC001156920666 1047727345 /nfs/dbraw/zinc/72/73/45/1047727345.db2.gz GYFFKPPKJABMEO-UHFFFAOYSA-N 0 0 309.388 4.076 20 10 DICDRN Cc1cccc2c1ccnc2N(C)Cc1ccc(N(C)C)cc1 ZINC001156924367 1047727359 /nfs/dbraw/zinc/72/73/59/1047727359.db2.gz YTYWAWCTEPJWGF-UHFFFAOYSA-N 0 0 305.425 4.246 20 10 DICDRN CN(C)c1ccc(CN(C)c2nc(Cl)ccc2Cl)cc1 ZINC001156924079 1047727748 /nfs/dbraw/zinc/72/77/48/1047727748.db2.gz OOMYVYOKXKYZMW-UHFFFAOYSA-N 0 0 310.228 4.091 20 10 DICDRN Cc1cccc2ccnc(N(C)Cc3ccc(N(C)C)cc3)c12 ZINC001156928483 1047728159 /nfs/dbraw/zinc/72/81/59/1047728159.db2.gz QXLXHYMFBAACDN-UHFFFAOYSA-N 0 0 305.425 4.246 20 10 DICDRN CC[C@@H]([NH2+][C@H](c1cnn(C)c1)C(C)C)c1cc(Cl)ccc1O ZINC000927069711 1047795196 /nfs/dbraw/zinc/79/51/96/1047795196.db2.gz MPCMMOVSNXQIFS-WBVHZDCISA-N 0 0 321.852 4.217 20 10 DICDRN Fc1nc(F)c(Cl)c(Nc2ccc3c(c2)CCCN3)c1F ZINC001159154552 1047817454 /nfs/dbraw/zinc/81/74/54/1047817454.db2.gz ZFEVXVRTHVRXSB-UHFFFAOYSA-N 0 0 313.710 4.254 20 10 DICDRN CCOc1ccc(N(C)Cc2nc(C(C)(C)C)cs2)cc1 ZINC001197564828 1047844530 /nfs/dbraw/zinc/84/45/30/1047844530.db2.gz NLPJTGDEYKHOKW-UHFFFAOYSA-N 0 0 304.459 4.476 20 10 DICDRN CCOc1ccc(N(C)Cc2noc3c2CC(C)(C)CC3)cc1 ZINC001197563882 1047845336 /nfs/dbraw/zinc/84/53/36/1047845336.db2.gz DHVLECUNDZGDTM-UHFFFAOYSA-N 0 0 314.429 4.225 20 10 DICDRN CC(C)OC(=O)c1ccc(Nc2ccc3c(c2)CCCN3)cc1 ZINC001159507207 1047856252 /nfs/dbraw/zinc/85/62/52/1047856252.db2.gz DZPLWGFDOWOHBL-UHFFFAOYSA-N 0 0 310.397 4.354 20 10 DICDRN Nc1ccc(Nc2c(Br)cc(F)c(F)c2F)cc1 ZINC001159508909 1047857814 /nfs/dbraw/zinc/85/78/14/1047857814.db2.gz YIDJRXMWMMASDP-UHFFFAOYSA-N 0 0 317.108 4.192 20 10 DICDRN CC(C)Oc1ccc(F)c(F)c1Nc1ccc2c(c1)CCN2 ZINC001159523339 1047859281 /nfs/dbraw/zinc/85/92/81/1047859281.db2.gz WNAAKBAHWNDEMN-UHFFFAOYSA-N 0 0 304.340 4.464 20 10 DICDRN COc1c(Nc2ccc3c(c2)CCN3)cccc1C(F)(F)F ZINC001159522177 1047860416 /nfs/dbraw/zinc/86/04/16/1047860416.db2.gz DYPDVZFQNNLDHE-UHFFFAOYSA-N 0 0 308.303 4.426 20 10 DICDRN COc1ccc(OC(F)(F)F)cc1Nc1ccc2c(c1)CCN2 ZINC001159522972 1047860823 /nfs/dbraw/zinc/86/08/23/1047860823.db2.gz RRZIJDFUJMSBLT-UHFFFAOYSA-N 0 0 324.302 4.305 20 10 DICDRN FC(F)(F)COc1ccc(Nc2ccc3c(c2)CCN3)cc1 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Cc1[nH]c2ccccc2c1C1=CCN(c2cc(C)ccn2)CC1 ZINC000555136394 1048280025 /nfs/dbraw/zinc/28/00/25/1048280025.db2.gz XMZKATKYJHYSGR-UHFFFAOYSA-N 0 0 303.409 4.473 20 10 DICDRN COC(Cc1ccccc1Nc1ccc(NC(C)C)cc1)OC ZINC001201497475 1048283791 /nfs/dbraw/zinc/28/37/91/1048283791.db2.gz HRBUMVOEJKPAAQ-UHFFFAOYSA-N 0 0 314.429 4.412 20 10 DICDRN COC(=O)c1ccc(Nc2ccc(NC(C)C)cc2)c(OC)c1 ZINC001201497559 1048284504 /nfs/dbraw/zinc/28/45/04/1048284504.db2.gz IQZKMTPLOCVRTP-UHFFFAOYSA-N 0 0 314.385 4.046 20 10 DICDRN CC(C)Nc1ccc(Nc2ccccc2P(C)(C)=O)cc1 ZINC001201497956 1048285087 /nfs/dbraw/zinc/28/50/87/1048285087.db2.gz PFOSRZBLEKJUOH-UHFFFAOYSA-N 0 0 302.358 4.499 20 10 DICDRN CC(C)Nc1ccc(Nc2cccc(Cn3ccnc3)c2)cc1 ZINC001201497912 1048285414 /nfs/dbraw/zinc/28/54/14/1048285414.db2.gz MCKCCXXKXRJPMT-UHFFFAOYSA-N 0 0 306.413 4.495 20 10 DICDRN COc1ccc(NC(C)=O)cc1Nc1ccc(NC(C)C)cc1 ZINC001201498018 1048286060 /nfs/dbraw/zinc/28/60/60/1048286060.db2.gz QAQJOLDGUYREFV-UHFFFAOYSA-N 0 0 313.401 4.218 20 10 DICDRN CC(C)Nc1ccc(Nc2ccc3c(c2)NC(=O)C3(C)C)cc1 ZINC001201499395 1048286257 /nfs/dbraw/zinc/28/62/57/1048286257.db2.gz LEQQQYFFXNLLSP-UHFFFAOYSA-N 0 0 309.413 4.480 20 10 DICDRN COC(=O)c1ccc(Nc2ccc(NC(C)C)cc2)c(F)c1 ZINC001201498292 1048288050 /nfs/dbraw/zinc/28/80/50/1048288050.db2.gz WYERYYVKDSSOSA-UHFFFAOYSA-N 0 0 302.349 4.176 20 10 DICDRN COCCOc1cccc(Nc2ccc(NC(C)C)cc2)c1 ZINC001201498014 1048288174 /nfs/dbraw/zinc/28/81/74/1048288174.db2.gz PYHBXAYZIDBBPO-UHFFFAOYSA-N 0 0 300.402 4.276 20 10 DICDRN COC(Cc1ccc(Nc2ccc(NC(C)C)cc2)cc1)OC ZINC001201504624 1048290332 /nfs/dbraw/zinc/29/03/32/1048290332.db2.gz GFWMIGLQRRYMBQ-UHFFFAOYSA-N 0 0 314.429 4.412 20 10 DICDRN CC(C)Nc1ccc(Nc2ccc3c(c2)CNC(=O)C3(C)C)cc1 ZINC001201505831 1048290955 /nfs/dbraw/zinc/29/09/55/1048290955.db2.gz RGBWGWAUKDQTHW-UHFFFAOYSA-N 0 0 323.440 4.158 20 10 DICDRN CCOC(=O)Cc1cccc(Nc2ccc(NC(C)C)cc2)c1 ZINC001201505778 1048291235 /nfs/dbraw/zinc/29/12/35/1048291235.db2.gz PHWYWHDUKKIIHU-UHFFFAOYSA-N 0 0 312.413 4.356 20 10 DICDRN COCCNc1cccc(F)c1Nc1ccc(NC(C)C)cc1 ZINC001201505974 1048292636 /nfs/dbraw/zinc/29/26/36/1048292636.db2.gz UHQLFCHKYIOTEF-UHFFFAOYSA-N 0 0 317.408 4.448 20 10 DICDRN COc1ncc(Nc2ccccc2Cc2ccc(N)cc2)s1 ZINC001175394121 1048295528 /nfs/dbraw/zinc/29/55/28/1048295528.db2.gz HJHDGCAFYLWOEP-UHFFFAOYSA-N 0 0 311.410 4.068 20 10 DICDRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N[C@H]1CC=CCC1 ZINC001162558306 1048304421 /nfs/dbraw/zinc/30/44/21/1048304421.db2.gz CUXAYLVPJSRCDQ-HNNXBMFYSA-N 0 0 322.364 4.346 20 10 DICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC1(Cc2ccccc2)CC1 ZINC001201548897 1048305051 /nfs/dbraw/zinc/30/50/51/1048305051.db2.gz BYICKGMIOYENMO-UHFFFAOYSA-N 0 0 319.807 4.297 20 10 DICDRN Cc1ccc(C)n1-c1ccc(NCc2c(C)cc(C)[nH]c2=O)cc1 ZINC001162604704 1048311060 /nfs/dbraw/zinc/31/10/60/1048311060.db2.gz TVZVQHYSHDMRTF-UHFFFAOYSA-N 0 0 321.424 4.424 20 10 DICDRN C[S@@](=O)c1ccc(N(c2ccccc2)c2ccc(N)cc2)cc1 ZINC001175485537 1048323174 /nfs/dbraw/zinc/32/31/74/1048323174.db2.gz XXPGSDFVSGTARJ-HSZRJFAPSA-N 0 0 322.433 4.476 20 10 DICDRN COc1ccc(C(=O)c2ccccc2Nc2cncs2)cc1 ZINC001175502782 1048337854 /nfs/dbraw/zinc/33/78/54/1048337854.db2.gz SSIJETUPLCNILT-UHFFFAOYSA-N 0 0 310.378 4.126 20 10 DICDRN Nc1ccc(Cc2ccccc2Nc2cccc(CO)c2)cc1 ZINC001175513970 1048347868 /nfs/dbraw/zinc/34/78/68/1048347868.db2.gz FFDRSEOWHDSXKJ-UHFFFAOYSA-N 0 0 304.393 4.096 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)c1nc2c(cccc2F)o1 ZINC001162768645 1048354578 /nfs/dbraw/zinc/35/45/78/1048354578.db2.gz BTJGOSFISBAMHK-UHFFFAOYSA-N 0 0 313.376 4.059 20 10 DICDRN Nc1ccc(CNc2nc(Cl)nc3c(Cl)cccc23)cc1 ZINC001162786204 1048360031 /nfs/dbraw/zinc/36/00/31/1048360031.db2.gz UMTMTBMRZCIHPG-UHFFFAOYSA-N 0 0 319.195 4.131 20 10 DICDRN CC[C@H](CC(C)C)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001162800618 1048360824 /nfs/dbraw/zinc/36/08/24/1048360824.db2.gz KDHBBLSKKFCOFP-GOSISDBHSA-N 0 0 316.489 4.365 20 10 DICDRN Nc1ccc(Cc2ccc(Nc3cccc4c[nH]nc43)cc2)cc1 ZINC001175640566 1048387594 /nfs/dbraw/zinc/38/75/94/1048387594.db2.gz MAIQFXNYKPCGKY-UHFFFAOYSA-N 0 0 314.392 4.480 20 10 DICDRN CSc1ncc(Nc2ccccc2Cc2ccc(N)cc2)cn1 ZINC001175649707 1048389488 /nfs/dbraw/zinc/38/94/88/1048389488.db2.gz LDKJGEMTPQEZEL-UHFFFAOYSA-N 0 0 322.437 4.115 20 10 DICDRN C[C@H]1CCCc2ccccc2[C@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001201902383 1048392376 /nfs/dbraw/zinc/39/23/76/1048392376.db2.gz YQILXAWDEMGENB-SGTLLEGYSA-N 0 0 317.379 4.474 20 10 DICDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)Nc1ccccc1 ZINC001201964229 1048413106 /nfs/dbraw/zinc/41/31/06/1048413106.db2.gz MFVBXPPCVVSUSH-SFHVURJKSA-N 0 0 324.424 4.454 20 10 DICDRN C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC000776230535 1048419447 /nfs/dbraw/zinc/41/94/47/1048419447.db2.gz KRMQZPCXOZBFKD-FTLABTOESA-N 0 0 317.816 4.088 20 10 DICDRN COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000776232510 1048432904 /nfs/dbraw/zinc/43/29/04/1048432904.db2.gz ZGPQWPYBLHJGRC-OLZOCXBDSA-N 0 0 319.832 4.336 20 10 DICDRN Cc1ccc(C)c(C[NH2+]Cc2cccc(Br)c2[O-])c1 ZINC000775145705 1048441800 /nfs/dbraw/zinc/44/18/00/1048441800.db2.gz JDSRUNDVOLBDFQ-UHFFFAOYSA-N 0 0 320.230 4.061 20 10 DICDRN CCC1(C)CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000776242775 1048453876 /nfs/dbraw/zinc/45/38/76/1048453876.db2.gz BCMUVABLFKFDOG-HNNXBMFYSA-N 0 0 317.477 4.035 20 10 DICDRN CC(C)[C@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776245121 1048457412 /nfs/dbraw/zinc/45/74/12/1048457412.db2.gz MGFPRAGSCDZPHO-MAUKXSAKSA-N 0 0 317.477 4.034 20 10 DICDRN CCC[C@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776246644 1048460614 /nfs/dbraw/zinc/46/06/14/1048460614.db2.gz SLAIEAIFQZMMTE-YJBOKZPZSA-N 0 0 317.477 4.178 20 10 DICDRN C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000776247537 1048463954 /nfs/dbraw/zinc/46/39/54/1048463954.db2.gz VJURKIAOJJYRDC-RVKKMQEKSA-N 0 0 317.477 4.034 20 10 DICDRN CC(C)[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccc(F)cc1 ZINC001202157839 1048466732 /nfs/dbraw/zinc/46/67/32/1048466732.db2.gz FWKAJSFQKKQHQP-INIZCTEOSA-N 0 0 309.331 4.296 20 10 DICDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2Nc1cc2c(nn1)CCC2 ZINC001163488197 1048477280 /nfs/dbraw/zinc/47/72/80/1048477280.db2.gz SZPSFBCQRZVYFR-LJQANCHMSA-N 0 0 323.440 4.023 20 10 DICDRN CCc1cc(N[C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)ncn1 ZINC001163486154 1048477322 /nfs/dbraw/zinc/47/73/22/1048477322.db2.gz FANVJJWONJTKIO-SFHVURJKSA-N 0 0 311.429 4.097 20 10 DICDRN CC1(c2ccccc2)CC([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001202203099 1048480719 /nfs/dbraw/zinc/48/07/19/1048480719.db2.gz KOWAMSGQVYUSSM-UHFFFAOYSA-N 0 0 319.807 4.395 20 10 DICDRN Cc1cc(Nc2ccccc2C(=O)c2ccncc2)cc(C)c1N ZINC001175938831 1048490323 /nfs/dbraw/zinc/49/03/23/1048490323.db2.gz KBPWCTKFPHUNGF-UHFFFAOYSA-N 0 0 317.392 4.255 20 10 DICDRN Nc1ccc(Cc2ccccc2Nc2cnn(C3CC3)c2)cc1 ZINC001175962842 1048507784 /nfs/dbraw/zinc/50/77/84/1048507784.db2.gz UNUNTHBEXLOVNY-UHFFFAOYSA-N 0 0 304.397 4.135 20 10 DICDRN Cn1c(-c2ccccc2)cnc1SC[C@@H]1CCC(C)(C)CO1 ZINC001188401437 1048511249 /nfs/dbraw/zinc/51/12/49/1048511249.db2.gz WNUKYRFYITXXHH-HNNXBMFYSA-N 0 0 316.470 4.384 20 10 DICDRN O=[N+]([O-])c1cccc2c(Sc3ncc(Cl)s3)nccc21 ZINC001163817311 1048529712 /nfs/dbraw/zinc/52/97/12/1048529712.db2.gz IBLPLDABJGITOX-UHFFFAOYSA-N 0 0 323.786 4.404 20 10 DICDRN Cc1cc(CNc2nc(C)cnc2C)c(C)n1-c1cccc(C)c1 ZINC001163890018 1048545330 /nfs/dbraw/zinc/54/53/30/1048545330.db2.gz ITDWOAUOYLWNNI-UHFFFAOYSA-N 0 0 320.440 4.422 20 10 DICDRN Cc1cc(C)c(CNC(=O)Nc2cc(Cl)ccc2C)c(O)c1 ZINC001188748233 1048552134 /nfs/dbraw/zinc/55/21/34/1048552134.db2.gz DZUQKZPGLYAQGB-UHFFFAOYSA-N 0 0 318.804 4.293 20 10 DICDRN Cc1ccc(Cl)cc1NC(=O)N[C@H](C)c1ccccc1O ZINC001188744350 1048552728 /nfs/dbraw/zinc/55/27/28/1048552728.db2.gz UGCRYVTUMSOFOZ-LLVKDONJSA-N 0 0 304.777 4.237 20 10 DICDRN CCO[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccccc1 ZINC000775199283 1048556618 /nfs/dbraw/zinc/55/66/18/1048556618.db2.gz AWDWQECYYULMLV-INIZCTEOSA-N 0 0 323.795 4.052 20 10 DICDRN CC1(C)Oc2ccc(NCc3cccc(Cl)c3O)cc2O1 ZINC000159736160 1048593169 /nfs/dbraw/zinc/59/31/69/1048593169.db2.gz KTVMWNGFZLVOPB-UHFFFAOYSA-N 0 0 305.761 4.165 20 10 DICDRN COc1ccc(OC)c(CSc2ncc(Cl)s2)c1 ZINC000849998143 1048608423 /nfs/dbraw/zinc/60/84/23/1048608423.db2.gz KQMUEGSEUIIGBO-UHFFFAOYSA-N 0 0 301.820 4.106 20 10 DICDRN CC[C@H]1CCCCN1C(=O)[C@@H](C)Sc1ncc(Cl)s1 ZINC000849997914 1048608625 /nfs/dbraw/zinc/60/86/25/1048608625.db2.gz GXPYWOGUDWFYCW-ZJUUUORDSA-N 0 0 318.895 4.068 20 10 DICDRN O=C(CSc1ncc(Cl)s1)Nc1ccc2c(c1)CCC2 ZINC000849998956 1048610130 /nfs/dbraw/zinc/61/01/30/1048610130.db2.gz UWJDGOYDIWQXMR-UHFFFAOYSA-N 0 0 324.858 4.016 20 10 DICDRN CCC(C)(C)NC(=O)[C@@H](Sc1ncc(Cl)s1)C(C)C ZINC000849999654 1048610310 /nfs/dbraw/zinc/61/03/10/1048610310.db2.gz WCELXPLXUVOLCW-JTQLQIEISA-N 0 0 320.911 4.218 20 10 DICDRN CCCCc1noc([C@H](C)Sc2ncc(Cl)s2)n1 ZINC000849998471 1048610329 /nfs/dbraw/zinc/61/03/29/1048610329.db2.gz GFWXWNVIFBTMEA-ZETCQYMHSA-N 0 0 303.840 4.375 20 10 DICDRN CN(c1ccc(N)cc1)c1cccc2c1cnn2[C@H]1CCCCO1 ZINC001176324326 1048626688 /nfs/dbraw/zinc/62/66/88/1048626688.db2.gz USTDWTUPLAYLKN-LJQANCHMSA-N 0 0 322.412 4.086 20 10 DICDRN Nc1ccc(N(c2ccccc2)c2ccc3nonc3c2)cc1 ZINC001176326832 1048628940 /nfs/dbraw/zinc/62/89/40/1048628940.db2.gz ALSYOUNGRVNMMA-UHFFFAOYSA-N 0 0 302.337 4.275 20 10 DICDRN CCN(CC)c1ccc(/N=N/c2ccccc2C(=O)NC#N)cc1 ZINC001189712274 1048655225 /nfs/dbraw/zinc/65/52/25/1048655225.db2.gz GGDDOPNCXWJSJF-QURGRASLSA-N 0 0 321.384 4.159 20 10 DICDRN C[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000850536811 1048686548 /nfs/dbraw/zinc/68/65/48/1048686548.db2.gz NTKMBMXIMNVWFR-MADCSZMMSA-N 0 0 310.171 4.395 20 10 DICDRN C[C@H]([NH2+]C1CCC2(CC2(F)F)CC1)c1cc(F)cc(F)c1[O-] ZINC000850550686 1048689345 /nfs/dbraw/zinc/68/93/45/1048689345.db2.gz PGSNJBRSRNVCBM-IEBVAXJPSA-N 0 0 317.326 4.289 20 10 DICDRN COc1cc(N[C@H](C)c2ccc(C)cc2O)ccc1OC(F)F ZINC000850562193 1048693272 /nfs/dbraw/zinc/69/32/72/1048693272.db2.gz RLDZQUDCOZAFHV-LLVKDONJSA-N 0 0 323.339 4.484 20 10 DICDRN Cc1cccc2oc(C(=O)NCc3cc(Cl)ccc3O)cc21 ZINC001165508238 1048694840 /nfs/dbraw/zinc/69/48/40/1048694840.db2.gz NWTVPIJVYNEKLR-UHFFFAOYSA-N 0 0 315.756 4.030 20 10 DICDRN Oc1cccc2c1[C@H](Nc1ccc(O[C@@H]3CC3(F)F)cc1)CC2 ZINC000850564938 1048694988 /nfs/dbraw/zinc/69/49/88/1048694988.db2.gz YQCLNGZAWGQYJG-GDBMZVCRSA-N 0 0 317.335 4.278 20 10 DICDRN C[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000850570462 1048697909 /nfs/dbraw/zinc/69/79/09/1048697909.db2.gz HLJJTJZHOSIUID-NXEZZACHSA-N 0 0 318.244 4.165 20 10 DICDRN C[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000850571281 1048698268 /nfs/dbraw/zinc/69/82/68/1048698268.db2.gz OXNBURNMMVNGPD-ZJUUUORDSA-N 0 0 318.244 4.165 20 10 DICDRN CC[C@@H]([NH2+]Cc1cccc(OC)c1C)c1ccc(F)cc1[O-] ZINC000850579688 1048701723 /nfs/dbraw/zinc/70/17/23/1048701723.db2.gz YFKBUZHSJZQIFR-MRXNPFEDSA-N 0 0 303.377 4.089 20 10 DICDRN Cc1cc(C(=O)N[C@H]2C=CCC2)c(C)n1-c1cccc(Cl)c1 ZINC001165667216 1048705707 /nfs/dbraw/zinc/70/57/07/1048705707.db2.gz JTLBALXLFJEGDE-HNNXBMFYSA-N 0 0 314.816 4.196 20 10 DICDRN Cc1cccc(C)c1[C@H]1CCCN1C(=O)Nc1ccc(N)cc1 ZINC000850752862 1048707322 /nfs/dbraw/zinc/70/73/22/1048707322.db2.gz UENLSKFENITWSA-QGZVFWFLSA-N 0 0 309.413 4.255 20 10 DICDRN Cc1cccc(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(N)cc1 ZINC000850752861 1048707370 /nfs/dbraw/zinc/70/73/70/1048707370.db2.gz UENLSKFENITWSA-KRWDZBQOSA-N 0 0 309.413 4.255 20 10 DICDRN CCC[C@H](C)CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000109759748 1048738655 /nfs/dbraw/zinc/73/86/55/1048738655.db2.gz BGIDRIXVCQCJMR-KRWDZBQOSA-N 0 0 316.489 4.462 20 10 DICDRN C[C@@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000775410355 1048782852 /nfs/dbraw/zinc/78/28/52/1048782852.db2.gz RCJOLSUGNCRNPA-GFCCVEGCSA-N 0 0 317.820 4.289 20 10 DICDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1cc(C2CC2)no1 ZINC000851824609 1048804452 /nfs/dbraw/zinc/80/44/52/1048804452.db2.gz JEPQZTKVOHSKMB-UHFFFAOYSA-N 0 0 320.339 4.106 20 10 DICDRN CC[C@H](C)[C@H](C)[N@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C1CC1 ZINC001190913440 1048806281 /nfs/dbraw/zinc/80/62/81/1048806281.db2.gz KZTKIFXXRJXKFK-RYUDHWBXSA-N 0 0 307.409 4.133 20 10 DICDRN CN(C)c1ccc(N=Nc2cccc(C(=O)N3CCCC3)c2)cc1 ZINC001190964925 1048807895 /nfs/dbraw/zinc/80/78/95/1048807895.db2.gz YQZVJQOMXRCKQZ-UHFFFAOYSA-N 0 0 322.412 4.404 20 10 DICDRN C[C@@H](NC(=O)NCCC1=CCCCC1)c1ccc(N(C)C)cc1 ZINC000773611162 1048832562 /nfs/dbraw/zinc/83/25/62/1048832562.db2.gz HFQPCOQCGKTAQV-OAHLLOKOSA-N 0 0 315.461 4.003 20 10 DICDRN C[C@H](NC(=O)N(C)CC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000773616043 1048836624 /nfs/dbraw/zinc/83/66/24/1048836624.db2.gz GQLJQQODUMNXAU-HNNXBMFYSA-N 0 0 317.477 4.035 20 10 DICDRN Cc1ccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775433803 1048843259 /nfs/dbraw/zinc/84/32/59/1048843259.db2.gz FRMMLYLCZGRAIC-GFCCVEGCSA-N 0 0 303.431 4.005 20 10 DICDRN CN(C)c1ccc(/C=C\CNc2cccc3cccnc32)cc1 ZINC001177420499 1048887024 /nfs/dbraw/zinc/88/70/24/1048887024.db2.gz GAPMIYJGXGXORU-XQRVVYSFSA-N 0 0 303.409 4.426 20 10 DICDRN CN(Cc1csc(C2CCCC2)n1)Cc1ccccc1O ZINC000111235161 1048898381 /nfs/dbraw/zinc/89/83/81/1048898381.db2.gz MXPNXCYBFFZCTL-UHFFFAOYSA-N 0 0 302.443 4.138 20 10 DICDRN O=C(NCc1cc2ccccc2cc1O)NC1CCCCCC1 ZINC001191286757 1048916852 /nfs/dbraw/zinc/91/68/52/1048916852.db2.gz MPVHFYIZSCTSMV-UHFFFAOYSA-N 0 0 312.413 4.067 20 10 DICDRN CCCN(Cc1cc(Cl)cc(C(C)=O)c1O)CC(F)(F)F ZINC000042776364 1048919041 /nfs/dbraw/zinc/91/90/41/1048919041.db2.gz WURLUZZOYLQVPM-UHFFFAOYSA-N 0 0 323.742 4.023 20 10 DICDRN Cc1nocc1NCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001203523034 1048919897 /nfs/dbraw/zinc/91/98/97/1048919897.db2.gz WDDOYJJYLNYTNC-UHFFFAOYSA-N 0 0 319.408 4.158 20 10 DICDRN CC[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001177624865 1048924947 /nfs/dbraw/zinc/92/49/47/1048924947.db2.gz XAQOOXBVHVXCGF-HNNXBMFYSA-N 0 0 307.796 4.296 20 10 DICDRN C[C@@H](NC(=O)Nc1ccc2c(c1)CCC2)c1ccc(N(C)C)cc1 ZINC000775449643 1048926813 /nfs/dbraw/zinc/92/68/13/1048926813.db2.gz IYCSJTRTWYTTPG-CQSZACIVSA-N 0 0 323.440 4.124 20 10 DICDRN CCc1ccccc1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775449631 1048928048 /nfs/dbraw/zinc/92/80/48/1048928048.db2.gz ILLLCOYMLSUEIK-AWEZNQCLSA-N 0 0 311.429 4.198 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001203573729 1048932519 /nfs/dbraw/zinc/93/25/19/1048932519.db2.gz GJMWPVHAKYWBCK-AOOOYVTPSA-N 0 0 322.182 4.176 20 10 DICDRN C[C@@]1(F)CCCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203573731 1048933865 /nfs/dbraw/zinc/93/38/65/1048933865.db2.gz GKEDEVRTSVJBMQ-CQSZACIVSA-N 0 0 306.208 4.413 20 10 DICDRN C[N@H+](Cc1ccccc1F)Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203580505 1048935334 /nfs/dbraw/zinc/93/53/34/1048935334.db2.gz PMKHTMYSFVEEFQ-UHFFFAOYSA-N 0 0 314.187 4.470 20 10 DICDRN CCC1(c2nc(Cc3ccc(N)cc3)no2)CCC(F)(F)CC1 ZINC000854134634 1048943223 /nfs/dbraw/zinc/94/32/23/1048943223.db2.gz RNDUGWUJLRJXCC-UHFFFAOYSA-N 0 0 321.371 4.100 20 10 DICDRN CCC[N@H+](Cc1cc(Br)ccc1[O-])[C@@H](C)CC ZINC001203635035 1048945094 /nfs/dbraw/zinc/94/50/94/1048945094.db2.gz GZNGPSYUJJHDAF-NSHDSACASA-N 0 0 300.240 4.165 20 10 DICDRN CCn1cc(/C=C(/Cl)c2nc3c(cccc3F)n2CC)cn1 ZINC000111998984 1048947360 /nfs/dbraw/zinc/94/73/60/1048947360.db2.gz ONUHXKVPRADYOI-XYOKQWHBSA-N 0 0 318.783 4.149 20 10 DICDRN CN(Cc1ccccc1O)C(=O)N[C@H]1CCCC12CCCCC2 ZINC000854270574 1048960443 /nfs/dbraw/zinc/96/04/43/1048960443.db2.gz RHXFWFBOJLKTJQ-KRWDZBQOSA-N 0 0 316.445 4.037 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(F)s1 ZINC000854373500 1048966004 /nfs/dbraw/zinc/96/60/04/1048966004.db2.gz HMKDQCOOZJMHCZ-UHFFFAOYSA-N 0 0 307.390 4.035 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)/C=C(\C)c1ccco1 ZINC000854373564 1048966342 /nfs/dbraw/zinc/96/63/42/1048966342.db2.gz JHDYZGCCYWTDLA-FYWRMAATSA-N 0 0 313.397 4.217 20 10 DICDRN Cc1ccc(Cl)c(NC(=O)N[C@H](C)c2ccccc2O)c1 ZINC001191722181 1048983902 /nfs/dbraw/zinc/98/39/02/1048983902.db2.gz FXSVUSWAAOGELP-LLVKDONJSA-N 0 0 304.777 4.237 20 10 DICDRN Cc1ccc(Cl)c(NC(=O)NCc2c(C)cc(C)cc2O)c1 ZINC001191724179 1048984493 /nfs/dbraw/zinc/98/44/93/1048984493.db2.gz KREOMRSXAMQWCB-UHFFFAOYSA-N 0 0 318.804 4.293 20 10 DICDRN CN(C(=O)C1=CC(=O)CS1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000854952776 1049001768 /nfs/dbraw/zinc/00/17/68/1049001768.db2.gz NQSIZZVROWUVIO-HOTGVXAUSA-N 0 0 315.438 4.252 20 10 DICDRN CCN(C(=O)/C=C/c1scnc1C)c1ccc(C)cc1C ZINC000776769099 1049003990 /nfs/dbraw/zinc/00/39/90/1049003990.db2.gz SKXJLHMPZCUZHZ-CMDGGOBGSA-N 0 0 300.427 4.135 20 10 DICDRN CCN(C(=O)/C=C/c1scnc1C)c1cccc(C)c1C ZINC000776771741 1049005634 /nfs/dbraw/zinc/00/56/34/1049005634.db2.gz KVRGNLQATYGQLW-MDZDMXLPSA-N 0 0 300.427 4.135 20 10 DICDRN CCN(Cc1cnc(-c2ccccc2)o1)c1ccc(OC)cc1 ZINC001191840459 1049011590 /nfs/dbraw/zinc/01/15/90/1049011590.db2.gz ZHFXUYLDTHUPAE-UHFFFAOYSA-N 0 0 308.381 4.377 20 10 DICDRN CCOc1ncccc1C[NH2+][C@H](CC)c1cc(Cl)ccc1O ZINC000775491128 1049013214 /nfs/dbraw/zinc/01/32/14/1049013214.db2.gz AQPXSDXSPPLPAC-OAHLLOKOSA-N 0 0 320.820 4.080 20 10 DICDRN COc1ccc(N(C)Cc2ccc(OC)c(Cl)c2)cc1F ZINC001191890793 1049015254 /nfs/dbraw/zinc/01/52/54/1049015254.db2.gz CUBGOEVXBVODKE-UHFFFAOYSA-N 0 0 309.768 4.133 20 10 DICDRN Cc1ncsc1/C=C/C(=O)N(C)c1cccc2ccccc21 ZINC000776803310 1049028033 /nfs/dbraw/zinc/02/80/33/1049028033.db2.gz VQLYCYFBCOHNOF-ZHACJKMWSA-N 0 0 308.406 4.281 20 10 DICDRN CC[C@@H]([NH2+][C@H](COC)C(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775510252 1049041864 /nfs/dbraw/zinc/04/18/64/1049041864.db2.gz YTESQKKTLXWQIT-CHWSQXEVSA-N 0 0 320.260 4.411 20 10 DICDRN CC[C@@H]([NH2+]CC[C@@H](C)OC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775500799 1049042786 /nfs/dbraw/zinc/04/27/86/1049042786.db2.gz LHGWHMQPQHHVQU-BXKDBHETSA-N 0 0 306.233 4.165 20 10 DICDRN CC[C@@H](C)[C@H](O)C[NH2+][C@@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775504206 1049044868 /nfs/dbraw/zinc/04/48/68/1049044868.db2.gz VPSFGOTUQYFVFX-JIMOISOXSA-N 0 0 320.260 4.147 20 10 DICDRN CCC[C@@](C)(O)C[NH2+][C@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775504111 1049044915 /nfs/dbraw/zinc/04/49/15/1049044915.db2.gz TWABYHXLZWBQEP-IUODEOHRSA-N 0 0 320.260 4.291 20 10 DICDRN CC[C@H](C)[C@H](O)C[NH2+][C@@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775504207 1049045872 /nfs/dbraw/zinc/04/58/72/1049045872.db2.gz VPSFGOTUQYFVFX-TVYUQYBPSA-N 0 0 320.260 4.147 20 10 DICDRN CC[C@H](COC)[NH2+][C@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775509980 1049047418 /nfs/dbraw/zinc/04/74/18/1049047418.db2.gz SYHXSJNVTCEDKW-BXKDBHETSA-N 0 0 306.233 4.165 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)CSC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775509779 1049051982 /nfs/dbraw/zinc/05/19/82/1049051982.db2.gz QLJDVBGJUPNDCG-KWQFWETISA-N 0 0 308.274 4.491 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC1CC(c2ccccc2)C1 ZINC001178554091 1049059107 /nfs/dbraw/zinc/05/91/07/1049059107.db2.gz VDBIVZTWJLVZRX-UHFFFAOYSA-N 0 0 319.807 4.468 20 10 DICDRN Cc1ccc(C)c(C2CCN(C(=O)Nc3ccc(N)cc3)CC2)c1 ZINC000904501677 1049078281 /nfs/dbraw/zinc/07/82/81/1049078281.db2.gz VXIISQOYBIGYMU-UHFFFAOYSA-N 0 0 323.440 4.297 20 10 DICDRN COc1ccc2c(c1)CCCCN2C[C@@H]1CC(C)(C)OC1(C)C ZINC001192315849 1049079953 /nfs/dbraw/zinc/07/99/53/1049079953.db2.gz VPYNEYPDGJVFKG-INIZCTEOSA-N 0 0 317.473 4.432 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CCO[C@@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775523912 1049087043 /nfs/dbraw/zinc/08/70/43/1049087043.db2.gz AYJTVOHRKTVOQI-CWSCBRNRSA-N 0 0 318.244 4.307 20 10 DICDRN Cc1cc(Cc2nc(CC3CC3)no2)c(C)n1-c1ccccc1 ZINC000904610876 1049114341 /nfs/dbraw/zinc/11/43/41/1049114341.db2.gz WZMCHHRFNAIULT-UHFFFAOYSA-N 0 0 307.397 4.020 20 10 DICDRN CN(Cc1ccc(N2CCCC2)cc1)Cc1cc(F)ccc1F ZINC001204218969 1049114697 /nfs/dbraw/zinc/11/46/97/1049114697.db2.gz NJEXMKRHJYJWBG-UHFFFAOYSA-N 0 0 316.395 4.197 20 10 DICDRN CN(C)c1ccc(CN2CCC(F)(F)[C@@H](F)C2)c2ccccc21 ZINC001204233346 1049116219 /nfs/dbraw/zinc/11/62/19/1049116219.db2.gz QIQRROCAZCZVDV-KRWDZBQOSA-N 0 0 322.374 4.085 20 10 DICDRN CCC1(C(=O)N[C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)CCC1 ZINC001179026624 1049124790 /nfs/dbraw/zinc/12/47/90/1049124790.db2.gz GFOOGWKBZFVFNH-KRWDZBQOSA-N 0 0 315.457 4.329 20 10 DICDRN C[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000857081155 1049125904 /nfs/dbraw/zinc/12/59/04/1049125904.db2.gz MHKANSQJJWDEQT-DTWKUNHWSA-N 0 0 309.278 4.107 20 10 DICDRN C[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])[C@H](c2ccco2)C1 ZINC001204270097 1049126289 /nfs/dbraw/zinc/12/62/89/1049126289.db2.gz IWQFVCZVRIZATP-ABAIWWIYSA-N 0 0 307.340 4.237 20 10 DICDRN C[C@H]([NH2+]CC[C@H]1CC1(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000857080913 1049126386 /nfs/dbraw/zinc/12/63/86/1049126386.db2.gz LNBMDUFQZDYFNM-YUMQZZPRSA-N 0 0 310.171 4.395 20 10 DICDRN CCCC[C@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)C(C)C ZINC000857117119 1049129411 /nfs/dbraw/zinc/12/94/11/1049129411.db2.gz VXOIAOACQYIOIJ-HIFRSBDPSA-N 0 0 307.434 4.040 20 10 DICDRN CCN(CC)c1ccc(CNc2cccc3c2OCC3)cc1F ZINC001179159772 1049137841 /nfs/dbraw/zinc/13/78/41/1049137841.db2.gz QWKYAFOGLFWZRB-UHFFFAOYSA-N 0 0 314.404 4.219 20 10 DICDRN CC[C@@H](Nc1ccc2c(c1)ncn2C)c1cc(Cl)ccc1O ZINC000775548073 1049138095 /nfs/dbraw/zinc/13/80/95/1049138095.db2.gz XATDOCQUNNRJBO-CQSZACIVSA-N 0 0 315.804 4.496 20 10 DICDRN c1csc([C@@H]2CCCN2Cc2ccc(N3CCCC3)cc2)n1 ZINC001204321058 1049141988 /nfs/dbraw/zinc/14/19/88/1049141988.db2.gz FWIGUKWUGWAUCZ-KRWDZBQOSA-N 0 0 313.470 4.080 20 10 DICDRN CC[C@@H](Nc1cccc2c1OCO2)c1cc(Cl)ccc1O ZINC000775551197 1049143623 /nfs/dbraw/zinc/14/36/23/1049143623.db2.gz JBHUILHGRWNVIF-GFCCVEGCSA-N 0 0 305.761 4.338 20 10 DICDRN Fc1ccc(C(F)(F)CNCc2ccc3c(c2)CCCO3)cc1 ZINC001179243239 1049147516 /nfs/dbraw/zinc/14/75/16/1049147516.db2.gz NKSJTVRFHHFRQN-UHFFFAOYSA-N 0 0 321.342 4.032 20 10 DICDRN COc1ccc(-n2c(C)cc(-c3nc([C@H]4C[C@@H]4C)no3)c2C)cc1 ZINC000904821440 1049154692 /nfs/dbraw/zinc/15/46/92/1049154692.db2.gz VOLYXHZKBUQJMO-ZBEGNZNMSA-N 0 0 323.396 4.276 20 10 DICDRN Cc1ccc2nc(NC/C=C\c3ccc(N(C)C)cc3)[nH]c2c1 ZINC001179442979 1049165930 /nfs/dbraw/zinc/16/59/30/1049165930.db2.gz JVEKIZNMHLZWKX-PLNGDYQASA-N 0 0 306.413 4.063 20 10 DICDRN CC(C)c1cccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000775567672 1049172625 /nfs/dbraw/zinc/17/26/25/1049172625.db2.gz JLNUGCJJIMODGM-CYBMUJFWSA-N 0 0 314.385 4.275 20 10 DICDRN CC1(C)CCC(CC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000857547731 1049172708 /nfs/dbraw/zinc/17/27/08/1049172708.db2.gz RHHBUFRFXSZOQL-UHFFFAOYSA-N 0 0 309.837 4.268 20 10 DICDRN CCCC[C@H](C)NC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001193074481 1049172994 /nfs/dbraw/zinc/17/29/94/1049172994.db2.gz ZWKXLZWARZOKAD-INIZCTEOSA-N 0 0 317.477 4.055 20 10 DICDRN O=C(NCc1cc(Cl)ccc1O)c1cccc(C2CCC2)c1 ZINC000857548316 1049173689 /nfs/dbraw/zinc/17/36/89/1049173689.db2.gz IVTBEWFOXNMNPT-UHFFFAOYSA-N 0 0 315.800 4.243 20 10 DICDRN CCCOc1ccc(CNCc2nc3c(s2)CCC3)cc1C ZINC001179583872 1049186074 /nfs/dbraw/zinc/18/60/74/1049186074.db2.gz KKULSJQWMVXYCS-UHFFFAOYSA-N 0 0 316.470 4.019 20 10 DICDRN CCN(C)c1ccc(CN[C@H](C)c2c(F)cccc2F)cc1 ZINC000773822030 1049192032 /nfs/dbraw/zinc/19/20/32/1049192032.db2.gz RMBSLNJCYXTGRM-CYBMUJFWSA-N 0 0 304.384 4.272 20 10 DICDRN CC(C)(C)c1ccc(NCc2cc(Cl)cc(F)c2O)cn1 ZINC001179739700 1049200185 /nfs/dbraw/zinc/20/01/85/1049200185.db2.gz FYEDNMSOTDSTIW-UHFFFAOYSA-N 0 0 308.784 4.489 20 10 DICDRN COc1cccc2cc(C[NH2+]Cc3cccc(Cl)c3[O-])oc21 ZINC001179771892 1049201160 /nfs/dbraw/zinc/20/11/60/1049201160.db2.gz PSDWAOGDEAKKJT-UHFFFAOYSA-N 0 0 317.772 4.090 20 10 DICDRN CC(C)Oc1ccc(N(C)Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC001193384011 1049204613 /nfs/dbraw/zinc/20/46/13/1049204613.db2.gz CRNHUOSEZITNLG-UHFFFAOYSA-N 0 0 318.348 4.158 20 10 DICDRN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC3(CCCC3)C2)c1[O-] ZINC001193517920 1049220843 /nfs/dbraw/zinc/22/08/43/1049220843.db2.gz ZGLJNGVWSHMCSM-UHFFFAOYSA-N 0 0 321.848 4.404 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCCC23CC3)cc1 ZINC000858201533 1049225638 /nfs/dbraw/zinc/22/56/38/1049225638.db2.gz OZQJTPJRZJHFOI-GOSISDBHSA-N 0 0 314.473 4.072 20 10 DICDRN CSCCCCCCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000858199678 1049225856 /nfs/dbraw/zinc/22/58/56/1049225856.db2.gz OQOJUOIGXUIHIL-UHFFFAOYSA-N 0 0 322.518 4.025 20 10 DICDRN CCCOc1ccc(NCc2cccc(OC)c2O)cc1C ZINC000858309208 1049239583 /nfs/dbraw/zinc/23/95/83/1049239583.db2.gz IPCPTWATCDNZCP-UHFFFAOYSA-N 0 0 301.386 4.110 20 10 DICDRN C[C@H](Nc1cnn(CCF)c1)c1ccc(N2CCCCC2)cc1 ZINC000858492043 1049264760 /nfs/dbraw/zinc/26/47/60/1049264760.db2.gz SDXUQJYLSXOPTB-HNNXBMFYSA-N 0 0 316.424 4.016 20 10 DICDRN C[C@H]([NH2+]CC1(C(F)(F)F)CCCC1)c1cc(F)cc(F)c1[O-] ZINC000858567434 1049275571 /nfs/dbraw/zinc/27/55/71/1049275571.db2.gz CQBOVAAZRFYLNR-VIFPVBQESA-N 0 0 323.305 4.444 20 10 DICDRN COCc1ccc(N[C@@H](C)c2ccc(C)cc2O)cc1OC ZINC000858568888 1049276806 /nfs/dbraw/zinc/27/68/06/1049276806.db2.gz ZVFYDQZAYOHEMS-ZDUSSCGKSA-N 0 0 301.386 4.029 20 10 DICDRN Cc1ccccc1C(C)(C)NC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180130214 1049279881 /nfs/dbraw/zinc/27/98/81/1049279881.db2.gz BQRYAUIDAYCJBL-NTCAYCPXSA-N 0 0 322.452 4.126 20 10 DICDRN CCC[N@H+](Cc1ccc(F)cc1)Cc1cc(F)cc(F)c1[O-] ZINC001204834447 1049280109 /nfs/dbraw/zinc/28/01/09/1049280109.db2.gz XAFRTEOIBRPVEN-UHFFFAOYSA-N 0 0 309.331 4.222 20 10 DICDRN Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001180142328 1049282718 /nfs/dbraw/zinc/28/27/18/1049282718.db2.gz MXXHATPCCIRZAE-UKRRQHHQSA-N 0 0 317.379 4.357 20 10 DICDRN C[N@H+](CCCc1ccccc1)Cc1cc(Cl)cc(F)c1[O-] ZINC001180121264 1049291559 /nfs/dbraw/zinc/29/15/59/1049291559.db2.gz OSDHBJPWQHTLPE-UHFFFAOYSA-N 0 0 307.796 4.249 20 10 DICDRN CCOc1ccc(C)cc1NC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180126400 1049294241 /nfs/dbraw/zinc/29/42/41/1049294241.db2.gz RBXABYPDUAZFEB-UKTHLTGXSA-N 0 0 324.424 4.112 20 10 DICDRN CN(C)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)N=NC3)cc1 ZINC001180128346 1049294857 /nfs/dbraw/zinc/29/48/57/1049294857.db2.gz KOZHMTAATSIFKN-BJMVGYQFSA-N 0 0 306.369 4.002 20 10 DICDRN Cc1ccc(C(=O)N[C@H](C)c2cccc3ccccc32)c(O)c1O ZINC001180185467 1049297561 /nfs/dbraw/zinc/29/75/61/1049297561.db2.gz ZEXSVJIIIDEZKE-CYBMUJFWSA-N 0 0 321.376 4.050 20 10 DICDRN 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Cc1c(CO)cccc1Nc1ccccc1Cc1ccc(N)cc1 ZINC001211166955 1050503604 /nfs/dbraw/zinc/50/36/04/1050503604.db2.gz JVEYCILLIPABFN-UHFFFAOYSA-N 0 0 318.420 4.404 20 10 DICDRN C[C@@H](C(=O)NCCCSc1nccs1)[C@H](C)C(C)(C)C ZINC001144322366 1050543185 /nfs/dbraw/zinc/54/31/85/1050543185.db2.gz PMZXAZYXPWJULO-NEPJUHHUSA-N 0 0 314.520 4.060 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC[C@H]2C[C@H]21 ZINC001144362765 1050553190 /nfs/dbraw/zinc/55/31/90/1050553190.db2.gz MPCDTLUOLVPWMK-QFBILLFUSA-N 0 0 308.425 4.027 20 10 DICDRN CCOc1ccc([C@H](C)[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000158090322 1050571780 /nfs/dbraw/zinc/57/17/80/1050571780.db2.gz HXCDCNVNPSOBRO-LBPRGKRZSA-N 0 0 305.805 4.295 20 10 DICDRN Nc1ccc(N(Cc2ccccc2)c2cc(F)nc(F)c2)cc1 ZINC001213082791 1050581593 /nfs/dbraw/zinc/58/15/93/1050581593.db2.gz SUHRMWLBLPQJHF-UHFFFAOYSA-N 0 0 311.335 4.280 20 10 DICDRN COc1ccc(N(C)Cc2cnc(-c3ccco3)s2)cc1F ZINC000787272337 1050587876 /nfs/dbraw/zinc/58/78/76/1050587876.db2.gz PRVISUQFUZFTHG-UHFFFAOYSA-N 0 0 318.373 4.187 20 10 DICDRN CCOc1ccc(N(C)Cc2cc(Cl)nc(Cl)c2)cc1 ZINC000739922224 1050595251 /nfs/dbraw/zinc/59/52/51/1050595251.db2.gz CSDBFWMANGBPIE-UHFFFAOYSA-N 0 0 311.212 4.424 20 10 DICDRN CCOc1ccc(N(C)Cc2cc(=O)oc3cc(C)ccc23)cc1 ZINC000739924288 1050595472 /nfs/dbraw/zinc/59/54/72/1050595472.db2.gz POSVZPRPSJWJOT-UHFFFAOYSA-N 0 0 323.392 4.137 20 10 DICDRN O=C(NCC1(c2cccs2)CCCCC1)C1=CC(=O)CS1 ZINC000740127573 1050600813 /nfs/dbraw/zinc/60/08/13/1050600813.db2.gz BJWWXPJSXDYQPU-UHFFFAOYSA-N 0 0 321.467 4.147 20 10 DICDRN Cc1ccc2oc(NCc3ccc(N4CC=CC4)cc3)nc2c1 ZINC000740870938 1050635328 /nfs/dbraw/zinc/63/53/28/1050635328.db2.gz MLXRLJLJXHFJKW-UHFFFAOYSA-N 0 0 305.381 4.125 20 10 DICDRN CC(C)(C)CCCCCC(=O)N1CCc2cccc(O)c2C1 ZINC001144684257 1050657795 /nfs/dbraw/zinc/65/77/95/1050657795.db2.gz ZTAYCUKATWNFLS-UHFFFAOYSA-N 0 0 303.446 4.274 20 10 DICDRN Cn1ccc2cccc(NCc3cc(Cl)cc(F)c3O)c21 ZINC000788268389 1050665123 /nfs/dbraw/zinc/66/51/23/1050665123.db2.gz BHZVSGSEXCOTJJ-UHFFFAOYSA-N 0 0 304.752 4.289 20 10 DICDRN COc1cccc([C@@H](C)Nc2ccccc2OCC(F)F)c1O ZINC000846158964 1050674746 /nfs/dbraw/zinc/67/47/46/1050674746.db2.gz BTUZYVCQCODQPJ-LLVKDONJSA-N 0 0 323.339 4.218 20 10 DICDRN COc1cccc([C@@H](C)Nc2ccc(OCC(F)F)cc2)c1O ZINC000846160063 1050675593 /nfs/dbraw/zinc/67/55/93/1050675593.db2.gz MDBOMQWSOOYAHF-LLVKDONJSA-N 0 0 323.339 4.218 20 10 DICDRN CCOc1ccc(N[C@@H](C)c2cccc(OC)c2O)cc1F ZINC000846159473 1050675762 /nfs/dbraw/zinc/67/57/62/1050675762.db2.gz OYJCGTGHGZQCEZ-NSHDSACASA-N 0 0 305.349 4.112 20 10 DICDRN CCOc1cc(C)ccc1N[C@@H](C)c1cccc(OC)c1O ZINC000846160970 1050676217 /nfs/dbraw/zinc/67/62/17/1050676217.db2.gz XUFLHQGVGRGAHE-ZDUSSCGKSA-N 0 0 301.386 4.281 20 10 DICDRN CCc1ccc(N[C@H](C)c2cccc(OC)c2O)cc1OC ZINC000846168885 1050679822 /nfs/dbraw/zinc/67/98/22/1050679822.db2.gz NGUSXJAGEDVQJU-GFCCVEGCSA-N 0 0 301.386 4.145 20 10 DICDRN COc1cccc([C@H](C)Nc2ccc([C@H]3CCOC3)cc2)c1O ZINC000846171696 1050680885 /nfs/dbraw/zinc/68/08/85/1050680885.db2.gz 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ZINC000741782128 1050737860 /nfs/dbraw/zinc/73/78/60/1050737860.db2.gz PGJSULCQWKYACV-UHFFFAOYSA-N 0 0 324.396 4.314 20 10 DICDRN Cc1cc(C(=O)Nc2ccsc2C)c(C)n1-c1ccccn1 ZINC001171246656 1050739756 /nfs/dbraw/zinc/73/97/56/1050739756.db2.gz LLURWZPFHNEFJV-UHFFFAOYSA-N 0 0 311.410 4.111 20 10 DICDRN COc1cc(Cl)cc(CN2CCc3sccc3[C@H]2C)c1O ZINC000761182488 1050742637 /nfs/dbraw/zinc/74/26/37/1050742637.db2.gz FYAJVCKGZCYTDA-SNVBAGLBSA-N 0 0 323.845 4.235 20 10 DICDRN C[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000788804125 1050748101 /nfs/dbraw/zinc/74/81/01/1050748101.db2.gz UQHYXEDUHBURAF-NXEZZACHSA-N 0 0 323.305 4.497 20 10 DICDRN CCOC[C@@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])C(C)C ZINC000788778691 1050751988 /nfs/dbraw/zinc/75/19/88/1050751988.db2.gz UFIGTGCNVKBMDZ-BXUZGUMPSA-N 0 0 319.367 4.123 20 10 DICDRN CCC(O)(CC)CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788779588 1050753547 /nfs/dbraw/zinc/75/35/47/1050753547.db2.gz XHQWEBMYZHJLMR-NSHDSACASA-N 0 0 319.367 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GQEXLCJQIDGWGJ-ZROIWOOFSA-N 0 0 315.419 4.302 20 10 DICDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)C1=CCCCC1 ZINC001146708024 1050835093 /nfs/dbraw/zinc/83/50/93/1050835093.db2.gz QCBKQHUSEZZYNJ-YWTBVUPUSA-N 0 0 321.384 4.106 20 10 DICDRN CCCCC[C@@H](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000742496196 1050865729 /nfs/dbraw/zinc/86/57/29/1050865729.db2.gz YBJSEUVVNOLCSU-MRXNPFEDSA-N 0 0 304.478 4.318 20 10 DICDRN CN(C(=O)/C=C\c1cnc(C(C)(C)C)s1)c1ccc(F)cc1 ZINC000742561492 1050889773 /nfs/dbraw/zinc/88/97/73/1050889773.db2.gz JGEMTOLEEXBAHQ-KTKRTIGZSA-N 0 0 318.417 4.256 20 10 DICDRN O=C1/C(=C/c2cccc(F)c2)SC(=S)N1c1ccsc1 ZINC000790110095 1050911056 /nfs/dbraw/zinc/91/10/56/1050911056.db2.gz JBSOCWNHHJULKT-GHXNOFRVSA-N 0 0 321.423 4.293 20 10 DICDRN O=C1/C(=C\c2ccccc2F)SC(=S)N1c1ccsc1 ZINC000790107598 1050911856 /nfs/dbraw/zinc/91/18/56/1050911856.db2.gz ISLHGTMZUCSXJL-KPKJPENVSA-N 0 0 321.423 4.293 20 10 DICDRN O=C1/C(=C/c2ccsc2)SC(=S)N1c1ccsc1 ZINC000790109125 1050912151 /nfs/dbraw/zinc/91/21/51/1050912151.db2.gz ZLEFRRAACHOTSN-YHYXMXQVSA-N 0 0 309.462 4.215 20 10 DICDRN O=C1/C(=C\c2cccc(F)c2)SC(=S)N1c1ccsc1 ZINC000790110097 1050912446 /nfs/dbraw/zinc/91/24/46/1050912446.db2.gz JBSOCWNHHJULKT-KPKJPENVSA-N 0 0 321.423 4.293 20 10 DICDRN CO[C@H]1CCOc2c(NCc3cc(Cl)ccc3O)cccc21 ZINC000790487258 1050963037 /nfs/dbraw/zinc/96/30/37/1050963037.db2.gz XBYPVXFKHKLFJI-INIZCTEOSA-N 0 0 319.788 4.128 20 10 DICDRN Cc1cc(CO)ccc1Nc1ccccc1Cc1ccc(N)cc1 ZINC001214669488 1050974746 /nfs/dbraw/zinc/97/47/46/1050974746.db2.gz YAFQKEXTCAHSSY-UHFFFAOYSA-N 0 0 318.420 4.404 20 10 DICDRN Cc1ccc(NC(=O)NCc2c(O)ccc3c2CCCC3)c(C)c1 ZINC000743058504 1050984402 /nfs/dbraw/zinc/98/44/02/1050984402.db2.gz IIZJALBTGPIKGF-UHFFFAOYSA-N 0 0 324.424 4.210 20 10 DICDRN Cc1cccc(NC(=O)NCc2c(O)ccc3c2CCCC3)c1C ZINC000743059115 1050984498 /nfs/dbraw/zinc/98/44/98/1050984498.db2.gz TVCPSQLMHWKBPT-UHFFFAOYSA-N 0 0 324.424 4.210 20 10 DICDRN CC(C)[C@H]([NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-])C(C)(C)O ZINC000790701689 1050987345 /nfs/dbraw/zinc/98/73/45/1050987345.db2.gz MCBLQIKPEYMLDI-OTYXRUKQSA-N 0 0 320.260 4.145 20 10 DICDRN CC[C@H](C)n1ncc(N[C@@H](C)c2cc(OC)ccc2O)c1C ZINC000790740186 1050990114 /nfs/dbraw/zinc/99/01/14/1050990114.db2.gz GASWOCQNAXJXES-RYUDHWBXSA-N 0 0 303.406 4.050 20 10 DICDRN CC[C@@H](C)n1ncc(N[C@H](C)c2cc(F)cc(F)c2O)c1C ZINC000790744247 1050991919 /nfs/dbraw/zinc/99/19/19/1050991919.db2.gz ZORMATMXBPJCDT-NXEZZACHSA-N 0 0 309.360 4.319 20 10 DICDRN Cc1ccccc1[C@@H](O)CSc1ncc(-c2ccccc2)n1C ZINC000743256652 1051002201 /nfs/dbraw/zinc/00/22/01/1051002201.db2.gz OBXJQFAQLCLNEJ-SFHVURJKSA-N 0 0 324.449 4.221 20 10 DICDRN C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)o1 ZINC000790949768 1051007675 /nfs/dbraw/zinc/00/76/75/1051007675.db2.gz ZXXRNZPRPDRFFZ-GXSJLCMTSA-N 0 0 309.768 4.191 20 10 DICDRN Oc1ccc(Cl)c(F)c1CNc1cccc(OC(F)F)c1 ZINC000790952404 1051008243 /nfs/dbraw/zinc/00/82/43/1051008243.db2.gz AXGHJUFTBXRNKZ-UHFFFAOYSA-N 0 0 317.694 4.398 20 10 DICDRN COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790946497 1051008976 /nfs/dbraw/zinc/00/89/76/1051008976.db2.gz CMHOVJDQUUJQFF-LLVKDONJSA-N 0 0 323.795 4.353 20 10 DICDRN Oc1ccc(Cl)c(F)c1CNc1ccc(N2CCCC2)cc1 ZINC000790951260 1051009183 /nfs/dbraw/zinc/00/91/83/1051009183.db2.gz HOZCSTQRKNGJTG-UHFFFAOYSA-N 0 0 320.795 4.397 20 10 DICDRN Cc1ccc2c(c1C)OC[C@H]2[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790959549 1051010466 /nfs/dbraw/zinc/01/04/66/1051010466.db2.gz IAXOOMOCKURBKQ-CQSZACIVSA-N 0 0 321.779 4.025 20 10 DICDRN Cc1cccc2c1CC[C@@H]2[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790959638 1051011441 /nfs/dbraw/zinc/01/14/41/1051011441.db2.gz KDKGXSKNCJONFS-HNNXBMFYSA-N 0 0 305.780 4.270 20 10 DICDRN Cc1ccc(Cl)cc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773000899 1051015051 /nfs/dbraw/zinc/01/50/51/1051015051.db2.gz QKQFUUQMGQOEKE-CYBMUJFWSA-N 0 0 316.832 4.205 20 10 DICDRN C[C@H](NC(=O)c1cccc2ccsc21)c1ccc(N(C)C)cc1 ZINC000773001296 1051015414 /nfs/dbraw/zinc/01/54/14/1051015414.db2.gz SJBIGBSXZKVYGM-ZDUSSCGKSA-N 0 0 324.449 4.458 20 10 DICDRN C[C@H](NC(=O)C1(c2ccccc2)CCC1)c1ccc(N(C)C)cc1 ZINC000773007805 1051017170 /nfs/dbraw/zinc/01/71/70/1051017170.db2.gz KXXUTDADDGKEAK-INIZCTEOSA-N 0 0 322.452 4.052 20 10 DICDRN COc1c(Cl)cccc1NCc1c(O)ccc(Cl)c1F ZINC000790976237 1051018159 /nfs/dbraw/zinc/01/81/59/1051018159.db2.gz HMKPJCLXWMNDPG-UHFFFAOYSA-N 0 0 316.159 4.459 20 10 DICDRN Cc1cc(NCc2c(O)ccc(Cl)c2F)ccc1N(C)C ZINC000790976704 1051018376 /nfs/dbraw/zinc/01/83/76/1051018376.db2.gz YWFNBWFNAOLCEQ-UHFFFAOYSA-N 0 0 308.784 4.171 20 10 DICDRN C[C@H](NC(=O)c1cccc(C(F)F)c1)c1ccc(N(C)C)cc1 ZINC000773009202 1051019039 /nfs/dbraw/zinc/01/90/39/1051019039.db2.gz PKXOVSGJUNRIOJ-LBPRGKRZSA-N 0 0 318.367 4.181 20 10 DICDRN C[C@H](NC(=O)C1CCC(C)(C)CC1)c1ccc(N(C)C)cc1 ZINC000773008056 1051019259 /nfs/dbraw/zinc/01/92/59/1051019259.db2.gz BJBHBPYNBNNCLK-AWEZNQCLSA-N 0 0 302.462 4.146 20 10 DICDRN Cc1cc(NCc2c(O)ccc(Cl)c2F)nn1[C@@H](C)C1CC1 ZINC000790986541 1051020703 /nfs/dbraw/zinc/02/07/03/1051020703.db2.gz PIFBVDZDLQAYJX-JTQLQIEISA-N 0 0 323.799 4.273 20 10 DICDRN C[C@H](NC(=O)c1cc2occc2s1)c1ccc(N(C)C)cc1 ZINC000773021161 1051026684 /nfs/dbraw/zinc/02/66/84/1051026684.db2.gz ZFUCRBGNGOINEW-NSHDSACASA-N 0 0 314.410 4.051 20 10 DICDRN Cc1ccccc1[C@@H](C)CC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773020900 1051026698 /nfs/dbraw/zinc/02/66/98/1051026698.db2.gz YAGRAQQXVHNFJH-DLBZAZTESA-N 0 0 324.468 4.432 20 10 DICDRN C[C@@H](NC(=O)c1cc(Cl)ccc1F)c1ccc(N(C)C)cc1 ZINC000773021019 1051026874 /nfs/dbraw/zinc/02/68/74/1051026874.db2.gz QPDDXESFALEVFD-LLVKDONJSA-N 0 0 320.795 4.036 20 10 DICDRN c1cn(-c2ccccc2)c(COc2ccc(N3CCCC3)cc2)n1 ZINC000791411887 1051047695 /nfs/dbraw/zinc/04/76/95/1051047695.db2.gz FEZKNCDNFDNPMX-UHFFFAOYSA-N 0 0 319.408 4.052 20 10 DICDRN C[C@@H]1C[C@H]1[C@H](NC(=O)C1=CC(=O)CS1)c1ccc(Cl)cc1 ZINC000743711593 1051058841 /nfs/dbraw/zinc/05/88/41/1051058841.db2.gz AMPIRHMCBDLNNT-XXLQHYSLSA-N 0 0 321.829 4.234 20 10 DICDRN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C2=CC(=O)CS2)o1 ZINC000743810767 1051065074 /nfs/dbraw/zinc/06/50/74/1051065074.db2.gz KKODGHQMOGYIQJ-RISCZKNCSA-N 0 0 319.426 4.223 20 10 DICDRN CCc1ncc(Cl)nc1NCc1cc2ccccc2cc1O ZINC001171399855 1051086048 /nfs/dbraw/zinc/08/60/48/1051086048.db2.gz NSDSAFQXOIMBBW-UHFFFAOYSA-N 0 0 313.788 4.163 20 10 DICDRN Oc1cccc(-c2nc(-c3cc(Cl)ccc3Cl)no2)c1O ZINC001215145700 1051088274 /nfs/dbraw/zinc/08/82/74/1051088274.db2.gz CWVNDCFQIZFFBC-UHFFFAOYSA-N 0 0 323.135 4.122 20 10 DICDRN CC[C@H](C)Oc1nccnc1NCc1cc2ccccc2cc1O ZINC001171402132 1051088642 /nfs/dbraw/zinc/08/86/42/1051088642.db2.gz GGCKSXAIXAWRCB-ZDUSSCGKSA-N 0 0 323.396 4.125 20 10 DICDRN CC(C)Oc1cc(NCc2cc3ccccc3cc2O)ccn1 ZINC001171405533 1051092464 /nfs/dbraw/zinc/09/24/64/1051092464.db2.gz ZHCKNYNGIYCWHA-UHFFFAOYSA-N 0 0 308.381 4.340 20 10 DICDRN Oc1cc2ccccc2cc1CNc1nccc2cccnc21 ZINC001171405441 1051092770 /nfs/dbraw/zinc/09/27/70/1051092770.db2.gz VBGFWLNCNVFQSD-UHFFFAOYSA-N 0 0 301.349 4.101 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)c2ncccc2C)cc1 ZINC000791892892 1051101895 /nfs/dbraw/zinc/10/18/95/1051101895.db2.gz GOQGSTQYMHCHJC-UHFFFAOYSA-N 0 0 319.408 4.074 20 10 DICDRN CC[C@@H](Nc1cc2c(cc1Cl)OCO2)c1ccccc1O ZINC000036969910 1051103747 /nfs/dbraw/zinc/10/37/47/1051103747.db2.gz MUADQGPCAUWASJ-GFCCVEGCSA-N 0 0 305.761 4.338 20 10 DICDRN Cc1cccc(CN(Cc2c(F)cccc2F)C2CC2)c1O ZINC000792183478 1051123556 /nfs/dbraw/zinc/12/35/56/1051123556.db2.gz OPOIOCIHTGFOTL-UHFFFAOYSA-N 0 0 303.352 4.143 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CCC2(CCCCC2)O1 ZINC000792192033 1051125793 /nfs/dbraw/zinc/12/57/93/1051125793.db2.gz JLHCLQLJMWDAJJ-CQSZACIVSA-N 0 0 309.837 4.017 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000792191888 1051126588 /nfs/dbraw/zinc/12/65/88/1051126588.db2.gz DMRUOARAERAQMN-UHFFFAOYSA-N 0 0 305.780 4.352 20 10 DICDRN CC[C@@H](C)n1ncc(NCc2cc(Cl)cc(F)c2O)c1C ZINC000792192877 1051127105 /nfs/dbraw/zinc/12/71/05/1051127105.db2.gz PDLPSDPHRZYWFF-SECBINFHSA-N 0 0 311.788 4.273 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1OC)c1ccc(F)cc1[O-] ZINC000796695871 1051132649 /nfs/dbraw/zinc/13/26/49/1051132649.db2.gz PZRGKPIQEFIGBW-BDJLRTHQSA-N 0 0 321.367 4.481 20 10 DICDRN CCC[C@H](CC)NC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000744305781 1051151690 /nfs/dbraw/zinc/15/16/90/1051151690.db2.gz TWJPKWZGIOLYIM-KRWDZBQOSA-N 0 0 319.493 4.253 20 10 DICDRN O=C(OCc1ccon1)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC000744550268 1051189846 /nfs/dbraw/zinc/18/98/46/1051189846.db2.gz HSHYKXSOVVYXHK-UHFFFAOYSA-N 0 0 323.308 4.153 20 10 DICDRN Cc1ccc(C(=O)N[C@H](C)c2ccccc2O)c(Cl)c1C ZINC001171723562 1051200595 /nfs/dbraw/zinc/20/05/95/1051200595.db2.gz UWLYWEVZABRWSG-GFCCVEGCSA-N 0 0 303.789 4.153 20 10 DICDRN Cc1c2cccc(C)c2oc1C(=O)N[C@@H](C)c1ccccc1O ZINC001171730951 1051201880 /nfs/dbraw/zinc/20/18/80/1051201880.db2.gz UGMUCSOJWBFRMD-ZDUSSCGKSA-N 0 0 309.365 4.246 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccnc2C)cc1 ZINC000744774777 1051203711 /nfs/dbraw/zinc/20/37/11/1051203711.db2.gz ODMOASBCGJJVHG-UHFFFAOYSA-N 0 0 305.381 4.050 20 10 DICDRN CC(C)c1ccc(C(=O)[C@H](C)OC(=O)C2=CC(=O)CS2)cc1 ZINC000745001844 1051215095 /nfs/dbraw/zinc/21/50/95/1051215095.db2.gz BTHGKTCTUZXGGI-NSHDSACASA-N 0 0 318.394 4.005 20 10 DICDRN Cc1ccc(NCc2ccc(N(C)C)cc2C(F)(F)F)nc1 ZINC000792921680 1051228201 /nfs/dbraw/zinc/22/82/01/1051228201.db2.gz JCTFPRMJDABXIF-UHFFFAOYSA-N 0 0 309.335 4.087 20 10 DICDRN CSc1ccccc1C[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000793231714 1051263285 /nfs/dbraw/zinc/26/32/85/1051263285.db2.gz HQXSNRYZRDRNLK-UHFFFAOYSA-N 0 0 307.846 4.400 20 10 DICDRN CCC[C@@H](CC)NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000745785982 1051286591 /nfs/dbraw/zinc/28/65/91/1051286591.db2.gz PGMLTGVHDYDIOK-QGZVFWFLSA-N 0 0 319.493 4.251 20 10 DICDRN COc1ccc(N(CC(C)C)C[C@@H](O)c2ccccc2F)cc1 ZINC000746170874 1051334813 /nfs/dbraw/zinc/33/48/13/1051334813.db2.gz XOVWMTGUJXRCBB-LJQANCHMSA-N 0 0 317.404 4.030 20 10 DICDRN Cc1ccc(F)c(Nc2ccccc2C(=O)c2ccncc2)c1O ZINC001215742435 1051337767 /nfs/dbraw/zinc/33/77/67/1051337767.db2.gz FKQSNCZKGQBJPE-UHFFFAOYSA-N 0 0 322.339 4.209 20 10 DICDRN CC[C@@H](CC1CCCCC1)C(=O)NCc1ccc(OC)cc1O ZINC000794391177 1051373130 /nfs/dbraw/zinc/37/31/30/1051373130.db2.gz UYLUBYSZJQULKT-HNNXBMFYSA-N 0 0 319.445 4.014 20 10 DICDRN CCCCCC[C@H](C)CC(=O)NCc1ccc(OC)cc1O ZINC000794380602 1051373358 /nfs/dbraw/zinc/37/33/58/1051373358.db2.gz FGFWIUNSRKJXAL-AWEZNQCLSA-N 0 0 307.434 4.014 20 10 DICDRN c1cc2cc(NCc3ccc(N4CCCCC4)cc3)ncc2[nH]1 ZINC000804386935 1051378686 /nfs/dbraw/zinc/37/86/86/1051378686.db2.gz JSHLEWYIRQRYSP-UHFFFAOYSA-N 0 0 306.413 4.165 20 10 DICDRN CN(C)c1ccc2c(c1)OCCN2Cc1ccc(C(F)F)cc1 ZINC001168858734 1051452668 /nfs/dbraw/zinc/45/26/68/1051452668.db2.gz GZKMTKWMLGLFQO-UHFFFAOYSA-N 0 0 318.367 4.089 20 10 DICDRN C[C@@H](Nc1ncccc1Br)c1ccc(N(C)C)cc1 ZINC000804622055 1051496845 /nfs/dbraw/zinc/49/68/45/1051496845.db2.gz QPFWVICNLPKJOG-LLVKDONJSA-N 0 0 320.234 4.083 20 10 DICDRN CC(C)c1snnc1-c1nc(-c2ccc(F)c(Cl)c2)no1 ZINC001212686364 1051530712 /nfs/dbraw/zinc/53/07/12/1051530712.db2.gz MESSEQXINVGXFF-UHFFFAOYSA-N 0 0 324.768 4.171 20 10 DICDRN Cc1ccc(-c2noc(-c3nnsc3C(C)C)n2)c(Cl)c1 ZINC001212687262 1051532121 /nfs/dbraw/zinc/53/21/21/1051532121.db2.gz JZRJLXTVEUZHFF-UHFFFAOYSA-N 0 0 320.805 4.340 20 10 DICDRN CCc1cc(-c2noc(-c3nnsc3C(C)C)n2)ccc1F ZINC001212687424 1051532865 /nfs/dbraw/zinc/53/28/65/1051532865.db2.gz RYOXPQPOAMORJV-UHFFFAOYSA-N 0 0 318.377 4.080 20 10 DICDRN CCC(CC)[C@@H](C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001129819687 1051533710 /nfs/dbraw/zinc/53/37/10/1051533710.db2.gz KTNSNFMMWOPBDL-HZPDHXFCSA-N 0 0 318.505 4.181 20 10 DICDRN CC(C)c1snnc1-c1nc(-c2cccc3ccoc32)no1 ZINC001212687442 1051534509 /nfs/dbraw/zinc/53/45/09/1051534509.db2.gz SYJUWCNWWNPIOA-UHFFFAOYSA-N 0 0 312.354 4.125 20 10 DICDRN Cc1ccc(C)n1-c1ccc(-c2noc(-c3ccc[nH]3)n2)cc1 ZINC001212714475 1051639122 /nfs/dbraw/zinc/63/91/22/1051639122.db2.gz ZBACPQKGRWDORO-UHFFFAOYSA-N 0 0 304.353 4.139 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CC23CCCC3)cc1 ZINC000747294962 1051712210 /nfs/dbraw/zinc/71/22/10/1051712210.db2.gz QXHXQULLVLBXHD-SFHVURJKSA-N 0 0 314.473 4.072 20 10 DICDRN COc1c(O)cccc1Nc1ccc(Cc2ccc(N)cc2)cc1 ZINC001216352769 1051715656 /nfs/dbraw/zinc/71/56/56/1051715656.db2.gz SQCUMOOLXNIOMZ-UHFFFAOYSA-N 0 0 320.392 4.317 20 10 DICDRN CC[C@H]([NH2+]Cc1c(C)nn(CC)c1C)c1cccc(Cl)c1[O-] ZINC000806137860 1051736709 /nfs/dbraw/zinc/73/67/09/1051736709.db2.gz SSJGLVYOLSDWMJ-INIZCTEOSA-N 0 0 321.852 4.120 20 10 DICDRN CC[C@H]([NH2+]C[C@H](O)C1CCCCC1)c1cccc(Cl)c1[O-] ZINC000806137263 1051737774 /nfs/dbraw/zinc/73/77/74/1051737774.db2.gz MINFUZFUQJSLRJ-HOTGVXAUSA-N 0 0 311.853 4.028 20 10 DICDRN CC[C@H]([NH2+]CC[C@H](C)OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806136588 1051738062 /nfs/dbraw/zinc/73/80/62/1051738062.db2.gz FKNHZKUJHVOSCK-ZANVPECISA-N 0 0 306.233 4.165 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cc(Cl)cc(Cl)c1[O-] ZINC000806139707 1051739040 /nfs/dbraw/zinc/73/90/40/1051739040.db2.gz QPRNRQIYVRKUJV-BFHYXJOUSA-N 0 0 318.244 4.043 20 10 DICDRN CC[C@@H](C)[C@H](O)C[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806138885 1051739131 /nfs/dbraw/zinc/73/91/31/1051739131.db2.gz DKZAHDUUGRJAME-BIGNPOOSSA-N 0 0 320.260 4.147 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)CC(F)(F)F)cc1 ZINC000766927681 1051741337 /nfs/dbraw/zinc/74/13/37/1051741337.db2.gz PITCKHDNZJKIKN-LLVKDONJSA-N 0 0 324.346 4.165 20 10 DICDRN CC[C@H]([NH2+]C[C@@]1(C)CCOC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806139513 1051742198 /nfs/dbraw/zinc/74/21/98/1051742198.db2.gz OXAJIRPPJWQIHG-DZGCQCFKSA-N 0 0 318.244 4.166 20 10 DICDRN CC[C@@H]([NH2+]C[C@H](CO)C(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806169643 1051745689 /nfs/dbraw/zinc/74/56/89/1051745689.db2.gz OPJNXTYLUIQRMY-QMTHXVAHSA-N 0 0 320.260 4.004 20 10 DICDRN CC[C@H]([NH2+]C[C@H](CO)C(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000806169535 1051746091 /nfs/dbraw/zinc/74/60/91/1051746091.db2.gz MUKQFWDSKIUYLD-MFKMUULPSA-N 0 0 320.260 4.004 20 10 DICDRN CC[C@@H]([NH2+]CCc1sc(C)nc1C)c1cccc(Cl)c1[O-] ZINC000806139316 1051747534 /nfs/dbraw/zinc/74/75/34/1051747534.db2.gz NPXVSUGFRSOEAA-CQSZACIVSA-N 0 0 324.877 4.402 20 10 DICDRN CC[C@H]([NH2+]C[C@@H](CCO)CC(C)C)c1cccc(Cl)c1[O-] ZINC000806141979 1051750453 /nfs/dbraw/zinc/75/04/53/1051750453.db2.gz MZTFRAQTTUMJRH-BBRMVZONSA-N 0 0 313.869 4.131 20 10 DICDRN CC[C@@H]([NH2+][C@H](CCO)C(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806141509 1051750855 /nfs/dbraw/zinc/75/08/55/1051750855.db2.gz KGSIXWRTDDIWMV-ZIAGYGMSSA-N 0 0 320.260 4.147 20 10 DICDRN CC[C@H]([NH2+]Cc1nccn1CC(C)C)c1cccc(Cl)c1[O-] ZINC000806141423 1051750956 /nfs/dbraw/zinc/75/09/56/1051750956.db2.gz SJTNONSIFYSVOX-HNNXBMFYSA-N 0 0 321.852 4.139 20 10 DICDRN CC[C@@H]([NH2+]CC(C)(C)[C@H](O)C(C)C)c1cccc(Cl)c1[O-] ZINC000806147976 1051753979 /nfs/dbraw/zinc/75/39/79/1051753979.db2.gz BQTRLGBBQBAFBV-GDBMZVCRSA-N 0 0 313.869 4.129 20 10 DICDRN CC[C@H](Nc1cnn(CC(C)C)c1)c1cccc(Cl)c1O ZINC000806155146 1051758557 /nfs/dbraw/zinc/75/85/57/1051758557.db2.gz NPTBJNZHQARELY-HNNXBMFYSA-N 0 0 307.825 4.461 20 10 DICDRN CC[C@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1cccc(Cl)c1[O-] ZINC000806158567 1051760632 /nfs/dbraw/zinc/76/06/32/1051760632.db2.gz MKEHUWDZNJKULP-WWGRRREGSA-N 0 0 311.853 4.292 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)c1ccncc1OC)c1cccc(Cl)c1[O-] ZINC000806161514 1051763319 /nfs/dbraw/zinc/76/33/19/1051763319.db2.gz QUEXQVKZNPGOPT-NHYWBVRUSA-N 0 0 320.820 4.251 20 10 DICDRN CC[C@H]([NH2+]CCC[C@H]1CCCCO1)c1cccc(Cl)c1[O-] ZINC000806160622 1051763416 /nfs/dbraw/zinc/76/34/16/1051763416.db2.gz UCBPOJFXGPITOV-CJNGLKHVSA-N 0 0 311.853 4.436 20 10 DICDRN CC[C@@H]([NH2+]C[C@H]1CCSC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806162644 1051764437 /nfs/dbraw/zinc/76/44/37/1051764437.db2.gz CFCLFWBQTIEOBH-NOZJJQNGSA-N 0 0 320.285 4.493 20 10 DICDRN CC[C@H]([NH2+]C[C@H]1CCC=CO1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806162206 1051764905 /nfs/dbraw/zinc/76/49/05/1051764905.db2.gz YJLMEBSLOHQCNH-RISCZKNCSA-N 0 0 316.228 4.432 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H]1CCSC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806162646 1051765375 /nfs/dbraw/zinc/76/53/75/1051765375.db2.gz CFCLFWBQTIEOBH-TVQRCGJNSA-N 0 0 320.285 4.493 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806166570 1051766957 /nfs/dbraw/zinc/76/69/57/1051766957.db2.gz UDDIVJHIPOIAOU-AQUOVQTQSA-N 0 0 320.285 4.491 20 10 DICDRN CC[C@H]([NH2+]CC1=CCCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000806178191 1051773174 /nfs/dbraw/zinc/77/31/74/1051773174.db2.gz PKAORTYOWDRKHJ-ZDUSSCGKSA-N 0 0 316.228 4.086 20 10 DICDRN O=C(c1ccccc1)c1ccccc1Nc1cc(F)cc(CO)c1 ZINC001212746489 1051774249 /nfs/dbraw/zinc/77/42/49/1051774249.db2.gz JKWHIUAJQKJLBF-UHFFFAOYSA-N 0 0 321.351 4.293 20 10 DICDRN FC(F)(F)CCc1noc(-c2ccc(-n3cccc3)cc2)n1 ZINC000761602448 1051791271 /nfs/dbraw/zinc/79/12/71/1051791271.db2.gz MUFPSHCNTOXABE-UHFFFAOYSA-N 0 0 307.275 4.022 20 10 DICDRN Cc1cc(CO)cc(N(Cc2ccccc2)c2ccc(N)cc2)c1 ZINC001212756939 1051800753 /nfs/dbraw/zinc/80/07/53/1051800753.db2.gz 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CCCN(C(=O)/C=C\c1cncc(C)c1)c1ccc(Cl)cc1 ZINC001360276049 1053208811 /nfs/dbraw/zinc/20/88/11/1053208811.db2.gz XHYUIWRWVMZSRV-WTKPLQERSA-N 0 0 314.816 4.500 20 10 DICDRN C[C@H]1CCCC[C@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001351672129 1053209302 /nfs/dbraw/zinc/20/93/02/1053209302.db2.gz CPCBJZPWBQEQKK-QFBILLFUSA-N 0 0 314.473 4.072 20 10 DICDRN C[C@@H]1CCCC[C@@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001351672120 1053209320 /nfs/dbraw/zinc/20/93/20/1053209320.db2.gz CPCBJZPWBQEQKK-APWZRJJASA-N 0 0 314.473 4.072 20 10 DICDRN CCN(Cc1ccccc1)c1ccc(CNc2nnc(C)o2)cc1 ZINC000181494251 1053221944 /nfs/dbraw/zinc/22/19/44/1053221944.db2.gz PNQWSSIPNLIWCC-UHFFFAOYSA-N 0 0 322.412 4.017 20 10 DICDRN Oc1cc(Cl)c(Cl)cc1CN1CCc2ccsc2C1 ZINC001236795934 1053258026 /nfs/dbraw/zinc/25/80/26/1053258026.db2.gz KVCYSSUSHLVSBL-UHFFFAOYSA-N 0 0 314.237 4.319 20 10 DICDRN COCC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236797262 1053264784 /nfs/dbraw/zinc/26/47/84/1053264784.db2.gz XAJHQRBNPNAFGP-LBPRGKRZSA-N 0 0 318.244 4.090 20 10 DICDRN CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2ccsc2)c1O ZINC000750817816 1053290987 /nfs/dbraw/zinc/29/09/87/1053290987.db2.gz VVNHBZJHBHARCU-MRXNPFEDSA-N 0 0 319.401 4.133 20 10 DICDRN Cc1csc(CN2CCCc3cc(OC(F)F)ccc32)n1 ZINC000763501297 1053292099 /nfs/dbraw/zinc/29/20/99/1053292099.db2.gz QORBJWVZDZTYKG-UHFFFAOYSA-N 0 0 310.369 4.006 20 10 DICDRN CC(C)(C)Oc1c(F)cc(NCc2ccccc2O)cc1F ZINC000181841239 1053295861 /nfs/dbraw/zinc/29/58/61/1053295861.db2.gz WVJXNMDETDVWNI-UHFFFAOYSA-N 0 0 307.340 4.460 20 10 DICDRN CC[C@@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-])c1ccccc1 ZINC000774848011 1053318892 /nfs/dbraw/zinc/31/88/92/1053318892.db2.gz RCGVOOHJHSKKRB-QGZVFWFLSA-N 0 0 317.816 4.489 20 10 DICDRN CCCC1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC001320390178 1053328553 /nfs/dbraw/zinc/32/85/53/1053328553.db2.gz JRNGCVWSHGIWDW-OAHLLOKOSA-N 0 0 317.477 4.035 20 10 DICDRN C[C@@H]([NH2+]Cc1cccc(Cl)c1F)c1cc(F)cc(F)c1[O-] ZINC001320412027 1053332909 /nfs/dbraw/zinc/33/29/09/1053332909.db2.gz 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CC[C@H]1CCC[C@@H]1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001533907048 1060064890 /nfs/dbraw/zinc/06/48/90/1060064890.db2.gz BEPUHEMRWAGEMX-LPHOPBHVSA-N 0 0 310.441 4.403 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)C2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001525918287 1060076799 /nfs/dbraw/zinc/07/67/99/1060076799.db2.gz GTLOZQWFZLJCDZ-HOTGVXAUSA-N 0 0 316.489 4.221 20 10 DICDRN Cc1ccccc1O[C@@H](C)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001560354711 1060142669 /nfs/dbraw/zinc/14/26/69/1060142669.db2.gz ZJRMFCUUUMZZHB-LBPRGKRZSA-N 0 0 323.795 4.050 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2C[C@H]2C(C)C)cc1 ZINC001526158084 1060147966 /nfs/dbraw/zinc/14/79/66/1060147966.db2.gz OGCUNGPOSUJPOM-HKUYNNGSSA-N 0 0 310.441 4.116 20 10 DICDRN CC[C@@H](CC(C)C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001526187081 1060153551 /nfs/dbraw/zinc/15/35/51/1060153551.db2.gz XUYBVXLRFHFPQG-KRWDZBQOSA-N 0 0 316.489 4.316 20 10 DICDRN Cn1cnc2cc(NCc3c(F)ccc(F)c3Cl)ccc21 ZINC001560379053 1060165271 /nfs/dbraw/zinc/16/52/71/1060165271.db2.gz 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ZINC001560686289 1060531295 /nfs/dbraw/zinc/53/12/95/1060531295.db2.gz WUIAEBJCDLJKDT-UHFFFAOYSA-N 0 0 323.795 4.303 20 10 DICDRN Cc1cc(N(C)C)ccc1CN(C)Cc1c(F)cccc1Cl ZINC001560730023 1060596609 /nfs/dbraw/zinc/59/66/09/1060596609.db2.gz IZGARNNKJWPBQA-UHFFFAOYSA-N 0 0 320.839 4.486 20 10 DICDRN C[C@H]1CCCc2ccccc2[C@H]1[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001560735223 1060603986 /nfs/dbraw/zinc/60/39/86/1060603986.db2.gz UGMIOKFCVZRCHQ-BUXKBTBVSA-N 0 0 317.379 4.474 20 10 DICDRN C[C@@H]1CCCc2ccccc2[C@H]1[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001560735220 1060604088 /nfs/dbraw/zinc/60/40/88/1060604088.db2.gz UGMIOKFCVZRCHQ-BLVKFPJESA-N 0 0 317.379 4.474 20 10 DICDRN COc1ccc2c(c1)CCCN2CCCc1ccc(F)c(F)c1 ZINC001560742560 1060609152 /nfs/dbraw/zinc/60/91/52/1060609152.db2.gz GLZLIUNRJVCOKG-UHFFFAOYSA-N 0 0 317.379 4.359 20 10 DICDRN [O-]c1c(F)c(F)ccc1C[NH2+]Cc1cc2ccccc2s1 ZINC001560851071 1060708557 /nfs/dbraw/zinc/70/85/57/1060708557.db2.gz OFULQDBEFZCUOT-UHFFFAOYSA-N 0 0 305.349 4.175 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC001560854506 1060712135 /nfs/dbraw/zinc/71/21/35/1060712135.db2.gz RKHPBOYQFFBNRU-OAHLLOKOSA-N 0 0 319.807 4.468 20 10 DICDRN CCC(CC)[N@H+](CC)Cc1cc(C)cc(Br)c1[O-] ZINC001560862124 1060720621 /nfs/dbraw/zinc/72/06/21/1060720621.db2.gz GWEFNAATADPLRZ-UHFFFAOYSA-N 0 0 314.267 4.474 20 10 DICDRN COc1ccc(N(C)Cc2cc(OC)c(OC)cc2Cl)cc1 ZINC001560918093 1060778688 /nfs/dbraw/zinc/77/86/88/1060778688.db2.gz JEADZNGEEPGBCI-UHFFFAOYSA-N 0 0 321.804 4.002 20 10 DICDRN CN(C)c1ccc(CC2=CN(C(=O)OC(C)(C)C)CCC2)cc1 ZINC001250434132 1060803245 /nfs/dbraw/zinc/80/32/45/1060803245.db2.gz GXOXVJRPZXMLNI-UHFFFAOYSA-N 0 0 316.445 4.210 20 10 DICDRN COc1cc(C)cc(CNc2ccc(OC)c3ccccc23)c1O ZINC001560960236 1060824927 /nfs/dbraw/zinc/82/49/27/1060824927.db2.gz VVLDHYGOOGPIIJ-UHFFFAOYSA-N 0 0 323.392 4.483 20 10 DICDRN CN(C)c1ccc(-c2nc3ccc(F)c(F)c3n2C2CC2)cc1 ZINC001250468959 1060826678 /nfs/dbraw/zinc/82/66/78/1060826678.db2.gz WHCJNICOSMCSMP-UHFFFAOYSA-N 0 0 313.351 4.382 20 10 DICDRN Oc1ccc(F)cc1CNc1ccc(N2CCCCC2)c(F)c1 ZINC001560981934 1060844653 /nfs/dbraw/zinc/84/46/53/1060844653.db2.gz ORJLGFUBNIHSBF-UHFFFAOYSA-N 0 0 318.367 4.273 20 10 DICDRN Fc1cc2[nH]c(-c3ccc(N4CCCC4)cc3)nc2c(F)c1F ZINC001250489936 1060844967 /nfs/dbraw/zinc/84/49/67/1060844967.db2.gz JMTSGPNTOQPZRD-UHFFFAOYSA-N 0 0 317.314 4.247 20 10 DICDRN CCn1c2cc(OC)ccc2nc1-c1ccc(N2CCCC2)cc1 ZINC001250490168 1060845419 /nfs/dbraw/zinc/84/54/19/1060845419.db2.gz VKURBWNPGGITBT-UHFFFAOYSA-N 0 0 321.424 4.332 20 10 DICDRN CCOc1ccc2[nH]c(-c3ccc(N4CCCC4)cc3)nc2c1 ZINC001250490079 1060845810 /nfs/dbraw/zinc/84/58/10/1060845810.db2.gz QKEDZUYSTRSJJB-UHFFFAOYSA-N 0 0 307.397 4.229 20 10 DICDRN C[C@H](CCc1ccccc1F)[NH2+]Cc1cccc(Cl)c1[O-] ZINC001561043681 1060895650 /nfs/dbraw/zinc/89/56/50/1060895650.db2.gz DVMPLUYRNNXSPX-GFCCVEGCSA-N 0 0 307.796 4.296 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001561043585 1060896157 /nfs/dbraw/zinc/89/61/57/1060896157.db2.gz BCRATNSIYDFLHL-ZDUSSCGKSA-N 0 0 322.235 4.346 20 10 DICDRN O=C(Nc1ccc(Cl)cc1Cl)N1Cc2cccc(O)c2C1 ZINC001562045855 1060961446 /nfs/dbraw/zinc/96/14/46/1060961446.db2.gz BLFHHJGARVCWRT-UHFFFAOYSA-N 0 0 323.179 4.247 20 10 DICDRN CCCOc1ccccc1NC(=O)N[C@@H](C)c1ccccc1O ZINC001562082663 1060971681 /nfs/dbraw/zinc/97/16/81/1060971681.db2.gz NKJAFORAOKEYRL-ZDUSSCGKSA-N 0 0 314.385 4.064 20 10 DICDRN Cc1nc(CN(C)Cc2ccccc2O)sc1C(C)(C)C ZINC001473233550 1061013170 /nfs/dbraw/zinc/01/31/70/1061013170.db2.gz PPVYNQZLKMICKF-UHFFFAOYSA-N 0 0 304.459 4.087 20 10 DICDRN COc1cccc2c1nc(-c1ccc(N3CCCCC3)cc1)n2C ZINC001250686960 1061014993 /nfs/dbraw/zinc/01/49/93/1061014993.db2.gz CSRAKBOOTPGRCN-UHFFFAOYSA-N 0 0 321.424 4.239 20 10 DICDRN COc1ccc2nc(-c3ccc(N4CCCCC4)cc3)n(C)c2c1 ZINC001250687333 1061018292 /nfs/dbraw/zinc/01/82/92/1061018292.db2.gz LICXEDDEWSUADS-UHFFFAOYSA-N 0 0 321.424 4.239 20 10 DICDRN CCN(Cc1nc(Cl)ccc1Cl)c1ccc(OC)cc1 ZINC001473247947 1061026115 /nfs/dbraw/zinc/02/61/15/1061026115.db2.gz 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1061117819 /nfs/dbraw/zinc/11/78/19/1061117819.db2.gz QZNGNSXJZZYJTP-KRWDZBQOSA-N 0 0 321.342 4.455 20 10 DICDRN Cc1ccc(C[N@@H+](C)Cc2c([O-])ccc(Cl)c2F)cc1C ZINC001462342381 1061118181 /nfs/dbraw/zinc/11/81/81/1061118181.db2.gz NNJLQUMCDVNCFA-UHFFFAOYSA-N 0 0 307.796 4.434 20 10 DICDRN O[C@H](CNc1ccc(/N=N/c2ccccc2)cc1)C(F)(F)F ZINC001250979667 1061158694 /nfs/dbraw/zinc/15/86/94/1061158694.db2.gz OHVKFPTZVHDXBM-YYZBOFOMSA-N 0 0 309.291 4.437 20 10 DICDRN COc1ccc(N(CCC(C)C)Cc2ccc(OC)nc2)cc1 ZINC001473445517 1061163320 /nfs/dbraw/zinc/16/33/20/1061163320.db2.gz NZQZZNWTIRPVDG-UHFFFAOYSA-N 0 0 314.429 4.152 20 10 DICDRN COc1ccc(N(Cc2ccncc2Cl)CC2CC2)cc1 ZINC001473484746 1061184353 /nfs/dbraw/zinc/18/43/53/1061184353.db2.gz FUFHOUATLBAHFJ-UHFFFAOYSA-N 0 0 302.805 4.160 20 10 DICDRN COc1ccc(N(CCSC(F)(F)F)CC2CC2)cc1 ZINC001473486257 1061188083 /nfs/dbraw/zinc/18/80/83/1061188083.db2.gz TWYWNTNDVUOFLE-UHFFFAOYSA-N 0 0 305.365 4.165 20 10 DICDRN CC1(C)C[C@]1([NH2+]Cc1cccc(Cl)c1[O-])c1ccccc1 ZINC001462461094 1061188717 /nfs/dbraw/zinc/18/87/17/1061188717.db2.gz NHNRAZFQASJOBN-SFHVURJKSA-N 0 0 301.817 4.461 20 10 DICDRN C[C@@H]1CN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)[C@H]1C ZINC001473510499 1061205475 /nfs/dbraw/zinc/20/54/75/1061205475.db2.gz TYHYFYJCXFFDFY-CABCVRRESA-N 0 0 322.412 4.381 20 10 DICDRN [O-]c1c(F)cccc1C[NH2+]Cc1cc(Cl)cc(Cl)c1F ZINC001462511789 1061220211 /nfs/dbraw/zinc/22/02/11/1061220211.db2.gz LCRXDYZFYZFFNL-UHFFFAOYSA-N 0 0 318.150 4.267 20 10 DICDRN Cc1cc(C(=O)N[C@@H]2CC[C@H](C)C2)c(C)n1-c1ccccc1C ZINC001455833598 1061237008 /nfs/dbraw/zinc/23/70/08/1061237008.db2.gz LIHWEFLPGLWIOJ-SUMWQHHRSA-N 0 0 310.441 4.321 20 10 DICDRN COc1ccc(N(Cc2cn3c(cccc3C)n2)CC(C)C)cc1 ZINC001473560007 1061243618 /nfs/dbraw/zinc/24/36/18/1061243618.db2.gz PNAHLEKWUQDRQB-UHFFFAOYSA-N 0 0 323.440 4.314 20 10 DICDRN CCC(C)(C)c1ccccc1C(=O)NCc1c(O)cccc1F ZINC001456028573 1061258995 /nfs/dbraw/zinc/25/89/95/1061258995.db2.gz JLKZXCJJMMPMGC-UHFFFAOYSA-N 0 0 315.388 4.149 20 10 DICDRN Oc1c(Cl)cccc1CNc1ccc(-c2ccon2)cc1 ZINC001462605827 1061294991 /nfs/dbraw/zinc/29/49/91/1061294991.db2.gz RSABKPYCOKCUPD-UHFFFAOYSA-N 0 0 300.745 4.313 20 10 DICDRN Cc1cc(C(=O)NCc2c(O)ccc3ccccc32)cc(C)c1F ZINC001456308611 1061295118 /nfs/dbraw/zinc/29/51/18/1061295118.db2.gz JRXUHGLJYAMVAO-UHFFFAOYSA-N 0 0 323.367 4.231 20 10 DICDRN CCCN(C(=O)/C=C\c1ccc(C)nc1)c1ccc(Cl)cc1 ZINC001456415594 1061314744 /nfs/dbraw/zinc/31/47/44/1061314744.db2.gz VOMCFEMESJRWCI-WDZFZDKYSA-N 0 0 314.816 4.500 20 10 DICDRN Oc1cc(Br)ccc1C[NH2+]C[C@@H]1C[C@H]1C1CCCC1 ZINC001462669213 1061328813 /nfs/dbraw/zinc/32/88/13/1061328813.db2.gz SDKLFPKZQSFIPP-ZFWWWQNUSA-N 0 0 324.262 4.071 20 10 DICDRN CC[C@@H](C)n1c2ccc(C)cc2nc1-c1cc(O)c(O)cc1O ZINC001251358140 1061331682 /nfs/dbraw/zinc/33/16/82/1061331682.db2.gz AMYUVZWKMPEISY-LLVKDONJSA-N 0 0 312.369 4.100 20 10 DICDRN CC(C)[C@H](C)n1c2ccccc2nc1-c1cc(O)c(O)cc1O ZINC001251358144 1061333083 /nfs/dbraw/zinc/33/30/83/1061333083.db2.gz ANYSJIFIKZLUFY-NSHDSACASA-N 0 0 312.369 4.037 20 10 DICDRN CCCCOC(=O)[C@H](C)N(CC1CC1)c1ccc(OCC)cc1 ZINC001473718613 1061366715 /nfs/dbraw/zinc/36/67/15/1061366715.db2.gz SSFIFLKWVKEIEK-HNNXBMFYSA-N 0 0 319.445 4.034 20 10 DICDRN CN(c1ccc(CNC(=O)OC2CCC2)cc1)C1CCCCC1 ZINC001462934924 1061389791 /nfs/dbraw/zinc/38/97/91/1061389791.db2.gz YKYHVVGRDAJYEE-UHFFFAOYSA-N 0 0 316.445 4.234 20 10 DICDRN Cc1cc(C(=O)N2C[C@@H]3CCC[C@@H]3C2)c(C)n1-c1cccc(C)c1 ZINC001457058736 1061405507 /nfs/dbraw/zinc/40/55/07/1061405507.db2.gz JVFRSMNNJFLYHZ-HDICACEKSA-N 0 0 322.452 4.275 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC001457065067 1061405699 /nfs/dbraw/zinc/40/56/99/1061405699.db2.gz AQKHRMHWJUEGNF-GASCZTMLSA-N 0 0 310.441 4.497 20 10 DICDRN Cc1ccc2c(c1)[C@@H](NC(=O)N[C@H](C)c1ccccc1O)CCC2 ZINC001251616857 1061419399 /nfs/dbraw/zinc/41/93/99/1061419399.db2.gz HSVQSIDREZDIHH-KDOFPFPSSA-N 0 0 324.424 4.138 20 10 DICDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC/C=C/Cl)c1 ZINC001463253846 1061448008 /nfs/dbraw/zinc/44/80/08/1061448008.db2.gz SNRLGXVBCSQLGY-FPYGCLRLSA-N 0 0 323.223 4.230 20 10 DICDRN Cc1ncccc1/C=C/C(=O)N1CC2(CCCC2)c2ccccc21 ZINC001457403657 1061449106 /nfs/dbraw/zinc/44/91/06/1061449106.db2.gz GNKYJZUDJRBAND-ZHACJKMWSA-N 0 0 318.420 4.262 20 10 DICDRN CCCCc1ccc(N(C)C(=O)/C=C\c2cccnc2C)cc1 ZINC001457490752 1061461613 /nfs/dbraw/zinc/46/16/13/1061461613.db2.gz PYZQTVCTAXZXPX-KAMYIIQDSA-N 0 0 308.425 4.409 20 10 DICDRN CN(C)c1ccc(CNc2ccc(Br)cc2)cc1F ZINC001473944021 1061487179 /nfs/dbraw/zinc/48/71/79/1061487179.db2.gz GFUQLKGGVNQWBL-UHFFFAOYSA-N 0 0 323.209 4.266 20 10 DICDRN Oc1c(F)cc(Cl)cc1CNc1cccc(OC(F)F)c1 ZINC001473946596 1061489991 /nfs/dbraw/zinc/48/99/91/1061489991.db2.gz PRNMZFZMRMHSFC-UHFFFAOYSA-N 0 0 317.694 4.398 20 10 DICDRN CC(C)=CCC[C@H](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001463760720 1061518563 /nfs/dbraw/zinc/51/85/63/1061518563.db2.gz FAMMKLDUMKUMMW-KRWDZBQOSA-N 0 0 316.489 4.484 20 10 DICDRN Oc1c(F)cc(F)cc1CNc1ccc(F)cc1OCC1CC1 ZINC001474013996 1061554664 /nfs/dbraw/zinc/55/46/64/1061554664.db2.gz WENVALMGKSWEKJ-UHFFFAOYSA-N 0 0 323.314 4.210 20 10 DICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCc1cc2ccccc2o1 ZINC001474014314 1061555667 /nfs/dbraw/zinc/55/56/67/1061555667.db2.gz JEKVQXUBXDVNTB-UHFFFAOYSA-N 0 0 319.763 4.263 20 10 DICDRN Cc1ccc(NCc2cc(F)cc(F)c2O)cc1OC(F)F ZINC001474016434 1061557673 /nfs/dbraw/zinc/55/76/73/1061557673.db2.gz SDDNQGVXJAYPHY-UHFFFAOYSA-N 0 0 315.266 4.192 20 10 DICDRN Clc1cccc(-c2nccc(Sc3nccs3)n2)c1 ZINC001458124160 1061584852 /nfs/dbraw/zinc/58/48/52/1061584852.db2.gz WMNHFEXHMGAIOV-UHFFFAOYSA-N 0 0 305.815 4.405 20 10 DICDRN COc1cc(N(C)CCC2CCCCC2)c([N+](=O)[O-])cc1OC ZINC001458153306 1061601629 /nfs/dbraw/zinc/60/16/29/1061601629.db2.gz RMLLVXNDPBGVNS-UHFFFAOYSA-N 0 0 322.405 4.019 20 10 DICDRN Oc1c(F)cc(Cl)cc1CNc1ccc(-c2cnco2)cc1 ZINC001474059597 1061605580 /nfs/dbraw/zinc/60/55/80/1061605580.db2.gz CWQIEJOAFNKCBN-UHFFFAOYSA-N 0 0 318.735 4.452 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC2(C3CC3)CCC2)cc1 ZINC001458175346 1061613888 /nfs/dbraw/zinc/61/38/88/1061613888.db2.gz MLAUGHRBEDTSCJ-UHFFFAOYSA-N 0 0 322.452 4.404 20 10 DICDRN CC(C)(C)Sc1ccc(NC(=O)c2cccc(O)c2O)cc1 ZINC001464654956 1061620112 /nfs/dbraw/zinc/62/01/12/1061620112.db2.gz GACACKAYZYPXSW-UHFFFAOYSA-N 0 0 317.410 4.241 20 10 DICDRN Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2C)c(C)n1-c1ccccc1C ZINC001464980974 1061659609 /nfs/dbraw/zinc/65/96/09/1061659609.db2.gz CBTFGXWJWOMNJI-SCLBCKFNSA-N 0 0 310.441 4.321 20 10 DICDRN CC[C@H]1CCC[C@H]1C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC001465003888 1061662443 /nfs/dbraw/zinc/66/24/43/1061662443.db2.gz DATANLFTJRLOPI-JKSUJKDBSA-N 0 0 320.452 4.114 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)C2(C)CCCCC2)cc1F ZINC001465006675 1061663483 /nfs/dbraw/zinc/66/34/83/1061663483.db2.gz POFKDGJCSCZMFX-UHFFFAOYSA-N 0 0 320.452 4.259 20 10 DICDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC001474125304 1061671636 /nfs/dbraw/zinc/67/16/36/1061671636.db2.gz GGAPFBQHHMDDRO-FUKZOUPISA-N 0 0 323.770 4.360 20 10 DICDRN CC[C@@H]1CCC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC001465273147 1061722108 /nfs/dbraw/zinc/72/21/08/1061722108.db2.gz FZURFLRKWFNFJM-ZYHUDNBSSA-N 0 0 319.426 4.011 20 10 DICDRN CC[C@H](C)[C@H](C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC001465270283 1061722982 /nfs/dbraw/zinc/72/29/82/1061722982.db2.gz DCMRQDDASILSBS-JSGCOSHPSA-N 0 0 316.420 4.398 20 10 DICDRN COC[C@@H](O)CNc1cc(/N=N/c2ccc(C)cc2)ccc1C ZINC001252824121 1061729709 /nfs/dbraw/zinc/72/97/09/1061729709.db2.gz MTKGYXISISDTHC-UAFUQJIBSA-N 0 0 313.401 4.138 20 10 DICDRN O=[N+]([O-])c1ccc(Sc2ncc(Cl)s2)c2ccncc21 ZINC001458508528 1061807434 /nfs/dbraw/zinc/80/74/34/1061807434.db2.gz GHIBMIXFYKBRTA-UHFFFAOYSA-N 0 0 323.786 4.404 20 10 DICDRN C[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)c1cc2cnccc2o1 ZINC001474246041 1061812475 /nfs/dbraw/zinc/81/24/75/1061812475.db2.gz YFHZMQIVXVMPGQ-VIFPVBQESA-N 0 0 320.751 4.177 20 10 DICDRN CSC1CCC(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC001474267071 1061832322 /nfs/dbraw/zinc/83/23/22/1061832322.db2.gz IGEHAEDHBOMBHN-UHFFFAOYSA-N 0 0 317.857 4.196 20 10 DICDRN CCCN(CCC)c1ccc(CNc2cnc3n[nH]cc3c2)cc1 ZINC001474287108 1061856784 /nfs/dbraw/zinc/85/67/84/1061856784.db2.gz WDCXZUPCPMHNHM-UHFFFAOYSA-N 0 0 323.444 4.196 20 10 DICDRN CC[N@H+](Cc1ccccc1Cl)Cc1cc(C)cc(OC)c1O ZINC001474318939 1061892453 /nfs/dbraw/zinc/89/24/53/1061892453.db2.gz KHKOXIMNNVXHSC-UHFFFAOYSA-N 0 0 319.832 4.385 20 10 DICDRN CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC001474321152 1061896129 /nfs/dbraw/zinc/89/61/29/1061896129.db2.gz ZVUVSYTUOYHQJE-GJZGRUSLSA-N 0 0 311.853 4.071 20 10 DICDRN Cc1cc(C(=O)N2CC[C@H]2C(C)C)c(C)n1-c1ccc(F)cc1 ZINC001466419290 1061935445 /nfs/dbraw/zinc/93/54/45/1061935445.db2.gz KDUUYKBJZPWLIL-SFHVURJKSA-N 0 0 314.404 4.104 20 10 DICDRN CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC001474350250 1061955707 /nfs/dbraw/zinc/95/57/07/1061955707.db2.gz IGPPTNLHCSPCGE-HNNXBMFYSA-N 0 0 305.368 4.124 20 10 DICDRN COc1cc2c(cc1NC[C@@H](O)C(C)(C)C)oc1ccccc12 ZINC001253735992 1061965957 /nfs/dbraw/zinc/96/59/57/1061965957.db2.gz RRKCNAACHCPZNN-GOSISDBHSA-N 0 0 313.397 4.414 20 10 DICDRN [O-]c1cc(F)c(F)cc1C[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC001474356388 1061972500 /nfs/dbraw/zinc/97/25/00/1061972500.db2.gz CRUJZPRRBZKVIP-UHFFFAOYSA-N 0 0 321.342 4.222 20 10 DICDRN CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2c([O-])ccc(Cl)c2F)C1 ZINC001474360427 1061986693 /nfs/dbraw/zinc/98/66/93/1061986693.db2.gz PDNGUBNBKULWNJ-GHMZBOCLSA-N 0 0 317.857 4.291 20 10 DICDRN CC(C)c1ocnc1CN1CCCc2cc(OC(F)F)ccc21 ZINC001254071094 1062019032 /nfs/dbraw/zinc/01/90/32/1062019032.db2.gz VUVKSIFFNVAIPF-UHFFFAOYSA-N 0 0 322.355 4.352 20 10 DICDRN Cc1cc(N(C)C)ccc1CN(CC(C)C)CC(F)(F)F ZINC001474377469 1062021750 /nfs/dbraw/zinc/02/17/50/1062021750.db2.gz IHEQDNMWCLPZMI-UHFFFAOYSA-N 0 0 302.384 4.081 20 10 DICDRN Fc1cccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)c1 ZINC001254140059 1062030321 /nfs/dbraw/zinc/03/03/21/1062030321.db2.gz DIZAHTFYZWLNIE-UHFFFAOYSA-N 0 0 305.312 4.333 20 10 DICDRN Cc1nc(-c2cccc(NCc3cc(C(C)C)ccc3O)c2)n[nH]1 ZINC001474385048 1062035474 /nfs/dbraw/zinc/03/54/74/1062035474.db2.gz YPYJCOKIJOZMSC-UHFFFAOYSA-N 0 0 322.412 4.221 20 10 DICDRN Cc1cc(Cl)cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC001459179330 1062035907 /nfs/dbraw/zinc/03/59/07/1062035907.db2.gz VNRATLDMHMLWRZ-CYBMUJFWSA-N 0 0 316.832 4.205 20 10 DICDRN Cc1nc2ccccc2nc1CSc1ncc(Cl)s1 ZINC001459195382 1062040566 /nfs/dbraw/zinc/04/05/66/1062040566.db2.gz ICMISSGLWMGPBF-UHFFFAOYSA-N 0 0 307.831 4.340 20 10 DICDRN CSc1cc(NC(=O)N(C)Cc2ccccc2O)ccc1C ZINC001467000533 1062044992 /nfs/dbraw/zinc/04/49/92/1062044992.db2.gz QXWMDQHHAFOGNN-UHFFFAOYSA-N 0 0 316.426 4.086 20 10 DICDRN CC(C)(C)CN(C(=O)/C=C\c1cncc(F)c1)c1ccccc1 ZINC001459221867 1062046436 /nfs/dbraw/zinc/04/64/36/1062046436.db2.gz CORAXSDSYHQUKL-KTKRTIGZSA-N 0 0 312.388 4.313 20 10 DICDRN CN(C)c1cc(F)c(CN(C)Cc2ccccc2Cl)cc1F ZINC001474412995 1062076778 /nfs/dbraw/zinc/07/67/78/1062076778.db2.gz PHSITFUBWSVPMS-UHFFFAOYSA-N 0 0 324.802 4.316 20 10 DICDRN CC(C)c1ccc(O)c(CNc2ccccc2C[S@@](C)=O)c1 ZINC001474418699 1062086432 /nfs/dbraw/zinc/08/64/32/1062086432.db2.gz FXKFXDCDBHDYEW-JOCHJYFZSA-N 0 0 317.454 4.006 20 10 DICDRN Cc1oc2ccccc2c1CN1CCOc2cc(N(C)C)ccc21 ZINC001474421504 1062093913 /nfs/dbraw/zinc/09/39/13/1062093913.db2.gz DDGAMMNVKWRUSR-UHFFFAOYSA-N 0 0 322.408 4.206 20 10 DICDRN COc1ccc2c(c1)CCCN2Cc1cc(Cl)ccc1F ZINC001474428813 1062103673 /nfs/dbraw/zinc/10/36/73/1062103673.db2.gz SRLXWPXSOZZGKL-UHFFFAOYSA-N 0 0 305.780 4.441 20 10 DICDRN CCN1CCN(Cc2c(O)cc(C)cc2Cl)c2ccccc21 ZINC001474431020 1062105776 /nfs/dbraw/zinc/10/57/76/1062105776.db2.gz ZBDVGXBMOIUXOO-UHFFFAOYSA-N 0 0 316.832 4.201 20 10 DICDRN COc1cc(CN(C)c2ccc(OC)c(Cl)c2)ccc1F ZINC001474431504 1062105868 /nfs/dbraw/zinc/10/58/68/1062105868.db2.gz JYBCNEKRRKHYLS-UHFFFAOYSA-N 0 0 309.768 4.133 20 10 DICDRN COc1ccc(N(C)Cc2cccc(OC)c2F)cc1Cl ZINC001474432166 1062106036 /nfs/dbraw/zinc/10/60/36/1062106036.db2.gz YFDPWXFTJBIKGY-UHFFFAOYSA-N 0 0 309.768 4.133 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H]1CCC[C@@H]1C ZINC001467441017 1062129808 /nfs/dbraw/zinc/12/98/08/1062129808.db2.gz GMQBDNKIKRIPFO-WFASDCNBSA-N 0 0 316.470 4.322 20 10 DICDRN Cc1ccc([C@@H]2CC[N@H+](Cc3cc(F)cc(F)c3[O-])C2)c(C)c1 ZINC001474495421 1062175947 /nfs/dbraw/zinc/17/59/47/1062175947.db2.gz BEORREXYWXQZAA-CQSZACIVSA-N 0 0 317.379 4.277 20 10 DICDRN C[C@H]([NH2+]C[C@H]1CCc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC001254721689 1062241722 /nfs/dbraw/zinc/24/17/22/1062241722.db2.gz UQNKPPCZKHTZEQ-WCQYABFASA-N 0 0 303.352 4.051 20 10 DICDRN CCc1ccc([C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3[O-])C2)cc1 ZINC001474551431 1062249428 /nfs/dbraw/zinc/24/94/28/1062249428.db2.gz WPCATWWWNRNMPT-OAHLLOKOSA-N 0 0 317.379 4.222 20 10 DICDRN COc1ccc2c(c1)CCCCN2Cc1ccc(C(F)F)nc1 ZINC001474557007 1062256667 /nfs/dbraw/zinc/25/66/67/1062256667.db2.gz NJJLLNFLCOHUHQ-UHFFFAOYSA-N 0 0 318.367 4.371 20 10 DICDRN CC1(C)C[N@H+](Cc2cccc(Cl)c2[O-])Cc2ccccc2O1 ZINC001474559064 1062259796 /nfs/dbraw/zinc/25/97/96/1062259796.db2.gz ZWBMSWDUKHVOSC-UHFFFAOYSA-N 0 0 317.816 4.219 20 10 DICDRN Oc1c(F)cc(F)cc1CN1CCCSc2ccccc21 ZINC001474558242 1062260801 /nfs/dbraw/zinc/26/08/01/1062260801.db2.gz YKNSCUITILSZRA-UHFFFAOYSA-N 0 0 307.365 4.173 20 10 DICDRN C[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)c2ccccc21 ZINC001474590157 1062298947 /nfs/dbraw/zinc/29/89/47/1062298947.db2.gz OPHFWHKTSVQFRL-GFCCVEGCSA-N 0 0 302.368 4.155 20 10 DICDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1ccc(F)nc1 ZINC001474589884 1062300351 /nfs/dbraw/zinc/30/03/51/1062300351.db2.gz DXDHAGJKMXQFFF-INIZCTEOSA-N 0 0 314.404 4.064 20 10 DICDRN CCC1(C)CN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1 ZINC001468324032 1062300694 /nfs/dbraw/zinc/30/06/94/1062300694.db2.gz FFMWKYAQTAYXCV-UHFFFAOYSA-N 0 0 310.441 4.275 20 10 DICDRN CCC[C@@H](CN1C[C@@H](C(C)C)Cc2cc(OC)ccc21)OC ZINC001474590147 1062301716 /nfs/dbraw/zinc/30/17/16/1062301716.db2.gz OEGJMOLELBHUCD-WMZOPIPTSA-N 0 0 305.462 4.145 20 10 DICDRN C[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CCc2ccc(F)cc21 ZINC001474607989 1062322718 /nfs/dbraw/zinc/32/27/18/1062322718.db2.gz IGOHQQODYKPEFO-LBPRGKRZSA-N 0 0 319.807 4.347 20 10 DICDRN CCN(Cc1cc(OC)ccc1Cl)c1ccc(OC)cc1 ZINC001459708428 1062326833 /nfs/dbraw/zinc/32/68/33/1062326833.db2.gz SDABHUXJOVNCTP-UHFFFAOYSA-N 0 0 305.805 4.384 20 10 DICDRN C[C@@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2F)CCc2ccccc21 ZINC001474613617 1062330133 /nfs/dbraw/zinc/33/01/33/1062330133.db2.gz HNYANBPDFGCRAT-GFCCVEGCSA-N 0 0 319.807 4.347 20 10 DICDRN C[C@H](CSc1ccccc1)[N@H+](C)Cc1cccc(F)c1[O-] ZINC001474617635 1062338097 /nfs/dbraw/zinc/33/80/97/1062338097.db2.gz XUOOGQQKSHTVRB-CYBMUJFWSA-N 0 0 305.418 4.144 20 10 DICDRN C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001474621110 1062343716 /nfs/dbraw/zinc/34/37/16/1062343716.db2.gz DSLANKLVJPYSSB-MGPLVRAMSA-N 0 0 305.780 4.003 20 10 DICDRN Cc1cscc1CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001459732195 1062344087 /nfs/dbraw/zinc/34/40/87/1062344087.db2.gz SASVQMOOHJEFMN-UHFFFAOYSA-N 0 0 324.449 4.394 20 10 DICDRN COc1cc(C)c(CNc2cc(Cl)cc(C)c2OC)c(O)c1 ZINC001474634285 1062358548 /nfs/dbraw/zinc/35/85/48/1062358548.db2.gz QSMJRIRIKVHKLL-UHFFFAOYSA-N 0 0 321.804 4.292 20 10 DICDRN COc1ccc(N(Cc2cncc(Cl)c2)C(C)C)cc1F ZINC001459804838 1062411298 /nfs/dbraw/zinc/41/12/98/1062411298.db2.gz XHLCYVPCJMNPRS-UHFFFAOYSA-N 0 0 308.784 4.298 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)OC2CCCCC2)cc1F ZINC001474953351 1062483266 /nfs/dbraw/zinc/48/32/66/1062483266.db2.gz JOUNJDLGXZTHEK-UHFFFAOYSA-N 0 0 322.424 4.231 20 10 DICDRN O=C(/C=C\C1CCCC1)NCc1ccc(N2CCCCC2)cc1 ZINC001469301570 1062523746 /nfs/dbraw/zinc/52/37/46/1062523746.db2.gz ALABWJHMBMXKFS-RAXLEYEMSA-N 0 0 312.457 4.040 20 10 DICDRN O=C(NCc1cc(Cl)ccc1O)Nc1ccc(Cl)cc1 ZINC001475945526 1062560467 /nfs/dbraw/zinc/56/04/67/1062560467.db2.gz YELHSTDYOHZMEL-UHFFFAOYSA-N 0 0 311.168 4.021 20 10 DICDRN COc1ccc(N(C[C@@H](OC)c2ccccc2)CC2CC2)cc1 ZINC001460134106 1062653988 /nfs/dbraw/zinc/65/39/88/1062653988.db2.gz 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/nfs/dbraw/zinc/90/91/90/1062909190.db2.gz DACJIZJSHULAGE-OAHLLOKOSA-N 0 0 322.452 4.457 20 10 DICDRN CC[C@@H](C)[C@@H](C(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC001471194423 1062938630 /nfs/dbraw/zinc/93/86/30/1062938630.db2.gz KETRKGKHWDLQED-ZRGWGRIASA-N 0 0 311.425 4.399 20 10 DICDRN CC[C@@H](Cc1ccccc1C)C(=O)N[C@H](C)c1ccccc1O ZINC001471195418 1062940732 /nfs/dbraw/zinc/94/07/32/1062940732.db2.gz HTGRAGIBZBKLKZ-CVEARBPZSA-N 0 0 311.425 4.147 20 10 DICDRN C[C@@H](NC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21)c1ccccc1O ZINC001471195636 1062941815 /nfs/dbraw/zinc/94/18/15/1062941815.db2.gz JPWSMCRZDKQLAL-MUIFIZLQSA-N 0 0 301.430 4.176 20 10 DICDRN Cc1nc2ccccc2c(C)c1C(=O)N[C@H](C)c1ccccc1O ZINC001471195704 1062941948 /nfs/dbraw/zinc/94/19/48/1062941948.db2.gz LXWJCAUYTOJMLL-CYBMUJFWSA-N 0 0 320.392 4.048 20 10 DICDRN CC(C)(C)c1ccc(/C=C/C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001471355462 1062971010 /nfs/dbraw/zinc/97/10/10/1062971010.db2.gz IYOLIPVLJDYHTA-FMIVXFBMSA-N 0 0 321.420 4.245 20 10 DICDRN Cc1ccc2sc(C(=O)N3Cc4cccc(O)c4C3)cc2c1 ZINC001471355309 1062971644 /nfs/dbraw/zinc/97/16/44/1062971644.db2.gz FPQOFKKQNLJJRK-UHFFFAOYSA-N 0 0 309.390 4.071 20 10 DICDRN O=C(Nc1ccc([C@@H](F)C(F)(F)F)cc1)C1=CC(=O)CS1 ZINC001471526813 1062997215 /nfs/dbraw/zinc/99/72/15/1062997215.db2.gz PZUAQVDPRSCIHV-LLVKDONJSA-N 0 0 319.279 4.279 20 10 DICDRN CCOc1ccc(N(C)C[C@@H]2CCCC23CCOCC3)cc1 ZINC001460737872 1063027221 /nfs/dbraw/zinc/02/72/21/1063027221.db2.gz QIXMQFSLBNCMFA-INIZCTEOSA-N 0 0 303.446 4.118 20 10 DICDRN C[C@@H](CCC(C)(C)C)NC(=O)NCc1cc(Cl)ccc1O ZINC001477950212 1063028087 /nfs/dbraw/zinc/02/80/87/1063028087.db2.gz SDVCBNVHTSUXQF-NSHDSACASA-N 0 0 312.841 4.060 20 10 DICDRN CCOc1ccc(N(C)Cc2ccc3c(c2)OC(F)(F)O3)cc1 ZINC001460738976 1063031180 /nfs/dbraw/zinc/03/11/80/1063031180.db2.gz SBVYDIBGFFYIPZ-UHFFFAOYSA-N 0 0 321.323 4.043 20 10 DICDRN O=C(/C=C\c1cccc(F)c1)NCc1c(O)ccc2ccccc21 ZINC001472085098 1063046015 /nfs/dbraw/zinc/04/60/15/1063046015.db2.gz KPMAMVFAMBXIIW-FLIBITNWSA-N 0 0 321.351 4.014 20 10 DICDRN Fc1ccsc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256935977 1063055074 /nfs/dbraw/zinc/05/50/74/1063055074.db2.gz WQNFBAGCBTZWGY-UHFFFAOYSA-N 0 0 311.341 4.395 20 10 DICDRN c1ccn(-c2ccc(-c3nnc(-c4cc(C5CC5)on4)o3)cc2)c1 ZINC001256934916 1063055953 /nfs/dbraw/zinc/05/59/53/1063055953.db2.gz ATAVHNDFKMRZOI-UHFFFAOYSA-N 0 0 318.336 4.060 20 10 DICDRN c1ccn(-c2ccc(-c3nnc(Cc4ccsc4)o3)cc2)c1 ZINC001256931435 1063056781 /nfs/dbraw/zinc/05/67/81/1063056781.db2.gz UOLYIMBFALELHY-UHFFFAOYSA-N 0 0 307.378 4.180 20 10 DICDRN Fc1ccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)cc1F ZINC001256941229 1063060035 /nfs/dbraw/zinc/06/00/35/1063060035.db2.gz VGXKJAZVWBUIFC-UHFFFAOYSA-N 0 0 323.302 4.473 20 10 DICDRN CCc1nc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)cs1 ZINC001256974465 1063064427 /nfs/dbraw/zinc/06/44/27/1063064427.db2.gz DNZPZJDZQFKRJF-UHFFFAOYSA-N 0 0 322.393 4.213 20 10 DICDRN COc1ccsc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256978449 1063067272 /nfs/dbraw/zinc/06/72/72/1063067272.db2.gz JXMITCCRHIQAAE-UHFFFAOYSA-N 0 0 323.377 4.264 20 10 DICDRN Cc1nc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)sc1C ZINC001256978600 1063067958 /nfs/dbraw/zinc/06/79/58/1063067958.db2.gz OXEAVVLESPWKBM-UHFFFAOYSA-N 0 0 322.393 4.268 20 10 DICDRN Cc1nc(F)ccc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256978953 1063069687 /nfs/dbraw/zinc/06/96/87/1063069687.db2.gz ZBSQTXIOAQZONS-UHFFFAOYSA-N 0 0 320.327 4.037 20 10 DICDRN CC[C@@H](CC(=O)NCc1cccc(Cl)c1O)c1ccccc1 ZINC001472315839 1063069885 /nfs/dbraw/zinc/06/98/85/1063069885.db2.gz GCGFRYOABIDALK-ZDUSSCGKSA-N 0 0 317.816 4.246 20 10 DICDRN c1ccn(-c2ccc(-c3nnc(-c4cnc(C5CC5)o4)o3)cc2)c1 ZINC001256987450 1063070517 /nfs/dbraw/zinc/07/05/17/1063070517.db2.gz CBGQWYGEWZILER-UHFFFAOYSA-N 0 0 318.336 4.060 20 10 DICDRN Cc1cc(C(=O)N[C@@H]2C[C@@H]3CCC[C@@H]23)c(C)n1-c1ccccc1C ZINC001472307439 1063070993 /nfs/dbraw/zinc/07/09/93/1063070993.db2.gz IKNMUSRYYKVMRT-YQVWRLOYSA-N 0 0 322.452 4.321 20 10 DICDRN Oc1cccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)c1F ZINC001256988327 1063072451 /nfs/dbraw/zinc/07/24/51/1063072451.db2.gz SZKSVHBAMQTZLX-UHFFFAOYSA-N 0 0 321.311 4.039 20 10 DICDRN Oc1ccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)cc1F ZINC001256987761 1063072787 /nfs/dbraw/zinc/07/27/87/1063072787.db2.gz JDOCCCWLDKCBOK-UHFFFAOYSA-N 0 0 321.311 4.039 20 10 DICDRN CC(=O)c1cc(Cl)cc(CN(Cc2ccoc2)C2CC2)c1O ZINC001460853804 1063102174 /nfs/dbraw/zinc/10/21/74/1063102174.db2.gz VXCZGYDLWKVXLW-UHFFFAOYSA-N 0 0 319.788 4.006 20 10 DICDRN COc1ccc(N(CC(C)C)C(=O)/C=C\c2ccc(C)nc2)cc1 ZINC001460991125 1063172073 /nfs/dbraw/zinc/17/20/73/1063172073.db2.gz FQHVAXAOZXWUAC-GHXNOFRVSA-N 0 0 324.424 4.101 20 10 DICDRN Cc1ccc(N(CC(C)C)C(=O)/C=C/c2cnccc2C)cc1 ZINC001461005718 1063179960 /nfs/dbraw/zinc/17/99/60/1063179960.db2.gz HYBNKRFWNADGCU-JXMROGBWSA-N 0 0 308.425 4.401 20 10 DICDRN CCOc1ccc(NCc2cc(F)c(N(C)C)cc2F)cc1 ZINC001461013945 1063189341 /nfs/dbraw/zinc/18/93/41/1063189341.db2.gz NMNKDDDDNGTSBH-UHFFFAOYSA-N 0 0 306.356 4.042 20 10 DICDRN [O-]c1c(F)cc(F)cc1C[NH2+]C1CCC(c2ccccc2)CC1 ZINC001461041990 1063208986 /nfs/dbraw/zinc/20/89/86/1063208986.db2.gz VATZBLGFBNGTPD-UHFFFAOYSA-N 0 0 317.379 4.486 20 10 DICDRN Oc1c(F)cc(F)cc1CNc1ccc(OC(F)F)c(F)c1 ZINC001461078545 1063237108 /nfs/dbraw/zinc/23/71/08/1063237108.db2.gz LWFKAXPFTKKZRU-UHFFFAOYSA-N 0 0 319.229 4.023 20 10 DICDRN COC(=O)Nc1cccc(NCc2c(O)cc(C)cc2Cl)c1 ZINC001461079153 1063238733 /nfs/dbraw/zinc/23/87/33/1063238733.db2.gz QISDZRWSYCKVPU-UHFFFAOYSA-N 0 0 320.776 4.144 20 10 DICDRN Cc1cccc(OC[C@H](C)[NH2+]Cc2cc(Cl)cc(F)c2[O-])c1 ZINC001461085203 1063244205 /nfs/dbraw/zinc/24/42/05/1063244205.db2.gz KKYHXAMGYCMAJF-LBPRGKRZSA-N 0 0 323.795 4.050 20 10 DICDRN Clc1cnc(Sc2ncncc2-c2ccccc2)s1 ZINC001472840642 1063277323 /nfs/dbraw/zinc/27/73/23/1063277323.db2.gz BCLIVJLGYLVHQZ-UHFFFAOYSA-N 0 0 305.815 4.405 20 10 DICDRN CC[C@H](C)C[C@H](C)[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC001461248048 1063362611 /nfs/dbraw/zinc/36/26/11/1063362611.db2.gz KKHQHVRYBKGRHS-JQWIXIFHSA-N 0 0 314.267 4.377 20 10 DICDRN Clc1cnc(SCc2ncccc2Br)s1 ZINC001473065709 1063382767 /nfs/dbraw/zinc/38/27/67/1063382767.db2.gz CXUIQSFKMKHSQW-UHFFFAOYSA-N 0 0 321.652 4.246 20 10 DICDRN CCC[C@H](C)CCNC(=O)N(CCC)Cc1ccccc1O ZINC001479196156 1063395798 /nfs/dbraw/zinc/39/57/98/1063395798.db2.gz NTWKIFPNINLHTK-HNNXBMFYSA-N 0 0 306.450 4.140 20 10 DICDRN Cn1cnc2cc(NCc3ccc(C(F)F)c(F)c3)ccc21 ZINC001461294020 1063397051 /nfs/dbraw/zinc/39/70/51/1063397051.db2.gz MPPDFIHVUVKRJV-UHFFFAOYSA-N 0 0 305.303 4.262 20 10 DICDRN Oc1c(F)cc(F)cc1CNc1ccccc1N1CCCCC1 ZINC001461293791 1063398185 /nfs/dbraw/zinc/39/81/85/1063398185.db2.gz LBLVWAPWRVSGLR-UHFFFAOYSA-N 0 0 318.367 4.273 20 10 DICDRN COc1cc(F)c(NCc2ccc(N3CCCC3)cc2)cc1F ZINC001461418773 1063486792 /nfs/dbraw/zinc/48/67/92/1063486792.db2.gz UPRBRSYCYQBVNK-UHFFFAOYSA-N 0 0 318.367 4.186 20 10 DICDRN COc1cc(Cl)ccc1NCc1c(O)ccc(Cl)c1F ZINC001461454115 1063514865 /nfs/dbraw/zinc/51/48/65/1063514865.db2.gz XMOJUWACXMGLFJ-UHFFFAOYSA-N 0 0 316.159 4.459 20 10 DICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC[C@H]1CCc2ccccc21 ZINC001461537229 1063565807 /nfs/dbraw/zinc/56/58/07/1063565807.db2.gz FPZNODKTHCYMRB-CYBMUJFWSA-N 0 0 319.807 4.394 20 10 DICDRN Cc1cc(Br)c(O)c(CNc2cnc(C)c(C)c2)c1 ZINC001461707714 1063672527 /nfs/dbraw/zinc/67/25/27/1063672527.db2.gz NMLSVHZIPZKTTB-UHFFFAOYSA-N 0 0 321.218 4.087 20 10 DICDRN CC(C)=CCCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001515686838 1063697565 /nfs/dbraw/zinc/69/75/65/1063697565.db2.gz KSXXJVPAFAZTTI-UHFFFAOYSA-N 0 0 310.441 4.109 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCCc2ccco2)cc1 ZINC001461811266 1063730554 /nfs/dbraw/zinc/73/05/54/1063730554.db2.gz CYRWHMBTAFPGLD-UHFFFAOYSA-N 0 0 322.408 4.050 20 10 DICDRN Cc1ccc(/C=C\C(=O)N2CC3(CCCC3)c3ccccc32)cn1 ZINC001516281346 1063734903 /nfs/dbraw/zinc/73/49/03/1063734903.db2.gz ARGWMGDQBNLCPD-KHPPLWFESA-N 0 0 318.420 4.262 20 10 DICDRN C[C@@H]1c2cc(F)cc(F)c2CCN1Cc1ccc(Cl)cc1O ZINC001461928120 1063814491 /nfs/dbraw/zinc/81/44/91/1063814491.db2.gz OSRGRHKIJQDXHB-SNVBAGLBSA-N 0 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CC[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC001308865501 1066346514 /nfs/dbraw/zinc/34/65/14/1066346514.db2.gz OZSGWYZQCHDLAV-HNNXBMFYSA-N 0 0 305.368 4.171 20 10 DICDRN CC(C)[C@](C)(Cc1ccccc1)[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001308900465 1066377440 /nfs/dbraw/zinc/37/74/40/1066377440.db2.gz FUXOMBUCHRNAEJ-IBGZPJMESA-N 0 0 319.395 4.417 20 10 DICDRN CC[C@H](C)Oc1cccc(NCc2cc(Cl)c(F)cc2O)n1 ZINC001308911346 1066390168 /nfs/dbraw/zinc/39/01/68/1066390168.db2.gz HIOPMWWHVRIGNE-JTQLQIEISA-N 0 0 324.783 4.369 20 10 DICDRN COc1ccc(O)c(CNc2ccc(C(C)(C)C)c(F)c2)c1 ZINC001308923035 1066401678 /nfs/dbraw/zinc/40/16/78/1066401678.db2.gz YRBILEVWSXRSJL-UHFFFAOYSA-N 0 0 303.377 4.450 20 10 DICDRN Oc1c(CN[C@H]2c3ccccc3OC[C@H]2F)ccc2ccccc21 ZINC001308936368 1066408425 /nfs/dbraw/zinc/40/84/25/1066408425.db2.gz FIYUOECCIVKHPB-MJGOQNOKSA-N 0 0 323.367 4.107 20 10 DICDRN Cc1cc(N(C)C)ccc1CNc1ccc(-c2ccon2)cc1 ZINC001308953863 1066417292 /nfs/dbraw/zinc/41/72/92/1066417292.db2.gz VAICQHXRGGXASP-UHFFFAOYSA-N 0 0 307.397 4.328 20 10 DICDRN CCc1ccc2c(c1)CC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C2 ZINC001308984286 1066433090 /nfs/dbraw/zinc/43/30/90/1066433090.db2.gz GZKAMYPESGUTIR-UHFFFAOYSA-N 0 0 319.807 4.305 20 10 DICDRN COc1cc(C)c(CNc2nc3ccccc3n2C2CC2)c(O)c1 ZINC001308991121 1066434942 /nfs/dbraw/zinc/43/49/42/1066434942.db2.gz KQUDOMWFBFDNNW-UHFFFAOYSA-N 0 0 323.396 4.006 20 10 DICDRN C[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(Cl)cc1 ZINC000756343518 1066468781 /nfs/dbraw/zinc/46/87/81/1066468781.db2.gz OWNCZRNREYFAAS-GHMZBOCLSA-N 0 0 320.776 4.366 20 10 DICDRN CCC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000756355508 1066468936 /nfs/dbraw/zinc/46/89/36/1066468936.db2.gz PLBSXMOGNSYBDI-GUYCJALGSA-N 0 0 314.385 4.492 20 10 DICDRN C[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1Cl ZINC000756340838 1066468996 /nfs/dbraw/zinc/46/89/96/1066468996.db2.gz LJPXCGXXSVYNRC-QWRGUYRKSA-N 0 0 320.776 4.366 20 10 DICDRN C[C@@H](NC(=O)Nc1ccc(F)cc1Cl)c1ccccc1O ZINC001310062350 1066478603 /nfs/dbraw/zinc/47/86/03/1066478603.db2.gz IFEOUDRVSJBTNL-SECBINFHSA-N 0 0 308.740 4.067 20 10 DICDRN O=C(Nc1ccc(Cl)c(Cl)c1)N1Cc2cccc(O)c2C1 ZINC001310096703 1066488404 /nfs/dbraw/zinc/48/84/04/1066488404.db2.gz AWEBOCKWKWHKJP-UHFFFAOYSA-N 0 0 323.179 4.247 20 10 DICDRN CCCCC[C@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001311376001 1066631843 /nfs/dbraw/zinc/63/18/43/1066631843.db2.gz SLRSXHCUFMJRBI-GJZGRUSLSA-N 0 0 305.466 4.082 20 10 DICDRN CCCCC[C@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001311376003 1066632046 /nfs/dbraw/zinc/63/20/46/1066632046.db2.gz SLRSXHCUFMJRBI-LSDHHAIUSA-N 0 0 305.466 4.082 20 10 DICDRN C[C@H](NC(=O)N[C@@H](C)C1CCCCCC1)c1ccccc1O ZINC001312473887 1066799240 /nfs/dbraw/zinc/79/92/40/1066799240.db2.gz DATCOFLSYHMLBN-KBPBESRZSA-N 0 0 304.434 4.111 20 10 DICDRN Cc1nc(CN(C)Cc2ccc(N3CCCCC3)cc2)cs1 ZINC000072953281 191257867 /nfs/dbraw/zinc/25/78/67/191257867.db2.gz KCZNDBKDJQMDSP-UHFFFAOYSA-N 0 0 315.486 4.074 20 10 DICDRN CC(C)c1ccc(SCC(=O)Nc2ccc(N)cc2)cc1 ZINC000019846262 182156404 /nfs/dbraw/zinc/15/64/04/182156404.db2.gz SXVRHCBLLNCHPL-UHFFFAOYSA-N 0 0 300.427 4.123 20 10 DICDRN COc1ccc(O)c([C@H](C)Nc2cccc(Br)c2)c1 ZINC000019941818 182168044 /nfs/dbraw/zinc/16/80/44/182168044.db2.gz XQDRQBMFRGTOJC-JTQLQIEISA-N 0 0 322.202 4.336 20 10 DICDRN Cc1nn(C)c(C)c1N[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000272173773 130005475 /nfs/dbraw/zinc/00/54/75/130005475.db2.gz XCAPIKVYLDPGTF-CQSZACIVSA-N 0 0 312.461 4.200 20 10 DICDRN CC(C)Oc1ccccc1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000273394973 130116369 /nfs/dbraw/zinc/11/63/69/130116369.db2.gz LRZHRSDSDQIUBY-CYBMUJFWSA-N 0 0 303.377 4.169 20 10 DICDRN COc1cc(OC)c(N[C@H](C)c2cc(C)ccc2O)cc1F ZINC000273449291 130123668 /nfs/dbraw/zinc/12/36/68/130123668.db2.gz OHKQZMWGGHUGII-LLVKDONJSA-N 0 0 305.349 4.030 20 10 DICDRN Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc3c(n2)CCCC3)c(O)c1 ZINC000285039771 131133601 /nfs/dbraw/zinc/13/36/01/131133601.db2.gz IAYUYJWXYOBEHO-HNNXBMFYSA-N 0 0 310.441 4.134 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1)c1ccc(F)cc1[O-] ZINC000286043872 131217176 /nfs/dbraw/zinc/21/71/76/131217176.db2.gz KRGWSCWNXIYOAU-SJCJKPOMSA-N 0 0 303.377 4.342 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)c1cn[nH]c1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287261331 131271936 /nfs/dbraw/zinc/27/19/36/131271936.db2.gz AJSHGNMFPFPIRC-SDBXPKJASA-N 0 0 314.216 4.224 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)Cc1c(C)noc1C)c1cccc(Cl)c1[O-] ZINC000287295891 131273686 /nfs/dbraw/zinc/27/36/86/131273686.db2.gz CEQAASNUMSFBHM-QLJPJBMISA-N 0 0 322.836 4.322 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)Cc1c(C)noc1C)c1cccc(Cl)c1[O-] ZINC000287295886 131274061 /nfs/dbraw/zinc/27/40/61/131274061.db2.gz CEQAASNUMSFBHM-QFYYESIMSA-N 0 0 322.836 4.322 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc(OC)c(O)c1)c1cccc(Cl)c1[O-] ZINC000287304456 131274755 /nfs/dbraw/zinc/27/47/55/131274755.db2.gz COZAVJZNYOQYHJ-AWEZNQCLSA-N 0 0 321.804 4.001 20 10 DICDRN CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1[O-] ZINC000287306278 131274776 /nfs/dbraw/zinc/27/47/76/131274776.db2.gz CSZYSGGXQKDQOH-AWEZNQCLSA-N 0 0 320.776 4.195 20 10 DICDRN CC[C@@H]([NH2+][C@H]1CCCOCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287576091 131287977 /nfs/dbraw/zinc/28/79/77/131287977.db2.gz HAYVVHXHAGFKAU-SMDDNHRTSA-N 0 0 318.244 4.309 20 10 DICDRN CC[C@H]([NH2+]Cc1sc(C)nc1C)c1cccc(Cl)c1[O-] ZINC000287631215 131291632 /nfs/dbraw/zinc/29/16/32/131291632.db2.gz KJCMDNICZWFMSY-ZDUSSCGKSA-N 0 0 310.850 4.360 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1[O-] ZINC000287729715 131298206 /nfs/dbraw/zinc/29/82/06/131298206.db2.gz PAYSDOJBGXPQGT-OAHLLOKOSA-N 0 0 320.776 4.195 20 10 DICDRN CC[C@H]([NH2+]CCCCn1ccnc1C)c1cccc(Cl)c1[O-] ZINC000287765837 131299689 /nfs/dbraw/zinc/29/96/89/131299689.db2.gz RETFRPCGEISPTQ-INIZCTEOSA-N 0 0 321.852 4.072 20 10 DICDRN Cc1ncc(C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])s1 ZINC000278884203 334102770 /nfs/dbraw/zinc/10/27/70/334102770.db2.gz YBDNQKATTUGPLI-ZETCQYMHSA-N 0 0 317.241 4.315 20 10 DICDRN CCOc1cc(N[C@H](C)c2ccc(C)cc2O)ccc1OC ZINC000192818046 336264241 /nfs/dbraw/zinc/26/42/41/336264241.db2.gz WWMCNDBMVKETGD-CYBMUJFWSA-N 0 0 301.386 4.281 20 10 DICDRN CN(C)c1ccc(CNc2ccnc3ccsc32)cc1F ZINC000301403488 336304672 /nfs/dbraw/zinc/30/46/72/336304672.db2.gz KDZOXDAVQZUJNM-UHFFFAOYSA-N 0 0 301.390 4.114 20 10 DICDRN Cc1cccc(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)n1 ZINC000302230164 336355134 /nfs/dbraw/zinc/35/51/34/336355134.db2.gz BTNPENHZJUIEIO-UHFFFAOYSA-N 0 0 307.372 4.304 20 10 DICDRN Cc1cnc(NCc2ccc(N3CCC(C)CC3)cc2)s1 ZINC000302873349 336372668 /nfs/dbraw/zinc/37/26/68/336372668.db2.gz DAHGZGBAWSOZMY-UHFFFAOYSA-N 0 0 301.459 4.300 20 10 DICDRN C[C@@H](Nc1ccc2c(c1)CCCC(=O)N2)c1ccc(N(C)C)cc1 ZINC000179813700 337172038 /nfs/dbraw/zinc/17/20/38/337172038.db2.gz CGCONHYQHQPIGY-CQSZACIVSA-N 0 0 323.440 4.201 20 10 DICDRN COc1ccccc1[C@H](N[C@@H](C)c1ccccc1O)c1ccco1 ZINC000183621801 337193992 /nfs/dbraw/zinc/19/39/92/337193992.db2.gz PFSOMUXWGSLZSY-XOBRGWDASA-N 0 0 323.392 4.434 20 10 DICDRN C[C@H]([NH2+]Cc1cccc(-c2ccccn2)c1)c1ccc(F)cc1[O-] ZINC000186150244 337254095 /nfs/dbraw/zinc/25/40/95/337254095.db2.gz STUYGZZKYRFZBX-AWEZNQCLSA-N 0 0 322.383 4.444 20 10 DICDRN C[C@H]([NH2+]CC[C@H]1CCCOC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000527922737 337775280 /nfs/dbraw/zinc/77/52/80/337775280.db2.gz ASUQFVWXNRPCEN-WDEREUQCSA-N 0 0 318.244 4.166 20 10 DICDRN C[C@@H]([NH2+]CC[C@H]1CCCOC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000527922730 337775327 /nfs/dbraw/zinc/77/53/27/337775327.db2.gz ASUQFVWXNRPCEN-GHMZBOCLSA-N 0 0 318.244 4.166 20 10 DICDRN C[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000527929106 337776002 /nfs/dbraw/zinc/77/60/02/337776002.db2.gz OCYBBIBNAFIPKK-MNOVXSKESA-N 0 0 318.244 4.166 20 10 DICDRN Cc1ccnc(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c1 ZINC000470500904 339321141 /nfs/dbraw/zinc/32/11/41/339321141.db2.gz QRTURYKTICLKGS-UHFFFAOYSA-N 0 0 307.372 4.304 20 10 DICDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccccc1C ZINC000471132597 339337937 /nfs/dbraw/zinc/33/79/37/339337937.db2.gz FRNIBZSXWJDINI-UHFFFAOYSA-N 0 0 307.397 4.117 20 10 DICDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1cc(C)ccc1C ZINC000471142796 339338334 /nfs/dbraw/zinc/33/83/34/339338334.db2.gz QBIRLLLKRIZUMD-UHFFFAOYSA-N 0 0 321.424 4.425 20 10 DICDRN Cc1c2ccccc2n(C)c1CNC(=O)c1sccc1C1CC1 ZINC000471220939 339340340 /nfs/dbraw/zinc/34/03/40/339340340.db2.gz QHWQNOBJLYMSGJ-UHFFFAOYSA-N 0 0 324.449 4.356 20 10 DICDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(Cl)s1 ZINC000471224569 339340442 /nfs/dbraw/zinc/34/04/42/339340442.db2.gz QEPPBWYMXIJKIX-UHFFFAOYSA-N 0 0 318.829 4.132 20 10 DICDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H](C)c1cccc(F)c1 ZINC000471229785 339340583 /nfs/dbraw/zinc/34/05/83/339340583.db2.gz FWFGCANGVZSHSY-CYBMUJFWSA-N 0 0 324.399 4.046 20 10 DICDRN CCN(C(=O)NCc1c(C)c2ccccc2n1C)[C@H](C)C(C)C ZINC000472221993 339366301 /nfs/dbraw/zinc/36/63/01/339366301.db2.gz GXZHGOXFEIGMQI-OAHLLOKOSA-N 0 0 315.461 4.063 20 10 DICDRN C[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1nccs1 ZINC000230694527 340620672 /nfs/dbraw/zinc/62/06/72/340620672.db2.gz CCNQERXASMGQNM-MRVPVSSYSA-N 0 0 317.241 4.049 20 10 DICDRN CCN(CC)c1ccc(CN[C@H](C)c2ncc(C)s2)cc1 ZINC000134910541 341226536 /nfs/dbraw/zinc/22/65/36/341226536.db2.gz VQIPBJGNDYKUAY-CQSZACIVSA-N 0 0 303.475 4.149 20 10 DICDRN CC[C@H](N[C@@H](C)c1noc(-c2ccccc2)n1)c1ccccc1O ZINC000156362837 522701419 /nfs/dbraw/zinc/70/14/19/522701419.db2.gz NQERWDHMPBABEG-BBRMVZONSA-N 0 0 323.396 4.244 20 10 DICDRN CC[C@@H](Nc1ccc(OCCOC)c(F)c1)c1ccccc1O ZINC000157209208 522957979 /nfs/dbraw/zinc/95/79/79/522957979.db2.gz MKCRSDKEWWALRR-MRXNPFEDSA-N 0 0 319.376 4.120 20 10 DICDRN CC(=O)Nc1cc(N[C@H](C)c2ccc(C)c(C)c2O)ccc1C ZINC000273497092 534718805 /nfs/dbraw/zinc/71/88/05/534718805.db2.gz PIFNFRIHLMWWLA-CQSZACIVSA-N 0 0 312.413 4.449 20 10 DICDRN Cc1ccc(N)cc1C(=O)Nc1cccc(N2CCC(C)CC2)c1 ZINC000262341543 524908009 /nfs/dbraw/zinc/90/80/09/524908009.db2.gz HAYWKSCMCHKIKE-UHFFFAOYSA-N 0 0 323.440 4.066 20 10 DICDRN C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])c1ccc(F)cc1F ZINC000191183071 525532361 /nfs/dbraw/zinc/53/23/61/525532361.db2.gz TXWBJKRJULQDLN-IUCAKERBSA-N 0 0 313.294 4.360 20 10 DICDRN C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)c1ccc(F)c(F)c1[O-] ZINC000191191117 525597689 /nfs/dbraw/zinc/59/76/89/525597689.db2.gz JSLKAXTYHGGLJZ-APPDUMDISA-N 0 0 303.352 4.472 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCCc2sccc21)c1ccc(F)c(F)c1[O-] ZINC000187922687 525640612 /nfs/dbraw/zinc/64/06/12/525640612.db2.gz LHQZJEHGVJDDTG-NOZJJQNGSA-N 0 0 309.381 4.460 20 10 DICDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C1CC=CC1 ZINC000181581199 526088919 /nfs/dbraw/zinc/08/89/19/526088919.db2.gz XSPFLUYIHJMVBQ-INIZCTEOSA-N 0 0 321.420 4.448 20 10 DICDRN CCSc1cc(C[NH2+][C@H](CC)c2ccc(F)cc2[O-])ccn1 ZINC000287660035 535731590 /nfs/dbraw/zinc/73/15/90/535731590.db2.gz VJHVWVYCCBRMDA-OAHLLOKOSA-N 0 0 320.433 4.279 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H](C)c1ncc(C)s1)c1ccc(F)cc1[O-] ZINC000286073655 535804482 /nfs/dbraw/zinc/80/44/82/535804482.db2.gz LFCRIYONVQIIQH-QMTHXVAHSA-N 0 0 308.422 4.141 20 10 DICDRN CC[C@H]([NH2+]Cc1ccccc1COC)c1cccc(Cl)c1[O-] ZINC000287714604 535920584 /nfs/dbraw/zinc/92/05/84/535920584.db2.gz OGHWVCCPHYYMEE-KRWDZBQOSA-N 0 0 319.832 4.433 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CCCC12CCOCC2)c1cccc(Cl)c1[O-] ZINC000286950776 535932900 /nfs/dbraw/zinc/93/29/00/535932900.db2.gz HJWHMOCEWWPLSM-JKSUJKDBSA-N 0 0 323.864 4.436 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1cccc(Cl)c1[O-] ZINC000287551097 535935176 /nfs/dbraw/zinc/93/51/76/535935176.db2.gz FQGVSQBALQVUBZ-KSYCFECVSA-N 0 0 309.837 4.044 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1cccc(Cl)c1[O-] ZINC000287551099 535935613 /nfs/dbraw/zinc/93/56/13/535935613.db2.gz FQGVSQBALQVUBZ-MSQAHXEGSA-N 0 0 309.837 4.044 20 10 DICDRN CC[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1cccc(Cl)c1[O-] ZINC000287771734 535947598 /nfs/dbraw/zinc/94/75/98/535947598.db2.gz RNQJULYBNITWDC-VBNZEHGJSA-N 0 0 309.837 4.044 20 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310.166 4.214 20 10 DICDRN CCOCCNC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255094315 1036518333 /nfs/dbraw/zinc/51/83/33/1036518333.db2.gz NVKHKKDWCJJHCU-UHFFFAOYSA-N 0 0 312.373 4.260 20 10 DICDRN Cn1ccc(Nc2ccccc2C(=O)c2ccc(Cl)cc2)n1 ZINC001210352799 1036635251 /nfs/dbraw/zinc/63/52/51/1036635251.db2.gz BWFFQQATFXBWPJ-UHFFFAOYSA-N 0 0 311.772 4.048 20 10 DICDRN C[C@@H](NC(=O)c1nc(-c2ccccc2)cs1)c1ccccc1O ZINC001648889944 1036672639 /nfs/dbraw/zinc/67/26/39/1036672639.db2.gz SVLTVVOBNRRKJB-GFCCVEGCSA-N 0 0 324.405 4.007 20 10 DICDRN C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1)c1ccccc1O ZINC001648891992 1036677089 /nfs/dbraw/zinc/67/70/89/1036677089.db2.gz KNRVZIOQEPYGFC-SZVBFZGTSA-N 0 0 323.436 4.228 20 10 DICDRN Cc1ccc(CCCCC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001648891544 1036677750 /nfs/dbraw/zinc/67/77/50/1036677750.db2.gz BBECPTYNOZSSMU-INIZCTEOSA-N 0 0 311.425 4.291 20 10 DICDRN C[C@@H](Cc1ccccc1Cl)C(=O)N[C@@H](C)c1ccccc1O ZINC001648892139 1036677799 /nfs/dbraw/zinc/67/77/99/1036677799.db2.gz NKCGXOXOANAHDZ-STQMWFEESA-N 0 0 317.816 4.102 20 10 DICDRN Cc1cc(C)cc(C[NH2+]Cc2cccc(Br)c2[O-])c1 ZINC000693192825 1036924600 /nfs/dbraw/zinc/92/46/00/1036924600.db2.gz QZBQEHWKSCLROL-UHFFFAOYSA-N 0 0 320.230 4.061 20 10 DICDRN CCn1c(C)cc(/C=C2/C(=O)Nc3ccc(Cl)cc32)c1C ZINC000728286373 1036982576 /nfs/dbraw/zinc/98/25/76/1036982576.db2.gz BYMXKSIATMGDJC-OVCLIPMQSA-N 0 0 300.789 4.271 20 10 DICDRN Cc1cnc(F)c(N(Cc2ccccc2)c2ccc(N)cc2)c1 ZINC001211506214 1037378495 /nfs/dbraw/zinc/37/84/95/1037378495.db2.gz QPZJWSFGQHOBAF-UHFFFAOYSA-N 0 0 307.372 4.450 20 10 DICDRN Cc1cnc(F)c(N(c2ccc(N)cc2)c2ccc(N)cc2)c1 ZINC001211508419 1037429148 /nfs/dbraw/zinc/42/91/48/1037429148.db2.gz ORLBUTUXPYLKGL-UHFFFAOYSA-N 0 0 308.360 4.163 20 10 DICDRN CCC[C@@H](C)CCCOc1ccc(N(C)C)c(C(=O)OC)c1 ZINC001307389175 1037429705 /nfs/dbraw/zinc/42/97/05/1037429705.db2.gz OCMXOFZMOSIHGI-CQSZACIVSA-N 0 0 307.434 4.134 20 10 DICDRN Oc1cccc(Br)c1CNc1cc(F)cc(F)c1 ZINC000706868325 1037518469 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ZINC000230234909 1038555791 /nfs/dbraw/zinc/55/57/91/1038555791.db2.gz NCLCDTSTFVWPLG-UHFFFAOYSA-N 0 0 306.203 4.384 20 10 DICDRN Fc1ccc(Br)c(F)c1CSc1nccs1 ZINC000230352195 1038564607 /nfs/dbraw/zinc/56/46/07/1038564607.db2.gz YUIHMNQULILFOV-UHFFFAOYSA-N 0 0 322.199 4.476 20 10 DICDRN C[C@H]([NH2+]Cc1ccc(Br)cc1)c1ccc(F)cc1[O-] ZINC000062744952 1038622212 /nfs/dbraw/zinc/62/22/12/1038622212.db2.gz IBMWLBJCUTYYBE-JTQLQIEISA-N 0 0 324.193 4.145 20 10 DICDRN C[C@@H](Nc1cc2c(cc1Cl)OCO2)c1ccc(F)cc1O ZINC000062746581 1038624599 /nfs/dbraw/zinc/62/45/99/1038624599.db2.gz QMKLAYQJIQHVSR-MRVPVSSYSA-N 0 0 309.724 4.087 20 10 DICDRN CC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708132036 1038954004 /nfs/dbraw/zinc/95/40/04/1038954004.db2.gz AGWAICOQEYOZPX-SECBINFHSA-N 0 0 318.642 4.040 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000120219589 1038976988 /nfs/dbraw/zinc/97/69/88/1038976988.db2.gz YEMYDQHADFQPNU-NXEZZACHSA-N 0 0 318.244 4.307 20 10 DICDRN C[C@@H]([NH2+]Cc1cccc(Br)c1[O-])C1CCCCC1 ZINC000052334508 1039316234 /nfs/dbraw/zinc/31/62/34/1039316234.db2.gz BVJZYNNDRROABA-LLVKDONJSA-N 0 0 312.251 4.213 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2ccccc2o1 ZINC000052851294 1039627577 /nfs/dbraw/zinc/62/75/77/1039627577.db2.gz DLCMCLHHYIHHRZ-UHFFFAOYSA-N 0 0 322.408 4.161 20 10 DICDRN CC[C@H]([NH2+]Cc1cc(F)ccc1OC)c1ccc(N(C)C)cc1 ZINC000187590014 1039654188 /nfs/dbraw/zinc/65/41/88/1039654188.db2.gz LZMOCUDSZYZTQT-SFHVURJKSA-N 0 0 316.420 4.141 20 10 DICDRN Cl/C=C/CN(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC001167676100 1039826347 /nfs/dbraw/zinc/82/63/47/1039826347.db2.gz YAQPNTWPNNLHMO-QHHAFSJGSA-N 0 0 321.829 4.278 20 10 DICDRN C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1[O-] ZINC000170783124 1039827851 /nfs/dbraw/zinc/82/78/51/1039827851.db2.gz DOAPVPCDFDLBEY-JTQLQIEISA-N 0 0 313.294 4.401 20 10 DICDRN COc1cccc(CNc2ccnc3cc(Cl)ccc32)c1O ZINC000091479388 1039848851 /nfs/dbraw/zinc/84/88/51/1039848851.db2.gz WBOSBSNOECUSIU-UHFFFAOYSA-N 0 0 314.772 4.215 20 10 DICDRN CCOC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCCC1 ZINC000312641776 1039873575 /nfs/dbraw/zinc/87/35/75/1039873575.db2.gz QJTHOJUSZFXQQO-UHFFFAOYSA-N 0 0 318.244 4.138 20 10 DICDRN O=C(OCSc1ncc(Cl)s1)OC1CCCCC1 ZINC000850000393 1040023651 /nfs/dbraw/zinc/02/36/51/1040023651.db2.gz TWSJVJQCGYPCOP-UHFFFAOYSA-N 0 0 307.824 4.332 20 10 DICDRN COc1ccc(N(Cc2ccco2)C[C@@H]2C[C@H]3C[C@H]3C2)cc1F ZINC001167681325 1040313691 /nfs/dbraw/zinc/31/36/91/1040313691.db2.gz XNOFIUQIUBZDMV-QDMKHBRRSA-N 0 0 315.388 4.480 20 10 DICDRN CCn1c2cccc(F)c2nc1/C(Cl)=C\c1cccnc1 ZINC000255838994 1040514996 /nfs/dbraw/zinc/51/49/96/1040514996.db2.gz LCUCQTQHWZZINB-FMIVXFBMSA-N 0 0 301.752 4.327 20 10 DICDRN CCOc1ccc(C[NH2+]CCCc2ccc(C)cc2C)c(O)c1 ZINC000725841581 1040545755 /nfs/dbraw/zinc/54/57/55/1040545755.db2.gz IEICPYCMTHHKSD-UHFFFAOYSA-N 0 0 313.441 4.130 20 10 DICDRN O=C(Nc1cccc(N2CCCC2)c1)c1ccc2c(c1)CCCC2 ZINC000096733490 1040569353 /nfs/dbraw/zinc/56/93/53/1040569353.db2.gz 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CC(C)[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CS1 ZINC000809776122 1041238645 /nfs/dbraw/zinc/23/86/45/1041238645.db2.gz VSALLLTYEPSMJW-AAEUAGOBSA-N 0 0 320.285 4.319 20 10 DICDRN CC[C@@H](c1ccncc1)[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000809765321 1041250660 /nfs/dbraw/zinc/25/06/60/1041250660.db2.gz MSSSOKLRVYHEPE-HNNXBMFYSA-N 0 0 308.784 4.163 20 10 DICDRN C[C@H](Nc1cncc(Br)c1)c1ccc(N(C)C)cc1 ZINC000302029988 1041254590 /nfs/dbraw/zinc/25/45/90/1041254590.db2.gz JPMQFHXESBYCFA-NSHDSACASA-N 0 0 320.234 4.083 20 10 DICDRN CCC[C@H](C)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC001132011304 1041295145 /nfs/dbraw/zinc/29/51/45/1041295145.db2.gz JXLYHHYGPAKWIJ-HNNXBMFYSA-N 0 0 312.457 4.189 20 10 DICDRN CC[C@H]([NH2+]CCc1cccnc1)c1ccc(C(F)(F)F)cc1O ZINC000810210319 1041347620 /nfs/dbraw/zinc/34/76/20/1041347620.db2.gz RLSURXMKYCNVFF-HNNXBMFYSA-N 0 0 324.346 4.089 20 10 DICDRN CC[C@H](C[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-])OC ZINC000810258905 1041349110 /nfs/dbraw/zinc/34/91/10/1041349110.db2.gz 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CCCC[C@@H](C)N(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000812199772 1041598811 /nfs/dbraw/zinc/59/88/11/1041598811.db2.gz GKYUWMSNRMOFRA-CABCVRRESA-N 0 0 305.466 4.034 20 10 DICDRN CCCOc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000185052119 1041605522 /nfs/dbraw/zinc/60/55/22/1041605522.db2.gz GHJWIIVTLWQGKT-ZDUSSCGKSA-N 0 0 303.377 4.171 20 10 DICDRN Cc1ccc([C@@H](C)[NH2+]Cc2coc(-c3cccs3)n2)c(O)c1 ZINC000185145805 1041607368 /nfs/dbraw/zinc/60/73/68/1041607368.db2.gz SKXISOLVQYOODU-GFCCVEGCSA-N 0 0 314.410 4.268 20 10 DICDRN O=C(CCCC1CC1)N(Cc1ccco1)Cc1ccccc1O ZINC000812512771 1041629712 /nfs/dbraw/zinc/62/97/12/1041629712.db2.gz JPLBVBAFQKTOHZ-UHFFFAOYSA-N 0 0 313.397 4.094 20 10 DICDRN CCC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])c1ccccn1 ZINC000756531722 1041687865 /nfs/dbraw/zinc/68/78/65/1041687865.db2.gz BOTJIHRPGDETRD-BZNIZROVSA-N 0 0 306.356 4.257 20 10 DICDRN COc1ccc(O)c([C@H](C)[NH2+]Cc2cc3cc(F)ccc3o2)c1 ZINC000813330775 1041697794 /nfs/dbraw/zinc/69/77/94/1041697794.db2.gz HFCRVPDNDQXVIG-NSHDSACASA-N 0 0 315.344 4.137 20 10 DICDRN CCOc1cccc(CNc2cccc(-c3ncco3)c2C)c1O ZINC000813784080 1041731538 /nfs/dbraw/zinc/73/15/38/1041731538.db2.gz QSZWXVCHHCTXPL-UHFFFAOYSA-N 0 0 324.380 4.366 20 10 DICDRN Cc1cc(COC(=O)c2cc(C)n(-c3ccccc3C)c2C)on1 ZINC000759786270 1041734245 /nfs/dbraw/zinc/73/42/45/1041734245.db2.gz CXRIUWHEZTYJPI-UHFFFAOYSA-N 0 0 324.380 4.056 20 10 DICDRN C[C@@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)c1ccc(F)cc1[O-] ZINC000813872884 1041740128 /nfs/dbraw/zinc/74/01/28/1041740128.db2.gz LBXWHRCMUPLZQW-NEPJUHHUSA-N 0 0 301.352 4.398 20 10 DICDRN COCC(C)(C)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000813882767 1041742432 /nfs/dbraw/zinc/74/24/32/1041742432.db2.gz JWMGTZJGFQCDFC-SECBINFHSA-N 0 0 306.233 4.022 20 10 DICDRN Cc1ccoc1C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000813882667 1041742771 /nfs/dbraw/zinc/74/27/71/1041742771.db2.gz GQNKJNGYXFTMBR-VIFPVBQESA-N 0 0 300.185 4.451 20 10 DICDRN Cc1ccc(O)c([C@H](C)Nc2cnn(Cc3ccccc3)c2)c1 ZINC000193928121 1041779173 /nfs/dbraw/zinc/77/91/73/1041779173.db2.gz BBTFXFXJDGTSLR-HNNXBMFYSA-N 0 0 307.397 4.119 20 10 DICDRN Cc1cc(Cl)ccc1/C=C1/SC(=S)N(C2CCC2)C1=O ZINC000814185807 1041787844 /nfs/dbraw/zinc/78/78/44/1041787844.db2.gz QCWCBRFYWMCNSX-MDWZMJQESA-N 0 0 323.870 4.402 20 10 DICDRN CCOc1ccc(O)c(CNc2ccc(SC)cc2OC)c1 ZINC000194496483 1041788207 /nfs/dbraw/zinc/78/82/07/1041788207.db2.gz BWLOJLFIVHMYPN-UHFFFAOYSA-N 0 0 319.426 4.134 20 10 DICDRN CCc1ccc(/C=C2/SC(=S)N(C3CCC3)C2=O)cc1 ZINC000814185336 1041788200 /nfs/dbraw/zinc/78/82/00/1041788200.db2.gz DUGFXQYWTWZYIM-GXDHUFHOSA-N 0 0 303.452 4.003 20 10 DICDRN Cc1cc(C)c(/C=C2\SC(=S)N(C3CCC3)C2=O)cc1C ZINC000814185705 1041788229 /nfs/dbraw/zinc/78/82/29/1041788229.db2.gz NRYZTBFSUPOBHK-DHDCSXOGSA-N 0 0 317.479 4.366 20 10 DICDRN CCCCN(C)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000814256790 1041796583 /nfs/dbraw/zinc/79/65/83/1041796583.db2.gz XBFGGKRIXSSVAC-UHFFFAOYSA-N 0 0 302.393 4.105 20 10 DICDRN Cc1ccc(/C=C2/SC(=S)N([C@@H]3CCCC[C@@H]3C)C2=O)o1 ZINC000814294133 1041801830 /nfs/dbraw/zinc/80/18/30/1041801830.db2.gz NISQLFROMMERBB-OMPDBFGFSA-N 0 0 321.467 4.368 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(O)cc2)cc1 ZINC000747936286 1041813788 /nfs/dbraw/zinc/81/37/88/1041813788.db2.gz SVJHSPQSXWTDOL-UHFFFAOYSA-N 0 0 306.365 4.052 20 10 DICDRN Cc1cc(O)c(CN(C)Cc2nccn2C(F)F)cc1C(C)C ZINC000124372732 1041836732 /nfs/dbraw/zinc/83/67/32/1041836732.db2.gz QXEBKLZLKHQSGS-UHFFFAOYSA-N 0 0 323.387 4.048 20 10 DICDRN Oc1cccc(Cl)c1CNCc1csc(-c2ccco2)n1 ZINC000124824747 1041845062 /nfs/dbraw/zinc/84/50/62/1041845062.db2.gz JDERGFXWZTXYEQ-UHFFFAOYSA-N 0 0 320.801 4.052 20 10 DICDRN CSCSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000814738456 1041860484 /nfs/dbraw/zinc/86/04/84/1041860484.db2.gz ZYQZIIIWVDITCE-AWEZNQCLSA-N 0 0 320.483 4.142 20 10 DICDRN CCCC[C@H](C(=O)NCc1ccc(N(C)C)cc1C)C(C)C ZINC001126004670 1041868160 /nfs/dbraw/zinc/86/81/60/1041868160.db2.gz IVWZANVWDSKDSQ-SFHVURJKSA-N 0 0 304.478 4.140 20 10 DICDRN CC(C)(C)C1CC([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000815146336 1041926306 /nfs/dbraw/zinc/92/63/06/1041926306.db2.gz FEESZQIJFUVTBT-UHFFFAOYSA-N 0 0 312.251 4.069 20 10 DICDRN C[C@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])c1ccncc1 ZINC000815586465 1041967902 /nfs/dbraw/zinc/96/79/02/1041967902.db2.gz JKQFYUQWQVSGAO-NEPJUHHUSA-N 0 0 324.346 4.260 20 10 DICDRN Cc1cc(C)c([C@@H](C)Nc2cccc(N3CCCC3=O)c2)c(O)c1 ZINC000815602287 1041971849 /nfs/dbraw/zinc/97/18/49/1041971849.db2.gz VIYSSYHSEMRISU-OAHLLOKOSA-N 0 0 324.424 4.309 20 10 DICDRN Cc1cc(C)c([C@@H](C)[NH2+]Cc2nc(C)c3ccccc3n2)c(O)c1 ZINC000815573722 1041972449 /nfs/dbraw/zinc/97/24/49/1041972449.db2.gz RJWAPGNPABHGCT-OAHLLOKOSA-N 0 0 321.424 4.111 20 10 DICDRN C[C@@H]([NH2+]C[C@@H]1CCCCS1)c1cccc(C(F)(F)F)c1[O-] ZINC000815614951 1041973942 /nfs/dbraw/zinc/97/39/42/1041973942.db2.gz DWYGGJJTRKJTRR-MNOVXSKESA-N 0 0 319.392 4.347 20 10 DICDRN CC[C@H](N[C@H](C)c1cccc(C(F)(F)F)c1O)C(F)(F)F ZINC000815619540 1041975379 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Cc1c(N[C@H](CCc2ccccc2)c2ccccc2O)cnn1C ZINC000815609357 1041981126 /nfs/dbraw/zinc/98/11/26/1041981126.db2.gz FKPRDOPPZFPEBG-GOSISDBHSA-N 0 0 321.424 4.220 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H](OC)C1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000815651126 1041985458 /nfs/dbraw/zinc/98/54/58/1041985458.db2.gz KRJDJPZWWBPUNO-ZIAGYGMSSA-N 0 0 318.244 4.165 20 10 DICDRN C[C@@H](Nc1ccc([C@@H]2CCOC2)cc1)c1cc(F)cc(F)c1O ZINC000815653440 1041986573 /nfs/dbraw/zinc/98/65/73/1041986573.db2.gz MEWIVIITLPFENW-DGCLKSJQSA-N 0 0 319.351 4.347 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)c1ccn(C(C)C)c1C ZINC000815797237 1041994001 /nfs/dbraw/zinc/99/40/01/1041994001.db2.gz HQAMLHHYKPDRNN-UHFFFAOYSA-N 0 0 314.429 4.135 20 10 DICDRN CN(C(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1CC(O)C1 ZINC000759928336 1042018896 /nfs/dbraw/zinc/01/88/96/1042018896.db2.gz SMECYRNFGYDWCI-UHFFFAOYSA-N 0 0 324.384 4.089 20 10 DICDRN Cc1sccc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000816612113 1042073950 /nfs/dbraw/zinc/07/39/50/1042073950.db2.gz GXVZYZLFJZHBBJ-UHFFFAOYSA-N 0 0 302.226 4.359 20 10 DICDRN NC(=O)N=Nc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 ZINC001135507683 1042038932 /nfs/dbraw/zinc/03/89/32/1042038932.db2.gz GIMFVCWRVNTQKN-UHFFFAOYSA-N 0 0 318.336 4.255 20 10 DICDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccc(F)cc1F ZINC000816531546 1042062137 /nfs/dbraw/zinc/06/21/37/1042062137.db2.gz VRGZHKOYCKDBEE-MRVPVSSYSA-N 0 0 315.722 4.314 20 10 DICDRN COc1ccccc1C(C)(C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816546856 1042063717 /nfs/dbraw/zinc/06/37/17/1042063717.db2.gz YXFZZPXICNKHFP-UHFFFAOYSA-N 0 0 323.795 4.218 20 10 DICDRN COCCOc1ccc(NCc2ccc3ccccc3c2O)cc1 ZINC000816523657 1042065252 /nfs/dbraw/zinc/06/52/52/1042065252.db2.gz YWGGDGPAVIVLMR-UHFFFAOYSA-N 0 0 323.392 4.183 20 10 DICDRN CC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccc(OC)cc1 ZINC000816528907 1042065622 /nfs/dbraw/zinc/06/56/22/1042065622.db2.gz XDENOEHPACPBKH-MRXNPFEDSA-N 0 0 323.795 4.434 20 10 DICDRN CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816586622 1042066498 /nfs/dbraw/zinc/06/64/98/1042066498.db2.gz MWOJVBJRYDBCHG-LLVKDONJSA-N 0 0 313.722 4.251 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1(c2ccccc2F)CC1 ZINC000816552784 1042066871 /nfs/dbraw/zinc/06/68/71/1042066871.db2.gz WRDXZVGOHDYFKH-UHFFFAOYSA-N 0 0 309.743 4.103 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000816591224 1042067210 /nfs/dbraw/zinc/06/72/10/1042067210.db2.gz XYGMFNXBQQNICQ-UHFFFAOYSA-N 0 0 305.780 4.352 20 10 DICDRN CCOc1cc(C)ccc1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816556217 1042067319 /nfs/dbraw/zinc/06/73/19/1042067319.db2.gz COZRRSDBCZMFCV-UHFFFAOYSA-N 0 0 323.795 4.182 20 10 DICDRN CC(C)[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])c1cccnc1 ZINC000816555888 1042067776 /nfs/dbraw/zinc/06/77/76/1042067776.db2.gz SOTRUSKGTYBERY-AWEZNQCLSA-N 0 0 322.811 4.109 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)CC(C)(C)C1CC1 ZINC000816593302 1042067934 /nfs/dbraw/zinc/06/79/34/1042067934.db2.gz MRFQAKLXXUQOQB-UHFFFAOYSA-N 0 0 303.446 4.347 20 10 DICDRN CS[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])C(C)(C)C ZINC000816567708 1042068457 /nfs/dbraw/zinc/06/84/57/1042068457.db2.gz JVGPUKGUDGISNH-ZDUSSCGKSA-N 0 0 305.846 4.052 20 10 DICDRN CC1([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCC(F)(F)CC1 ZINC000816568189 1042068804 /nfs/dbraw/zinc/06/88/04/1042068804.db2.gz ZRRAQWZBSNTUQO-UHFFFAOYSA-N 0 0 307.743 4.242 20 10 DICDRN Cc1cc(C(=O)NCCC(C)C)c(C)n1-c1cc(C)cc(C)c1 ZINC001135646751 1042073173 /nfs/dbraw/zinc/07/31/73/1042073173.db2.gz HQHONIBNBBJRTI-UHFFFAOYSA-N 0 0 312.457 4.487 20 10 DICDRN Oc1c(F)cc(Cl)cc1CNc1ccc([C@@H]2CCOC2)cc1 ZINC000816656403 1042076721 /nfs/dbraw/zinc/07/67/21/1042076721.db2.gz QMWAAUZIWLMMMY-GFCCVEGCSA-N 0 0 321.779 4.301 20 10 DICDRN CC(C)Oc1c(F)cc(Nc2ccc3c(c2)CCN3)cc1F ZINC001159523390 1042080536 /nfs/dbraw/zinc/08/05/36/1042080536.db2.gz ZDUMRXBNFYGZFR-UHFFFAOYSA-N 0 0 304.340 4.464 20 10 DICDRN Clc1cc(OCc2nccs2)ccc1N1CCCCC1 ZINC000817381984 1042104680 /nfs/dbraw/zinc/10/46/80/1042104680.db2.gz NDGNVLDMWKUDJY-UHFFFAOYSA-N 0 0 308.834 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CCC[C@H](NC(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000043712513 1044700650 /nfs/dbraw/zinc/70/06/50/1044700650.db2.gz NPHKBHBURIAPEA-KRWDZBQOSA-N 0 0 312.413 4.075 20 10 DICDRN Cc1ccc([C@@H](C)Nc2cccc([C@H]3CCCC(=O)N3)c2)c(O)c1 ZINC000886806699 1044704524 /nfs/dbraw/zinc/70/45/24/1044704524.db2.gz XSDDXTZTGLYFHN-RDTXWAMCSA-N 0 0 324.424 4.215 20 10 DICDRN CC(C)CC(C)(C)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000753294794 1044908538 /nfs/dbraw/zinc/90/85/38/1044908538.db2.gz LNMUAWPUPFBIQR-UHFFFAOYSA-N 0 0 316.489 4.365 20 10 DICDRN CCOc1ccc(OC)cc1N[C@@H](CC)c1ccccc1O ZINC000157750798 1044942705 /nfs/dbraw/zinc/94/27/05/1044942705.db2.gz CIONEEYJBAQRHS-HNNXBMFYSA-N 0 0 301.386 4.363 20 10 DICDRN CCC[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000302057197 1044964876 /nfs/dbraw/zinc/96/48/76/1044964876.db2.gz WCJSVDZVZOPSEY-FQEVSTJZSA-N 0 0 324.468 4.295 20 10 DICDRN Cc1c(F)nccc1Nc1ccccc1Cc1ccc(N)cc1 ZINC001212844197 1044980938 /nfs/dbraw/zinc/98/09/38/1044980938.db2.gz XMXWTSYGEFLBCM-UHFFFAOYSA-N 0 0 307.372 4.446 20 10 DICDRN CC[N@H+](Cc1cc(F)ccc1O)[C@@H](C)c1cccc(OC)c1 ZINC000778996421 1045110853 /nfs/dbraw/zinc/11/08/53/1045110853.db2.gz OINZXLWJYLIJOQ-ZDUSSCGKSA-N 0 0 303.377 4.123 20 10 DICDRN Oc1ccc(F)cc1C[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000779017929 1045141635 /nfs/dbraw/zinc/14/16/35/1045141635.db2.gz XWGDGYNBNIDLEH-UHFFFAOYSA-N 0 0 303.352 4.050 20 10 DICDRN CC[C@H](Nc1cc(OC)cc(OC)c1)c1ccc(N(C)C)cc1 ZINC000777543545 1045221879 /nfs/dbraw/zinc/22/18/79/1045221879.db2.gz CZJBXABQORGLJP-IBGZPJMESA-N 0 0 314.429 4.333 20 10 DICDRN Cc1cc([C@H]([NH2+]Cc2cc(F)ccc2O)C2CC2)ccc1F ZINC000779101324 1045277645 /nfs/dbraw/zinc/27/76/45/1045277645.db2.gz YKMNNXZROZPXJE-GOSISDBHSA-N 0 0 303.352 4.220 20 10 DICDRN C[C@H](Sc1nccs1)C(=O)Nc1cc(Cl)ccc1F ZINC000048875875 1045284625 /nfs/dbraw/zinc/28/46/25/1045284625.db2.gz ZXILEERNQSLUJZ-ZETCQYMHSA-N 0 0 316.810 4.055 20 10 DICDRN Oc1cccc2c1[C@H](Nc1cccc(C3CCOCC3)c1)CC2 ZINC000527994758 1045291876 /nfs/dbraw/zinc/29/18/76/1045291876.db2.gz KFMFJBYLFQNNRL-GOSISDBHSA-N 0 0 309.409 4.386 20 10 DICDRN C[C@H](Cc1ccsc1)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000049155047 1045309037 /nfs/dbraw/zinc/30/90/37/1045309037.db2.gz YHPHATYASAYMSE-SECBINFHSA-N 0 0 316.253 4.481 20 10 DICDRN C[C@@H]([NH2+]CCc1ccccc1)c1cc(Br)ccc1O ZINC000783647949 1045348660 /nfs/dbraw/zinc/34/86/60/1045348660.db2.gz WMZFYEFWBBTMHU-GFCCVEGCSA-N 0 0 320.230 4.048 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC2(C1)CCCC2 ZINC000779227172 1045376180 /nfs/dbraw/zinc/37/61/80/1045376180.db2.gz XJMHNXVVCIVKIX-UHFFFAOYSA-N 0 0 314.454 4.172 20 10 DICDRN CC(C)c1nc([C@H](C)NCc2ccc3c(c2)CCO3)cs1 ZINC000076900120 1045377228 /nfs/dbraw/zinc/37/72/28/1045377228.db2.gz AOJCRCUYTNKSOC-LBPRGKRZSA-N 0 0 302.443 4.052 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(Cl)cc1 ZINC000750853662 1045563514 /nfs/dbraw/zinc/56/35/14/1045563514.db2.gz HWGQXRVWGZCPHY-UHFFFAOYSA-N 0 0 318.804 4.490 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)Cc1ccccc1Cl ZINC000750861327 1045563796 /nfs/dbraw/zinc/56/37/96/1045563796.db2.gz CZJXJJNEZXHWHK-UHFFFAOYSA-N 0 0 317.816 4.027 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccccc1Cl ZINC000750853679 1045564193 /nfs/dbraw/zinc/56/41/93/1045564193.db2.gz HYOKPLXDWIVYDI-UHFFFAOYSA-N 0 0 318.804 4.490 20 10 DICDRN CC(C)CCC[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708072838 1045569115 /nfs/dbraw/zinc/56/91/15/1045569115.db2.gz KCNLDPBFPWGPTM-UHFFFAOYSA-N 0 0 320.658 4.334 20 10 DICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000800276598 1045601735 /nfs/dbraw/zinc/60/17/35/1045601735.db2.gz MPKXGPVSJONJHQ-SECBINFHSA-N 0 0 307.743 4.100 20 10 DICDRN COc1ccc(O)c([C@@H](C)Nc2ccc3scnc3c2)c1 ZINC000190702469 1045602782 /nfs/dbraw/zinc/60/27/82/1045602782.db2.gz GHGCTGUVXWUXRV-SNVBAGLBSA-N 0 0 300.383 4.184 20 10 DICDRN CC[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1nccs1 ZINC000078004033 1045630788 /nfs/dbraw/zinc/63/07/88/1045630788.db2.gz BHWMXLAVSXFMSD-LLVKDONJSA-N 0 0 317.241 4.396 20 10 DICDRN CCCC[C@H](C)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000800515320 1045636805 /nfs/dbraw/zinc/63/68/05/1045636805.db2.gz WZKCEQLZQHIWNN-HNNXBMFYSA-N 0 0 315.413 4.340 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000800526425 1045638896 /nfs/dbraw/zinc/63/88/96/1045638896.db2.gz INPRBBQZCXABKW-VIFPVBQESA-N 0 0 307.743 4.100 20 10 DICDRN CCCCCCOC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000751930226 1045642140 /nfs/dbraw/zinc/64/21/40/1045642140.db2.gz BUABHLDHRVEDGF-UHFFFAOYSA-N 0 0 318.442 4.053 20 10 DICDRN CCOc1ccc(N(CC)Cc2nc(C3CCCC3)no2)cc1 ZINC000752008550 1045649850 /nfs/dbraw/zinc/64/98/50/1045649850.db2.gz AFDNTWNWMJTSJK-UHFFFAOYSA-N 0 0 315.417 4.152 20 10 DICDRN Cc1cc(O)c(CNc2ccc(C(F)(F)F)nc2C)cc1C ZINC000800814184 1045652027 /nfs/dbraw/zinc/65/20/27/1045652027.db2.gz KPIHJKOZFCMJTG-UHFFFAOYSA-N 0 0 310.319 4.343 20 10 DICDRN Oc1ccc(Cl)cc1CNc1ccc(OC(F)F)cc1F ZINC000800896926 1045663948 /nfs/dbraw/zinc/66/39/48/1045663948.db2.gz AZEILKAVSZIJJW-UHFFFAOYSA-N 0 0 317.694 4.398 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(F)cc1 ZINC000800914531 1045668103 /nfs/dbraw/zinc/66/81/03/1045668103.db2.gz YBNZJSCYRONTNN-UHFFFAOYSA-N 0 0 316.376 4.366 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H](C)[C@H]1C ZINC000752474148 1045681012 /nfs/dbraw/zinc/68/10/12/1045681012.db2.gz QMEBMFVOIQKJAK-BXUZGUMPSA-N 0 0 302.443 4.026 20 10 DICDRN CCCCCCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001124549791 1045720211 /nfs/dbraw/zinc/72/02/11/1045720211.db2.gz RCIIPDGUJUMUBR-UHFFFAOYSA-N 0 0 302.462 4.216 20 10 DICDRN Cc1ccc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)cc1C ZINC001124549814 1045720928 /nfs/dbraw/zinc/72/09/28/1045720928.db2.gz RYJUZYMSYAJGEI-UHFFFAOYSA-N 0 0 322.452 4.176 20 10 DICDRN CCC(C)(C)c1ccccc1C(=O)NCc1ccc(N(C)C)cc1 ZINC001124552106 1045721122 /nfs/dbraw/zinc/72/11/22/1045721122.db2.gz BHJIQHUPMPPFIS-UHFFFAOYSA-N 0 0 324.468 4.370 20 10 DICDRN CC1(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)CC1 ZINC000753020359 1045723262 /nfs/dbraw/zinc/72/32/62/1045723262.db2.gz IGGBXUXHOICFJE-UHFFFAOYSA-N 0 0 316.445 4.037 20 10 DICDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCCC1(C)C ZINC001124623655 1045735163 /nfs/dbraw/zinc/73/51/63/1045735163.db2.gz VYDMMFPOELJECP-SFHVURJKSA-N 0 0 314.473 4.072 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(C)c(CC)o1 ZINC000801549430 1045735788 /nfs/dbraw/zinc/73/57/88/1045735788.db2.gz NTPDQRLQBRBRAY-UHFFFAOYSA-N 0 0 315.413 4.299 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(C)s1 ZINC000801548735 1045737268 /nfs/dbraw/zinc/73/72/68/1045737268.db2.gz NTWKZZLWYXXWKF-UHFFFAOYSA-N 0 0 303.427 4.205 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1cccn1C(C)C ZINC000801549992 1045737569 /nfs/dbraw/zinc/73/75/69/1045737569.db2.gz KNNCGGWBSWPOKV-UHFFFAOYSA-N 0 0 314.429 4.217 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc2[nH]ccc2c1 ZINC000801549006 1045737725 /nfs/dbraw/zinc/73/77/25/1045737725.db2.gz ALHLFDATHURCSG-UHFFFAOYSA-N 0 0 322.408 4.316 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)/C=C/c1ccccc1 ZINC000801548916 1045737738 /nfs/dbraw/zinc/73/77/38/1045737738.db2.gz WTFXGZAJGRJSOS-BUHFOSPRSA-N 0 0 309.409 4.234 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)CCc1ccsc1 ZINC000801550908 1045738069 /nfs/dbraw/zinc/73/80/69/1045738069.db2.gz FAJKWJOZTUZBAQ-UHFFFAOYSA-N 0 0 317.454 4.215 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(F)cc1C ZINC000801551567 1045739510 /nfs/dbraw/zinc/73/95/10/1045739510.db2.gz OBRIBJMDWMCFSM-UHFFFAOYSA-N 0 0 315.388 4.282 20 10 DICDRN COc1ccc(NCc2cc(C)ccc2O)cc1Br ZINC000078638707 1045749068 /nfs/dbraw/zinc/74/90/68/1045749068.db2.gz JVAYFEFWGIFVMC-UHFFFAOYSA-N 0 0 322.202 4.084 20 10 DICDRN Cc1ccc(/C=C\C(=O)N(C)c2cccc3ccccc32)cn1 ZINC000779472124 1045754185 /nfs/dbraw/zinc/75/41/85/1045754185.db2.gz QNKGLIGEUUCVKS-SEYXRHQNSA-N 0 0 302.377 4.219 20 10 DICDRN CC[C@@H]1CCC[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001124905327 1045796750 /nfs/dbraw/zinc/79/67/50/1045796750.db2.gz GASIQSJWJZEHJE-VQIMIIECSA-N 0 0 314.473 4.070 20 10 DICDRN CC(C)c1ccc2c(c1)[C@@H](NC(=O)NCc1ccccc1O)CC2 ZINC000779549745 1045811756 /nfs/dbraw/zinc/81/17/56/1045811756.db2.gz AOBUWZZOPXAEOA-SFHVURJKSA-N 0 0 324.424 4.002 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)[C@@H](C)CC ZINC000802025580 1045876952 /nfs/dbraw/zinc/87/69/52/1045876952.db2.gz CERTZFKQACMUNF-GJZGRUSLSA-N 0 0 306.450 4.139 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)[C@@H](C)CC ZINC000802025582 1045877160 /nfs/dbraw/zinc/87/71/60/1045877160.db2.gz CERTZFKQACMUNF-LSDHHAIUSA-N 0 0 306.450 4.139 20 10 DICDRN Cc1cc(C(=O)N(C)CCC2CC2)c(C)n1-c1ccc(F)cc1 ZINC001137641012 1045917196 /nfs/dbraw/zinc/91/71/96/1045917196.db2.gz ZZDBHWQRTTUAJV-UHFFFAOYSA-N 0 0 314.404 4.105 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[C@H]1CC ZINC000802237179 1045927408 /nfs/dbraw/zinc/92/74/08/1045927408.db2.gz ZQILUWVVPZJEQB-NVXWUHKLSA-N 0 0 318.461 4.283 20 10 DICDRN CCCOc1ccccc1N[C@@H](C)c1cc(OC)ccc1O ZINC000192732029 1045928475 /nfs/dbraw/zinc/92/84/75/1045928475.db2.gz JUZCCOUAHOZCIB-ZDUSSCGKSA-N 0 0 301.386 4.363 20 10 DICDRN CCN(Cc1ccccc1O)C(=O)Nc1ccc(C)c(Cl)c1 ZINC001202809341 1045935103 /nfs/dbraw/zinc/93/51/03/1045935103.db2.gz IYZRNGXAVXHBGU-UHFFFAOYSA-N 0 0 318.804 4.408 20 10 DICDRN CC(=O)CCCCCSc1ncc(-c2ccccc2)n1C ZINC000828808617 1045935684 /nfs/dbraw/zinc/93/56/84/1045935684.db2.gz STMDOPDBUPQAJZ-UHFFFAOYSA-N 0 0 302.443 4.329 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)NC1[C@@H](C)CCC[C@@H]1C ZINC000754925993 1045939082 /nfs/dbraw/zinc/93/90/82/1045939082.db2.gz GKJOWHRXDBQISI-GJZGRUSLSA-N 0 0 318.461 4.139 20 10 DICDRN CC[C@H](Nc1ccc(OC(F)F)nc1)c1ccc(C)cc1O ZINC000802320299 1045953631 /nfs/dbraw/zinc/95/36/31/1045953631.db2.gz ADFKBUDIRPOTSA-ZDUSSCGKSA-N 0 0 308.328 4.260 20 10 DICDRN [O-]c1cccc(F)c1C[N@@H+]1CCCC[C@@H]1c1ccccc1F ZINC001137837835 1045981600 /nfs/dbraw/zinc/98/16/00/1045981600.db2.gz WJDVONZACHISQD-QGZVFWFLSA-N 0 0 303.352 4.398 20 10 DICDRN Cc1cc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c(C)n1-c1ccccc1 ZINC001137854217 1045985140 /nfs/dbraw/zinc/98/51/40/1045985140.db2.gz NINZKIXKMQTTJQ-GHTZIAJQSA-N 0 0 324.468 4.095 20 10 DICDRN CC[C@@H]1CCN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000755497939 1045992542 /nfs/dbraw/zinc/99/25/42/1045992542.db2.gz LNEJGNUSQFHHPF-CQSZACIVSA-N 0 0 302.443 4.028 20 10 DICDRN COc1cc(SC)ccc1N[C@H](C)c1ccc(F)cc1O ZINC000193441170 1046013158 /nfs/dbraw/zinc/01/31/58/1046013158.db2.gz GZEATCPENAHBIZ-SNVBAGLBSA-N 0 0 307.390 4.435 20 10 DICDRN CC(=O)Nc1ccc(C)c(NCc2cc(Cl)cc(F)c2O)c1 ZINC000802639789 1046020020 /nfs/dbraw/zinc/02/00/20/1046020020.db2.gz FACIFJYFUDNJFS-UHFFFAOYSA-N 0 0 322.767 4.064 20 10 DICDRN Cc1ccc(Cc2ccccn2)cc1NCc1cc(F)ccc1O ZINC000802658555 1046028678 /nfs/dbraw/zinc/02/86/78/1046028678.db2.gz ATXDDWBJFXIDND-UHFFFAOYSA-N 0 0 322.383 4.438 20 10 DICDRN CC(C)CC1(CNC(=O)N(C)Cc2ccccc2O)CCCC1 ZINC000756079013 1046049838 /nfs/dbraw/zinc/04/98/38/1046049838.db2.gz RHAOEKVOZOOVIJ-UHFFFAOYSA-N 0 0 318.461 4.140 20 10 DICDRN C[C@H](CCCC(F)(F)F)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756081852 1046049982 /nfs/dbraw/zinc/04/99/82/1046049982.db2.gz YTCKRWDLUQMOHI-RKDXNWHRSA-N 0 0 311.294 4.442 20 10 DICDRN C[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCS1 ZINC000756147754 1046055379 /nfs/dbraw/zinc/05/53/79/1046055379.db2.gz UEEHWLGCCWTWTE-VIFPVBQESA-N 0 0 306.258 4.026 20 10 DICDRN C[C@H]([NH2+][C@H]1CCCc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000756340126 1046065145 /nfs/dbraw/zinc/06/51/45/1046065145.db2.gz DGUKWLGLYNEPAB-GTNSWQLSSA-N 0 0 303.352 4.399 20 10 DICDRN CCC(CC)[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756342609 1046067326 /nfs/dbraw/zinc/06/73/26/1046067326.db2.gz KAJZAXDUOLEGNG-MRVPVSSYSA-N 0 0 304.203 4.133 20 10 DICDRN C[C@H]([NH2+]CCc1c[nH]c2ccccc12)c1cc(F)cc(F)c1[O-] ZINC000756345888 1046067531 /nfs/dbraw/zinc/06/75/31/1046067531.db2.gz ZNXHDLMKDILTIY-NSHDSACASA-N 0 0 316.351 4.045 20 10 DICDRN Cc1cc(C(=O)N[C@H](C)C2CCC2)c(C)n1-c1ccccc1C ZINC001138043800 1046071616 /nfs/dbraw/zinc/07/16/16/1046071616.db2.gz AURYIEMXOKRFHO-OAHLLOKOSA-N 0 0 310.441 4.321 20 10 DICDRN CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756366572 1046073101 /nfs/dbraw/zinc/07/31/01/1046073101.db2.gz UYXAVRZBTFHXQK-VXGBXAGGSA-N 0 0 321.367 4.481 20 10 DICDRN CC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])c1ccccc1OC ZINC000756402493 1046075449 /nfs/dbraw/zinc/07/54/49/1046075449.db2.gz SIAFHWRMQJYQSK-BZNIZROVSA-N 0 0 321.367 4.481 20 10 DICDRN Cc1ccc(CC[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])o1 ZINC000756407626 1046075602 /nfs/dbraw/zinc/07/56/02/1046075602.db2.gz CYKHEOJENCQQGH-SNVBAGLBSA-N 0 0 314.212 4.494 20 10 DICDRN CC(C)Oc1ccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756396580 1046076212 /nfs/dbraw/zinc/07/62/12/1046076212.db2.gz PFYITIYPGWISFN-GFCCVEGCSA-N 0 0 321.367 4.308 20 10 DICDRN C[C@H]([NH2+]CC1(c2ccc(F)cc2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756417198 1046079138 /nfs/dbraw/zinc/07/91/38/1046079138.db2.gz KZQUFWGPSUYZDJ-NSHDSACASA-N 0 0 321.342 4.192 20 10 DICDRN C[C@@H](Cc1ccccc1F)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756446506 1046081988 /nfs/dbraw/zinc/08/19/88/1046081988.db2.gz QVNQCSIGWNDIKJ-QWRGUYRKSA-N 0 0 309.331 4.091 20 10 DICDRN C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)c1cc(F)cc(F)c1[O-] ZINC000756433902 1046082592 /nfs/dbraw/zinc/08/25/92/1046082592.db2.gz QXQKAJQAZQWQBU-GBIKHYSHSA-N 0 0 307.340 4.238 20 10 DICDRN CC(C)COc1ccccc1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756461936 1046083493 /nfs/dbraw/zinc/08/34/93/1046083493.db2.gz VXBYDRNSUYWHJJ-CQSZACIVSA-N 0 0 317.404 4.417 20 10 DICDRN Cc1ccc([C@H](C)Nc2cnn(Cc3ccccc3)c2)c(O)c1 ZINC000193928195 1046086203 /nfs/dbraw/zinc/08/62/03/1046086203.db2.gz AWDLWEREQIQALG-HNNXBMFYSA-N 0 0 307.397 4.119 20 10 DICDRN Cc1[nH]c2ccc(C[NH2+][C@@H](C)c3ccc(F)cc3[O-])cc2c1C ZINC000756466388 1046086658 /nfs/dbraw/zinc/08/66/58/1046086658.db2.gz QHUXBOZWPBSYBH-ZDUSSCGKSA-N 0 0 312.388 4.480 20 10 DICDRN CC[C@@H](Nc1cnn(Cc2ccccc2)c1)c1ccccc1O ZINC000193927229 1046086722 /nfs/dbraw/zinc/08/67/22/1046086722.db2.gz QYUFTEAVXVGCNE-GOSISDBHSA-N 0 0 307.397 4.200 20 10 DICDRN C[C@@H]([NH2+]CC1CCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756475972 1046087080 /nfs/dbraw/zinc/08/70/80/1046087080.db2.gz QULWAPJSDLBKLG-MRVPVSSYSA-N 0 0 318.642 4.259 20 10 DICDRN C[C@@H]([NH2+][C@H]1CCc2c1cccc2F)c1cc(F)cc(F)c1[O-] ZINC000756489698 1046089282 /nfs/dbraw/zinc/08/92/82/1046089282.db2.gz IKMHENLEXMEXAY-ABKXIKBNSA-N 0 0 307.315 4.148 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1cc(F)cc(F)c1[O-] ZINC000756491137 1046089550 /nfs/dbraw/zinc/08/95/50/1046089550.db2.gz SUEPHXASTRSHKF-XXFAHNHDSA-N 0 0 307.315 4.148 20 10 DICDRN COc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756498613 1046092122 /nfs/dbraw/zinc/09/21/22/1046092122.db2.gz YGKMASVPTDPEGR-GHMZBOCLSA-N 0 0 307.340 4.091 20 10 DICDRN CCc1nc([C@@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cs1 ZINC000756571373 1046100926 /nfs/dbraw/zinc/10/09/26/1046100926.db2.gz ZCKQKYSWJDKNMK-RKDXNWHRSA-N 0 0 312.385 4.101 20 10 DICDRN [O-]c1c(F)cccc1C[N@@H+]1CCCC[C@@H]1c1ccccc1F ZINC001138127756 1046102197 /nfs/dbraw/zinc/10/21/97/1046102197.db2.gz ONNSJKHITUDNEN-QGZVFWFLSA-N 0 0 303.352 4.398 20 10 DICDRN [O-]c1c(F)cccc1C[N@H+](Cc1ccccc1)Cc1ccncc1 ZINC001138122671 1046102906 /nfs/dbraw/zinc/10/29/06/1046102906.db2.gz UACPBIWRGQBNLZ-UHFFFAOYSA-N 0 0 322.383 4.129 20 10 DICDRN [O-]c1c(F)cccc1C[NH+]1CCC2(C=Cc3ccccc32)CC1 ZINC001138123664 1046103572 /nfs/dbraw/zinc/10/35/72/1046103572.db2.gz FLQWUOIAJCJUQI-UHFFFAOYSA-N 0 0 309.384 4.092 20 10 DICDRN C[C@H]([NH2+][C@H]1CSc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000756588777 1046104607 /nfs/dbraw/zinc/10/46/07/1046104607.db2.gz IOQBVLKTSBSCJE-XPTSAGLGSA-N 0 0 307.365 4.168 20 10 DICDRN [O-]c1c(F)cccc1C[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC001138129546 1046105144 /nfs/dbraw/zinc/10/51/44/1046105144.db2.gz JTXZHBSEVMSUHU-UHFFFAOYSA-N 0 0 317.379 4.125 20 10 DICDRN Cc1ccc([C@H](C)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000756592626 1046106861 /nfs/dbraw/zinc/10/68/61/1046106861.db2.gz JKVIWEVKAXELEF-ZIAGYGMSSA-N 0 0 314.385 4.063 20 10 DICDRN Cc1ccc(CC[C@@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])o1 ZINC000756609313 1046108675 /nfs/dbraw/zinc/10/86/75/1046108675.db2.gz MPXUZASWXKPQMN-ZYHUDNBSSA-N 0 0 309.356 4.244 20 10 DICDRN CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756625411 1046112692 /nfs/dbraw/zinc/11/26/92/1046112692.db2.gz KOGVTFJERGVCHY-GARJFASQSA-N 0 0 320.260 4.147 20 10 DICDRN C[C@@H]([NH2+][C@H]1CCCSC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756635973 1046114200 /nfs/dbraw/zinc/11/42/00/1046114200.db2.gz CTRRHMKOBBGOPR-BDAKNGLRSA-N 0 0 306.258 4.245 20 10 DICDRN COc1ccc(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])c(Cl)c1 ZINC000756648237 1046115709 /nfs/dbraw/zinc/11/57/09/1046115709.db2.gz ZTABJQXKOTVUOH-LLVKDONJSA-N 0 0 323.795 4.087 20 10 DICDRN CSCc1cc(F)ccc1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756643847 1046116030 /nfs/dbraw/zinc/11/60/30/1046116030.db2.gz AHGKMVRCURQBKD-LLVKDONJSA-N 0 0 323.408 4.384 20 10 DICDRN C[C@H]([NH2+]Cc1ccc(F)cn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756657686 1046117502 /nfs/dbraw/zinc/11/75/02/1046117502.db2.gz FJCYHSVCBGCOIJ-QMMMGPOBSA-N 0 0 315.175 4.084 20 10 DICDRN CCc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756684073 1046120380 /nfs/dbraw/zinc/12/03/80/1046120380.db2.gz KDIRZPVKSBWIBE-YVEFUNNKSA-N 0 0 315.388 4.268 20 10 DICDRN CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756684067 1046120618 /nfs/dbraw/zinc/12/06/18/1046120618.db2.gz KDIRZPVKSBWIBE-SJCJKPOMSA-N 0 0 315.388 4.268 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)N(C)C2CCCCC2)cc1 ZINC000195565107 1046123412 /nfs/dbraw/zinc/12/34/12/1046123412.db2.gz YJDVXTVZWBKICV-UHFFFAOYSA-N 0 0 317.477 4.007 20 10 DICDRN C[C@@H]([NH2+][C@H](C)C1CCC1)c1cc(Br)c(F)cc1[O-] ZINC000756769028 1046129968 /nfs/dbraw/zinc/12/99/68/1046129968.db2.gz HYAVLHNJPUXEQL-RKDXNWHRSA-N 0 0 316.214 4.133 20 10 DICDRN C[C@H]([NH2+]CCOCc1ccc(Cl)cc1)c1ccc(F)cc1[O-] ZINC000756770398 1046130128 /nfs/dbraw/zinc/13/01/28/1046130128.db2.gz KQWIHZYCFNLBRM-LBPRGKRZSA-N 0 0 323.795 4.052 20 10 DICDRN C[C@H]([NH2+]CC1(c2ccc(F)cc2F)CC1)c1ccc(F)cc1[O-] ZINC000756779217 1046131472 /nfs/dbraw/zinc/13/14/72/1046131472.db2.gz RHEUTCSBSFCYSC-NSHDSACASA-N 0 0 321.342 4.192 20 10 DICDRN Cc1c(CN(C)Cc2nc3ccccc3o2)c2ccccc2n1C ZINC001138258514 1046131660 /nfs/dbraw/zinc/13/16/60/1046131660.db2.gz UFFARKKEVDUFER-UHFFFAOYSA-N 0 0 319.408 4.260 20 10 DICDRN CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756783344 1046133718 /nfs/dbraw/zinc/13/37/18/1046133718.db2.gz XYZCKWCRLDOBQE-SOZUMNATSA-N 0 0 321.367 4.097 20 10 DICDRN CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756788905 1046136042 /nfs/dbraw/zinc/13/60/42/1046136042.db2.gz YKEDEYCJOCQZPY-OPQQBVKSSA-N 0 0 318.244 4.165 20 10 DICDRN COc1ccc(N[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)cc1F ZINC000756801306 1046136700 /nfs/dbraw/zinc/13/67/00/1046136700.db2.gz LLCVZJPELBLEAT-NOZJJQNGSA-N 0 0 305.324 4.339 20 10 DICDRN COc1ccc(N[C@@H]2C[C@H](C)c3c2c(O)ccc3F)cc1F ZINC000756801311 1046136902 /nfs/dbraw/zinc/13/69/02/1046136902.db2.gz LLCVZJPELBLEAT-TVQRCGJNSA-N 0 0 305.324 4.339 20 10 DICDRN COCCOc1cccc(N[C@H](C)c2ccc(C)c(C)c2O)c1 ZINC000756817830 1046140832 /nfs/dbraw/zinc/14/08/32/1046140832.db2.gz CNMHNNCBORGKJD-OAHLLOKOSA-N 0 0 315.413 4.207 20 10 DICDRN C[C@@H]([NH2+]C1(c2ccc(F)cc2)CCC1)c1ccc(F)cc1[O-] ZINC000756819632 1046140838 /nfs/dbraw/zinc/14/08/38/1046140838.db2.gz UOASCMUGNGKAHU-GFCCVEGCSA-N 0 0 303.352 4.400 20 10 DICDRN C[C@@H](Nc1ccc(OCC(F)F)cc1)c1cc(F)ccc1O ZINC000756838582 1046141615 /nfs/dbraw/zinc/14/16/15/1046141615.db2.gz NQFKIECKSMOIGY-SNVBAGLBSA-N 0 0 311.303 4.348 20 10 DICDRN COc1cc(F)c(N[C@H](C)c2ccc(C)c(C)c2O)cc1OC ZINC000756855669 1046144718 /nfs/dbraw/zinc/14/47/18/1046144718.db2.gz AHLJVOTYLVAQLG-GFCCVEGCSA-N 0 0 319.376 4.338 20 10 DICDRN CCOc1ccc(N[C@H](C)c2cc(F)cc(F)c2O)cc1OC ZINC000756865725 1046145797 /nfs/dbraw/zinc/14/57/97/1046145797.db2.gz JURAZTRPVIDYDJ-SNVBAGLBSA-N 0 0 323.339 4.251 20 10 DICDRN Cc1ccc([C@H](C)Nc2cncc(Br)c2)c(O)c1C ZINC000756859452 1046145823 /nfs/dbraw/zinc/14/58/23/1046145823.db2.gz SAQQBRAGZKFECP-NSHDSACASA-N 0 0 321.218 4.340 20 10 DICDRN C[C@H](C(=O)N(C)Cc1ccccc1O)c1ccc2ccccc2c1 ZINC000084631239 1046146150 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COc1ccc(N(Cc2nnc(C(C)C)s2)CC2CC2)cc1 ZINC000831594190 1046151009 /nfs/dbraw/zinc/15/10/09/1046151009.db2.gz RKPXGCPRNVRYQB-UHFFFAOYSA-N 0 0 317.458 4.087 20 10 DICDRN CCC1(C(=O)NCc2ccc(N3CCCCC3)cc2)CCCC1 ZINC000756923867 1046150993 /nfs/dbraw/zinc/15/09/93/1046150993.db2.gz LERABNDZVZDNCH-UHFFFAOYSA-N 0 0 314.473 4.264 20 10 DICDRN C[C@@H](Nc1cccc2ccncc21)c1cc(F)cc(F)c1O ZINC000757610088 1046192842 /nfs/dbraw/zinc/19/28/42/1046192842.db2.gz HROOJFUZQMKXEK-SNVBAGLBSA-N 0 0 300.308 4.392 20 10 DICDRN Cc1cn(CC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)c(C)n1 ZINC000760179430 1046197118 /nfs/dbraw/zinc/19/71/18/1046197118.db2.gz PTYIGHOIWCLSDW-UHFFFAOYSA-N 0 0 321.424 4.099 20 10 DICDRN CC(C)(C)c1cnc(SCC(=O)COc2ccccc2)s1 ZINC000795220365 1046207643 /nfs/dbraw/zinc/20/76/43/1046207643.db2.gz IBQOEXAYCFZNEC-UHFFFAOYSA-N 0 0 321.467 4.181 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCCC1(C)C ZINC000757762730 1046209794 /nfs/dbraw/zinc/20/97/94/1046209794.db2.gz GUPMONQOBKZYPV-KRWDZBQOSA-N 0 0 318.461 4.283 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OSZDWODXUAVFIE-JTQLQIEISA-N 0 0 308.809 4.182 20 10 DICDRN CC[C@H](NCc1nc(C(C)(C)C)co1)c1ccc(N(C)C)cc1 ZINC000903313788 1046236508 /nfs/dbraw/zinc/23/65/08/1046236508.db2.gz ZEXFZGAYPUGIOE-INIZCTEOSA-N 0 0 315.461 4.279 20 10 DICDRN COc1ccc(CNc2cc(C)c3ccc(C)cc3n2)c(O)c1 ZINC000795283579 1046241192 /nfs/dbraw/zinc/24/11/92/1046241192.db2.gz CITYAXCZWSHJEL-UHFFFAOYSA-N 0 0 308.381 4.178 20 10 DICDRN C[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@@H](c2ccsc2)O1 ZINC000245753714 1046266357 /nfs/dbraw/zinc/26/63/57/1046266357.db2.gz OIAHXJKFTBITGE-BZNIZROVSA-N 0 0 323.845 4.069 20 10 DICDRN CCOCSc1ncc(-c2ccccc2)n1CC(F)(F)F ZINC000758393287 1046266584 /nfs/dbraw/zinc/26/65/84/1046266584.db2.gz VUSDFZLYEYDQOR-UHFFFAOYSA-N 0 0 316.348 4.199 20 10 DICDRN CCN(C(=O)/C=C/c1ccc(Cl)nc1)c1ccccc1C ZINC000758490978 1046273662 /nfs/dbraw/zinc/27/36/62/1046273662.db2.gz IKMJWSWRXYXPDS-PKNBQFBNSA-N 0 0 300.789 4.110 20 10 DICDRN Cc1ccc(N(C)C(=O)/C=C/c2ccc(Cl)nc2)c(C)c1 ZINC000758565077 1046278706 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ZINC001202929744 1046441639 /nfs/dbraw/zinc/44/16/39/1046441639.db2.gz JHMHLDBIFYFWEK-UHFFFAOYSA-N 0 0 312.413 4.454 20 10 DICDRN Cc1nc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])sc1C ZINC000719582882 1046442985 /nfs/dbraw/zinc/44/29/85/1046442985.db2.gz ONHSKBUQACELGS-UHFFFAOYSA-N 0 0 317.241 4.062 20 10 DICDRN CO[C@@H]1CC=C(Nc2ccccc2Cc2ccc(N)cc2)CC1 ZINC001212883252 1046448052 /nfs/dbraw/zinc/44/80/52/1046448052.db2.gz LABOTQUWAQGJMW-LJQANCHMSA-N 0 0 308.425 4.354 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC(C)(C)C1 ZINC000781604550 1046459526 /nfs/dbraw/zinc/45/95/26/1046459526.db2.gz NPYWGZVETUYISH-KRWDZBQOSA-N 0 0 316.489 4.316 20 10 DICDRN Cc1cc(Br)c([O-])c(C[NH2+]CCC2=CCCC2)c1 ZINC000781636296 1046464494 /nfs/dbraw/zinc/46/44/94/1046464494.db2.gz PYEMNUJNWQYSHQ-UHFFFAOYSA-N 0 0 310.235 4.053 20 10 DICDRN CCC(C)(CC)[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000781632684 1046464557 /nfs/dbraw/zinc/46/45/57/1046464557.db2.gz VVRRLPWKVTUMBW-UHFFFAOYSA-N 0 0 300.240 4.131 20 10 DICDRN O=C1N[C@@H](c2cc(Cl)c3ccccc3c2O)Nc2ccccc21 ZINC000091516258 1046469967 /nfs/dbraw/zinc/46/99/67/1046469967.db2.gz BNHSRMWTORBIIL-KRWDZBQOSA-N 0 0 324.767 4.053 20 10 DICDRN Cc1cc(Br)c([O-])c(C[N@@H+](C)[C@H](C)C2(C)CC2)c1 ZINC000781909012 1046485732 /nfs/dbraw/zinc/48/57/32/1046485732.db2.gz NQVFLQXDAODZBX-LLVKDONJSA-N 0 0 312.251 4.084 20 10 DICDRN CCc1cnc(CN(C)c2ccc(OCc3ccccc3)cc2)o1 ZINC000781964666 1046489443 /nfs/dbraw/zinc/48/94/43/1046489443.db2.gz XJYFKLQBGZWUFP-UHFFFAOYSA-N 0 0 322.408 4.452 20 10 DICDRN Cc1cccc([C@@H]2CCC[N@@H+]2Cc2c(F)ccc(F)c2[O-])c1 ZINC001139685812 1046499493 /nfs/dbraw/zinc/49/94/93/1046499493.db2.gz XYMJFEGTWPXLQU-KRWDZBQOSA-N 0 0 303.352 4.316 20 10 DICDRN [O-]c1c(F)ccc(F)c1C[NH+]1CCC(c2ccccc2)CC1 ZINC001139681270 1046500139 /nfs/dbraw/zinc/50/01/39/1046500139.db2.gz NXPUSKGEHOMZFS-UHFFFAOYSA-N 0 0 303.352 4.050 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H](C(C)C)C1 ZINC001137299396 1046500064 /nfs/dbraw/zinc/50/00/64/1046500064.db2.gz QMQIQJUHQUQZKH-OAHLLOKOSA-N 0 0 316.470 4.274 20 10 DICDRN Cc1cc(C(=O)Nc2cccc(C)n2)c(C)n1-c1ccccc1C ZINC000247818106 1046500269 /nfs/dbraw/zinc/50/02/69/1046500269.db2.gz FKPNUWNZJCPIPF-UHFFFAOYSA-N 0 0 319.408 4.358 20 10 DICDRN COc1cc(N[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)ccc1F ZINC000783306725 1046576507 /nfs/dbraw/zinc/57/65/07/1046576507.db2.gz MALCNBGZUGECKP-NOZJJQNGSA-N 0 0 305.324 4.339 20 10 DICDRN CC(C)[C@H](CC(F)(F)F)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000783328380 1046582045 /nfs/dbraw/zinc/58/20/45/1046582045.db2.gz ADHYVBGWKHWLHP-PELKAZGASA-N 0 0 311.294 4.298 20 10 DICDRN CC(C)[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000783328382 1046583170 /nfs/dbraw/zinc/58/31/70/1046583170.db2.gz ADHYVBGWKHWLHP-QPUJVOFHSA-N 0 0 311.294 4.298 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)c1ccc(Cl)cc1[O-] ZINC000841753233 1046619281 /nfs/dbraw/zinc/61/92/81/1046619281.db2.gz YDLNJJBDRUFBID-GHJWDPDVSA-N 0 0 311.853 4.290 20 10 DICDRN Cc1cc(C(=O)N[C@H]2CCC2(C)C)c(C)n1-c1cccc(C)c1 ZINC001140230831 1046621241 /nfs/dbraw/zinc/62/12/41/1046621241.db2.gz GBSALAFABCLJMX-SFHVURJKSA-N 0 0 310.441 4.321 20 10 DICDRN Cc1n[nH]c(C)c1CN(C)c1ccc(OCc2ccccc2)cc1 ZINC000783714839 1046628063 /nfs/dbraw/zinc/62/80/63/1046628063.db2.gz GBIDHDHQMKOEFC-UHFFFAOYSA-N 0 0 321.424 4.242 20 10 DICDRN Cc1ccncc1/C=C\C(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000783839319 1046636176 /nfs/dbraw/zinc/63/61/76/1046636176.db2.gz HAHZVTLYOFGRDP-ZPIQOJFGSA-N 0 0 324.449 4.321 20 10 DICDRN CCN(C(=O)/C=C\c1cnccc1C)c1cccc(Cl)c1 ZINC000783892008 1046643821 /nfs/dbraw/zinc/64/38/21/1046643821.db2.gz ADMBMOMFXSBKIQ-FPLPWBNLSA-N 0 0 300.789 4.110 20 10 DICDRN Cc1ccncc1/C=C\C(=O)N1CC2(CCC2)c2c1cccc2F ZINC000783954722 1046647812 /nfs/dbraw/zinc/64/78/12/1046647812.db2.gz FSYICUTYCBSPIP-SREVYHEPSA-N 0 0 322.383 4.011 20 10 DICDRN Cc1ccncc1/C=C\C(=O)N(C)c1c(Cl)cccc1Cl ZINC000784086925 1046659647 /nfs/dbraw/zinc/65/96/47/1046659647.db2.gz AOOLTOWILUCVCJ-SREVYHEPSA-N 0 0 321.207 4.373 20 10 DICDRN C[C@H]([NH2+][C@H]1CCCc2c(F)cccc21)c1ccc(F)cc1[O-] ZINC000834814107 1046674188 /nfs/dbraw/zinc/67/41/88/1046674188.db2.gz FDYZTPCDPQDONX-GTNSWQLSSA-N 0 0 303.352 4.399 20 10 DICDRN C[C@@H]([NH2+]C[C@@H]1CSc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000834819378 1046676215 /nfs/dbraw/zinc/67/62/15/1046676215.db2.gz VFTGNAPGMUXDDL-GHMZBOCLSA-N 0 0 321.392 4.211 20 10 DICDRN CC[C@@H](C)CCC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000795770351 1046677424 /nfs/dbraw/zinc/67/74/24/1046677424.db2.gz VUFYDAPQWKKTFJ-MRXNPFEDSA-N 0 0 302.462 4.119 20 10 DICDRN CC[C@H]([NH2+]CC[C@@H](C)CCO)c1cc(Cl)cc(Cl)c1[O-] ZINC000834830265 1046678935 /nfs/dbraw/zinc/67/89/35/1046678935.db2.gz BCQRXBIWDFJFAL-YGRLFVJLSA-N 0 0 320.260 4.148 20 10 DICDRN C[C@@H](Nc1ccccc1OCCF)c1ccc(N(C)C)cc1 ZINC000834845222 1046683689 /nfs/dbraw/zinc/68/36/89/1046683689.db2.gz YGGLLIJEPKGZTJ-CQSZACIVSA-N 0 0 302.393 4.274 20 10 DICDRN Cc1cc(C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])ccn1 ZINC000834860773 1046688199 /nfs/dbraw/zinc/68/81/99/1046688199.db2.gz UCTLMMWMHRYQOM-SNVBAGLBSA-N 0 0 311.212 4.253 20 10 DICDRN Cc1cc(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])ccn1 ZINC000834860770 1046688294 /nfs/dbraw/zinc/68/82/94/1046688294.db2.gz UCNJALFOHGVATI-JTQLQIEISA-N 0 0 311.212 4.253 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H](C)CCCO)c1cc(Cl)cc(Cl)c1[O-] ZINC000834869673 1046690440 /nfs/dbraw/zinc/69/04/40/1046690440.db2.gz CJMBZIHPNKWZCV-IINYFYTJSA-N 0 0 320.260 4.148 20 10 DICDRN C[C@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000834878111 1046694848 /nfs/dbraw/zinc/69/48/48/1046694848.db2.gz QCFZFUOLRXKBOB-OHUAYANFSA-N 0 0 319.351 4.233 20 10 DICDRN CC(C)[C@H]1C[C@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2O)CCO1 ZINC000834885356 1046698118 /nfs/dbraw/zinc/69/81/18/1046698118.db2.gz IVTAOUOPWKRKAR-OGHNNQOOSA-N 0 0 311.853 4.147 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)c1nccn1CC)c1cccc(Cl)c1[O-] ZINC000834892626 1046702252 /nfs/dbraw/zinc/70/22/52/1046702252.db2.gz CCHGKCORQRPNCO-BXUZGUMPSA-N 0 0 307.825 4.064 20 10 DICDRN CCc1ncc(C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])o1 ZINC000834899118 1046710540 /nfs/dbraw/zinc/71/05/40/1046710540.db2.gz IFOTZXAYTARWFH-QMMMGPOBSA-N 0 0 315.200 4.100 20 10 DICDRN CCc1ncc(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])o1 ZINC000834901048 1046713079 /nfs/dbraw/zinc/71/30/79/1046713079.db2.gz WEHLMXKUKOHOSO-MRVPVSSYSA-N 0 0 315.200 4.100 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)c1ccc(F)cc1[O-] ZINC000796676122 1046716997 /nfs/dbraw/zinc/71/69/97/1046716997.db2.gz DGIMSSBQQDWBGD-NHYWBVRUSA-N 0 0 317.360 4.062 20 10 DICDRN CC[C@H]([NH2+]CCCOC1CCCCC1)c1ccc(F)cc1[O-] ZINC000796676538 1046717167 /nfs/dbraw/zinc/71/71/67/1046717167.db2.gz SREVHXNYEQKCHQ-KRWDZBQOSA-N 0 0 309.425 4.311 20 10 DICDRN CC[C@H]([NH2+]CCCc1ccc(OC)cc1)c1ccc(F)cc1[O-] ZINC000796701729 1046720012 /nfs/dbraw/zinc/72/00/12/1046720012.db2.gz IGLNQMLUCUTUNV-SFHVURJKSA-N 0 0 317.404 4.213 20 10 DICDRN CCOc1ccc(C[NH2+][C@H](CC)c2ccc(F)cc2[O-])cc1 ZINC000796702848 1046720776 /nfs/dbraw/zinc/72/07/76/1046720776.db2.gz CWQZCEJUWXBCEC-QGZVFWFLSA-N 0 0 303.377 4.171 20 10 DICDRN CC[C@@H]([NH2+][C@@H]1CCc2c1cccc2OC)c1ccc(F)cc1[O-] ZINC000796795621 1046734238 /nfs/dbraw/zinc/73/42/38/1046734238.db2.gz MEBBXYSQNCQKMZ-IAGOWNOFSA-N 0 0 315.388 4.268 20 10 DICDRN CCOc1cc(C)ccc1C[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000796794113 1046734329 /nfs/dbraw/zinc/73/43/29/1046734329.db2.gz YVRLJXFUIWQPKR-KRWDZBQOSA-N 0 0 317.404 4.479 20 10 DICDRN CC[C@@H]([NH2+]Cc1cc(C)ccc1OC)c1ccc(F)cc1[O-] ZINC000796796719 1046735032 /nfs/dbraw/zinc/73/50/32/1046735032.db2.gz FUCFQGNWGFIMNP-MRXNPFEDSA-N 0 0 303.377 4.089 20 10 DICDRN COc1cccc([C@H]2CC[N@H+](Cc3ccc(Cl)cc3O)C2)c1 ZINC001140464642 1046735399 /nfs/dbraw/zinc/73/53/99/1046735399.db2.gz YLDGKHGQEKXNFX-AWEZNQCLSA-N 0 0 317.816 4.044 20 10 DICDRN COc1ccc([C@H]2CC[N@H+](Cc3ccc(Cl)cc3O)C2)cc1 ZINC001140464471 1046735867 /nfs/dbraw/zinc/73/58/67/1046735867.db2.gz RALDTOHBLKQKOM-AWEZNQCLSA-N 0 0 317.816 4.044 20 10 DICDRN CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(Cl)cc1O ZINC001140464255 1046736835 /nfs/dbraw/zinc/73/68/35/1046736835.db2.gz IRBXYAIWCNVEFX-UHFFFAOYSA-N 0 0 305.805 4.076 20 10 DICDRN CC[C@@H]([NH2+]C[C@H](C)Oc1ccccc1)c1ccc(F)cc1[O-] ZINC000796816181 1046738209 /nfs/dbraw/zinc/73/82/09/1046738209.db2.gz JPZTTYMEINRMBN-SUMWQHHRSA-N 0 0 303.377 4.040 20 10 DICDRN CC[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1ccc(F)cc1[O-] ZINC000796821306 1046740136 /nfs/dbraw/zinc/74/01/36/1046740136.db2.gz UAELWGCUILXDMA-SJORKVTESA-N 0 0 303.352 4.399 20 10 DICDRN CC[C@@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1ccc(F)cc1[O-] ZINC000796821301 1046740977 /nfs/dbraw/zinc/74/09/77/1046740977.db2.gz UAELWGCUILXDMA-IAGOWNOFSA-N 0 0 303.352 4.399 20 10 DICDRN CC[C@H]([NH2+][C@H]1COc2ccc(C)cc21)c1ccc(F)cc1[O-] ZINC000796833007 1046742970 /nfs/dbraw/zinc/74/29/70/1046742970.db2.gz VRDJWVYKRRHJDY-HOTGVXAUSA-N 0 0 301.361 4.014 20 10 DICDRN Cc1cccc([C@@H]2CCC[N@H+]2C/C=C\c2ccc(N(C)C)cc2)n1 ZINC000835030676 1046744988 /nfs/dbraw/zinc/74/49/88/1046744988.db2.gz YIWHHZMSAZPJMC-DPVXCJKMSA-N 0 0 321.468 4.306 20 10 DICDRN CC(C)[N@H+](C/C=C/c1ccc(N(C)C)cc1)Cc1ccccn1 ZINC000835026740 1046745153 /nfs/dbraw/zinc/74/51/53/1046745153.db2.gz GFVMFLWGFMWXJJ-BQYQJAHWSA-N 0 0 309.457 4.071 20 10 DICDRN CC[C@H]([NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)c1ccc(F)cc1[O-] ZINC000796853677 1046746705 /nfs/dbraw/zinc/74/67/05/1046746705.db2.gz PTIYSKSOTPCITA-QRTARXTBSA-N 0 0 309.425 4.166 20 10 DICDRN CC[C@@H]([NH2+]C1(c2cccc(F)c2)CC1)c1ccc(F)cc1[O-] ZINC000796880082 1046749990 /nfs/dbraw/zinc/74/99/90/1046749990.db2.gz AZLQAQWZLMBHMC-MRXNPFEDSA-N 0 0 303.352 4.400 20 10 DICDRN CN(C)c1ccc(/C=C\CN2CC(C)(C)[C@H]2c2ccncc2)cc1 ZINC000835055757 1046751442 /nfs/dbraw/zinc/75/14/42/1046751442.db2.gz OJCWZQYSMGBGFV-KKHYBRAUSA-N 0 0 321.468 4.244 20 10 DICDRN CC[C@H](Nc1cccc(OCCOC)c1)c1ccc(F)cc1O ZINC000796869819 1046751600 /nfs/dbraw/zinc/75/16/00/1046751600.db2.gz PYLHVPGPZDQOMJ-KRWDZBQOSA-N 0 0 319.376 4.120 20 10 DICDRN CC[C@H]([NH2+]C1(c2ccc(OC)cc2)CC1)c1ccc(F)cc1[O-] ZINC000796879247 1046751804 /nfs/dbraw/zinc/75/18/04/1046751804.db2.gz OEQONFQGYKNTBW-KRWDZBQOSA-N 0 0 315.388 4.270 20 10 DICDRN C[C@@H](O)c1cc(NC/C=C/c2ccc(N(C)C)cc2)ccc1F ZINC000835054249 1046751958 /nfs/dbraw/zinc/75/19/58/1046751958.db2.gz TYJDZNPVNPLXCR-ISZGNANSSA-N 0 0 314.404 4.070 20 10 DICDRN CC[C@@H](Nc1ccc2c(c1)CCCN2C)c1ccc(F)cc1O ZINC000796908823 1046756446 /nfs/dbraw/zinc/75/64/46/1046756446.db2.gz YJNJGWBHPCXYGK-QGZVFWFLSA-N 0 0 314.404 4.477 20 10 DICDRN CC[C@H](Nc1ccc(N(C)C)c(C)c1)c1ccc(F)cc1O ZINC000796912799 1046757459 /nfs/dbraw/zinc/75/74/59/1046757459.db2.gz NURXJCXIOMGGGO-INIZCTEOSA-N 0 0 302.393 4.469 20 10 DICDRN C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000797077233 1046786554 /nfs/dbraw/zinc/78/65/54/1046786554.db2.gz DFPLPNRWDHYCIN-OUAUKWLOSA-N 0 0 318.244 4.022 20 10 DICDRN CN(C)c1ccc(CN(C)Cc2cccc(F)c2Cl)cc1 ZINC001140567642 1046788071 /nfs/dbraw/zinc/78/80/71/1046788071.db2.gz GPDCZLOKCDYVGX-UHFFFAOYSA-N 0 0 306.812 4.177 20 10 DICDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC001140583860 1046792848 /nfs/dbraw/zinc/79/28/48/1046792848.db2.gz WKRQNAWITXXYFH-LLVKDONJSA-N 0 0 323.770 4.313 20 10 DICDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001140583255 1046793352 /nfs/dbraw/zinc/79/33/52/1046793352.db2.gz BMYIPGQMUBOWET-LBPRGKRZSA-N 0 0 323.770 4.313 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)c1sccc1Cl ZINC000797194494 1046799277 /nfs/dbraw/zinc/79/92/77/1046799277.db2.gz UQNVDIVUQPCDSK-UHFFFAOYSA-N 0 0 309.818 4.160 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C)ccc1C ZINC000302816452 1046811795 /nfs/dbraw/zinc/81/17/95/1046811795.db2.gz WCDJHZFPEOUNJL-UHFFFAOYSA-N 0 0 310.441 4.032 20 10 DICDRN Cc1ccc(O)c(CN2CC[C@H](c3ccccc3)C(F)(F)C2)c1 ZINC001140624447 1046817506 /nfs/dbraw/zinc/81/75/06/1046817506.db2.gz WWJYRSOQNNJXHP-QGZVFWFLSA-N 0 0 317.379 4.325 20 10 DICDRN C[N@H+](Cc1cc(Cl)c([O-])c(Cl)c1)Cc1ccccc1O ZINC001140833429 1046923232 /nfs/dbraw/zinc/92/32/32/1046923232.db2.gz VQYVPYKLBDDIJE-UHFFFAOYSA-N 0 0 312.196 4.037 20 10 DICDRN O=C(/C=C\c1ccc(Cl)nc1)N1CCCCc2sccc21 ZINC000798047107 1046925508 /nfs/dbraw/zinc/92/55/08/1046925508.db2.gz BEXYFQCKIOFZGR-ALCCZGGFSA-N 0 0 318.829 4.179 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000798086119 1046926893 /nfs/dbraw/zinc/92/68/93/1046926893.db2.gz KBDKHHAZBUZLSQ-FUKZOUPISA-N 0 0 323.770 4.360 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000798085823 1046926981 /nfs/dbraw/zinc/92/69/81/1046926981.db2.gz BFKGARRVTAJAQY-MJHDQNEOSA-N 0 0 323.770 4.360 20 10 DICDRN C[C@@H]([NH2+]C[C@]1(C)CCCS1)c1cccc(C(F)(F)F)c1[O-] ZINC000798182100 1046935135 /nfs/dbraw/zinc/93/51/35/1046935135.db2.gz QEVVRBAKHIWOCG-YGRLFVJLSA-N 0 0 319.392 4.347 20 10 DICDRN CCC[N@H+](CCSc1ccccc1)Cc1ccccc1O ZINC000303663115 1046941981 /nfs/dbraw/zinc/94/19/81/1046941981.db2.gz DSJDTHKVTAHSGD-UHFFFAOYSA-N 0 0 301.455 4.397 20 10 DICDRN Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccccc3C)C2)c(O)c1 ZINC001140949583 1046957873 /nfs/dbraw/zinc/95/78/73/1046957873.db2.gz FLRIZEMONKZBEN-GOSISDBHSA-N 0 0 311.425 4.052 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000827388839 1046960440 /nfs/dbraw/zinc/96/04/40/1046960440.db2.gz JJQUXYCRXGDLFQ-UHFFFAOYSA-N 0 0 319.754 4.242 20 10 DICDRN Cc1cccc(CNc2cc(-c3ccnn3C)ccc2C)c1O ZINC000798960097 1046993016 /nfs/dbraw/zinc/99/30/16/1046993016.db2.gz RVMNLFUKHYBYQA-UHFFFAOYSA-N 0 0 307.397 4.022 20 10 DICDRN CCN(C(=O)/C=C/c1scnc1C)c1ccc(Cl)c(F)c1 ZINC000799409382 1047027245 /nfs/dbraw/zinc/02/72/45/1047027245.db2.gz YQNRLSPCVJDSFZ-VOTSOKGWSA-N 0 0 324.808 4.310 20 10 DICDRN CN1C(=O)/C(=C/c2scnc2C2CC2)c2cc(Cl)ccc21 ZINC000799501623 1047038421 /nfs/dbraw/zinc/03/84/21/1047038421.db2.gz JTGNFFWZOQMIBG-KPKJPENVSA-N 0 0 316.813 4.191 20 10 DICDRN C[C@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1cc(F)cc(F)c1[O-] ZINC000799728347 1047059747 /nfs/dbraw/zinc/05/97/47/1047059747.db2.gz KKUXURHJUFNYLL-NSHDSACASA-N 0 0 316.351 4.045 20 10 DICDRN CC(C)c1ccc([C@H](C)CC(=O)NCc2ccc(N)cc2)cc1 ZINC000837303516 1047068250 /nfs/dbraw/zinc/06/82/50/1047068250.db2.gz UQKOFYYVHSGYCP-OAHLLOKOSA-N 0 0 310.441 4.202 20 10 DICDRN Cc1cc(C(=O)N2CC[C@H]2C2CC2)c(C)n1-c1cccc(C)c1 ZINC001141259705 1047068702 /nfs/dbraw/zinc/06/87/02/1047068702.db2.gz CBKHFTDEFXHHTD-IBGZPJMESA-N 0 0 308.425 4.027 20 10 DICDRN Cc1cc(Cl)nc(CNC(=S)Nc2cccc(C)c2C)c1 ZINC000799899422 1047072691 /nfs/dbraw/zinc/07/26/91/1047072691.db2.gz STCXQAJEALEUOV-UHFFFAOYSA-N 0 0 319.861 4.147 20 10 DICDRN COc1ccc(O)c([C@@H](C)Nc2ccc(OC)c(SC)c2)c1 ZINC000839152374 1047198668 /nfs/dbraw/zinc/19/86/68/1047198668.db2.gz MINUBUYIVOVDIB-LLVKDONJSA-N 0 0 319.426 4.304 20 10 DICDRN CC[N@H+](Cc1ccc2cc(F)ccc2n1)Cc1ccccc1O ZINC001141650756 1047248281 /nfs/dbraw/zinc/24/82/81/1047248281.db2.gz GXPNXIXAYVHNCC-UHFFFAOYSA-N 0 0 310.372 4.102 20 10 DICDRN O=C(C1=CC(=O)CS1)N1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000839793090 1047269583 /nfs/dbraw/zinc/26/95/83/1047269583.db2.gz SAQJSEWYECFPIT-INIZCTEOSA-N 0 0 313.422 4.211 20 10 DICDRN Cc1cc(CNCc2csc(C)n2)c(C)n1-c1ccccc1 ZINC000386866148 1047281271 /nfs/dbraw/zinc/28/12/71/1047281271.db2.gz CHPJWNCVOUXXBT-UHFFFAOYSA-N 0 0 311.454 4.149 20 10 DICDRN Cc1cc(-c2nnc(CC3CC3)o2)c(C)n1-c1ccccc1C ZINC001118358913 1047283357 /nfs/dbraw/zinc/28/33/57/1047283357.db2.gz XACSIGFPWHGRTO-UHFFFAOYSA-N 0 0 307.397 4.405 20 10 DICDRN CCC(=O)N1CCc2ccc(N[C@@H](CC)c3ccccc3O)cc21 ZINC000897767031 1047287391 /nfs/dbraw/zinc/28/73/91/1047287391.db2.gz MTAJAIBQEQQVMH-KRWDZBQOSA-N 0 0 324.424 4.255 20 10 DICDRN Oc1cccc2c1[C@@H](Nc1ccc(OC(F)F)c(F)c1)CC2 ZINC000389843931 1047291562 /nfs/dbraw/zinc/29/15/62/1047291562.db2.gz SECXOFQPUSLQJG-LBPRGKRZSA-N 0 0 309.287 4.232 20 10 DICDRN O=C(c1ccccc1)c1ccccc1Nc1cccc(CCO)c1 ZINC001203114347 1047292334 /nfs/dbraw/zinc/29/23/34/1047292334.db2.gz GJUOFGXUBAFDGE-UHFFFAOYSA-N 0 0 317.388 4.196 20 10 DICDRN C[C@@H]([NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC001118489681 1047299882 /nfs/dbraw/zinc/29/98/82/1047299882.db2.gz RHOZHOMOXXFVMV-GTDKDYCYSA-N 0 0 322.182 4.393 20 10 DICDRN CCN(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CC(C)(C)C1 ZINC000840354840 1047300917 /nfs/dbraw/zinc/30/09/17/1047300917.db2.gz QDSIIBIROUAEBL-AWEZNQCLSA-N 0 0 317.477 4.034 20 10 DICDRN CCC1(C(=O)N[C@H](C)c2ccccc2O)CCC(F)(F)CC1 ZINC000827955963 1047308914 /nfs/dbraw/zinc/30/89/14/1047308914.db2.gz IDCNDZNPYZINBN-GFCCVEGCSA-N 0 0 311.372 4.175 20 10 DICDRN CC[C@H](C)Oc1cccc(NCc2cc(OC)ccc2O)c1 ZINC000393418444 1047309709 /nfs/dbraw/zinc/30/97/09/1047309709.db2.gz UNSCZFYCDVJJIQ-ZDUSSCGKSA-N 0 0 301.386 4.190 20 10 DICDRN CCN(Cc1cc2c(cc1O)CCC2)Cc1c(F)cccc1F ZINC000725781461 1047314733 /nfs/dbraw/zinc/31/47/33/1047314733.db2.gz NWLLMWOVEPKWPW-UHFFFAOYSA-N 0 0 317.379 4.181 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000898326227 1047337213 /nfs/dbraw/zinc/33/72/13/1047337213.db2.gz UAQXMCFNKOYRSV-OAHLLOKOSA-N 0 0 323.223 4.335 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H](C)CCOC)c1ccc(Cl)c(Cl)c1[O-] ZINC000840836295 1047341661 /nfs/dbraw/zinc/34/16/61/1047341661.db2.gz XSHZNUNGGVQNPV-GXFFZTMASA-N 0 0 320.260 4.412 20 10 DICDRN CC[C@H]([NH2+]C[C@@H](C)CCOC)c1ccc(Cl)c(Cl)c1[O-] ZINC000840836294 1047341951 /nfs/dbraw/zinc/34/19/51/1047341951.db2.gz XSHZNUNGGVQNPV-GWCFXTLKSA-N 0 0 320.260 4.412 20 10 DICDRN C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000840858706 1047345574 /nfs/dbraw/zinc/34/55/74/1047345574.db2.gz BNSIFBVTZFVGHD-VGMNWLOBSA-N 0 0 306.258 4.244 20 10 DICDRN C[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000840858703 1047345894 /nfs/dbraw/zinc/34/58/94/1047345894.db2.gz BNSIFBVTZFVGHD-HRDYMLBCSA-N 0 0 306.258 4.244 20 10 DICDRN Cc1cc(C)c([C@@H](C)Nc2cccc([C@H]3CCC(=O)N3)c2)c(O)c1 ZINC000840884406 1047353090 /nfs/dbraw/zinc/35/30/90/1047353090.db2.gz MCUIDWOJSPIURB-RHSMWYFYSA-N 0 0 324.424 4.133 20 10 DICDRN CCOc1ccc(N[C@@H](C)c2cc(OC)ccc2O)c(F)c1 ZINC000840895550 1047356109 /nfs/dbraw/zinc/35/61/09/1047356109.db2.gz ZUGDQXFFDMUWMY-NSHDSACASA-N 0 0 305.349 4.112 20 10 DICDRN Cc1cc(N(C)C)ccc1CNCc1cc(-c2ccccc2)on1 ZINC000840934255 1047360276 /nfs/dbraw/zinc/36/02/76/1047360276.db2.gz ZBLNKCQCTBQWHD-UHFFFAOYSA-N 0 0 321.424 4.006 20 10 DICDRN Cc1cc(N(C)C)ccc1CNc1ccc(NC(=O)C2CC2)cc1 ZINC000840921852 1047361141 /nfs/dbraw/zinc/36/11/41/1047361141.db2.gz CMSMWTUVWYKPMM-UHFFFAOYSA-N 0 0 323.440 4.022 20 10 DICDRN Cc1cc(N(C)C)ccc1CNc1ccc(-c2nnco2)cc1C ZINC000840927141 1047361919 /nfs/dbraw/zinc/36/19/19/1047361919.db2.gz VSQMHPSHKOKWQX-UHFFFAOYSA-N 0 0 322.412 4.032 20 10 DICDRN CC[C@H](C)n1ncc(NCc2ccc(N(C)C)cc2C)c1C ZINC000840942217 1047362913 /nfs/dbraw/zinc/36/29/13/1047362913.db2.gz VRPPDJYMTRIANH-AWEZNQCLSA-N 0 0 300.450 4.149 20 10 DICDRN CCCCOc1ccc(CNc2ccc(N)cc2)cc1OC ZINC000841040725 1047373772 /nfs/dbraw/zinc/37/37/72/1047373772.db2.gz YKAHGZQWTJZUCY-UHFFFAOYSA-N 0 0 300.402 4.068 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(C)(C)CC1 ZINC000726958033 1047394892 /nfs/dbraw/zinc/39/48/92/1047394892.db2.gz YLYIUNBGYOCPDP-UHFFFAOYSA-N 0 0 316.470 4.418 20 10 DICDRN CC(C)[C@H]1N(C(=O)Nc2ccc(N)cc2)CC12CCCCC2 ZINC000841297436 1047400153 /nfs/dbraw/zinc/40/01/53/1047400153.db2.gz DWERGHPJZDQURR-MRXNPFEDSA-N 0 0 301.434 4.091 20 10 DICDRN CC[C@H](NC(=O)Nc1ccc(N)cc1)C(C)(C)c1ccccc1 ZINC000841300209 1047400213 /nfs/dbraw/zinc/40/02/13/1047400213.db2.gz MYTFJCYCXFBDIQ-KRWDZBQOSA-N 0 0 311.429 4.147 20 10 DICDRN CC(C)[C@H]1c2ccccc2CCN1C(=O)Nc1ccc(N)cc1 ZINC000841298187 1047400404 /nfs/dbraw/zinc/40/04/04/1047400404.db2.gz NFIBYTDPGIUAPP-SFHVURJKSA-N 0 0 309.413 4.056 20 10 DICDRN Cc1ccc(C(C)(C)CN(C)C(=O)Nc2ccc(N)cc2)cc1 ZINC000841299938 1047400708 /nfs/dbraw/zinc/40/07/08/1047400708.db2.gz MHMLBASNZCEPSJ-UHFFFAOYSA-N 0 0 311.429 4.019 20 10 DICDRN C[C@@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000841300311 1047401556 /nfs/dbraw/zinc/40/15/56/1047401556.db2.gz UHYOEDPBAPRSGJ-HXUWFJFHSA-N 0 0 323.440 4.245 20 10 DICDRN C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccc(N)cc2)C1 ZINC000841299773 1047401708 /nfs/dbraw/zinc/40/17/08/1047401708.db2.gz JRJZBXDQEAWUAM-PXAZEXFGSA-N 0 0 313.376 4.023 20 10 DICDRN Nc1ccc(NC(=O)N2CCCC[C@H]2c2ccc(F)cc2)cc1 ZINC000841300934 1047401793 /nfs/dbraw/zinc/40/17/93/1047401793.db2.gz XHWLAEBSPDRNSL-KRWDZBQOSA-N 0 0 313.376 4.167 20 10 DICDRN Nc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)cc1 ZINC000841301242 1047401870 /nfs/dbraw/zinc/40/18/70/1047401870.db2.gz GXBKKXSRMVOYTP-ZWKOTPCHSA-N 0 0 309.413 4.117 20 10 DICDRN CC(C)c1ccc(CCCNC(=O)Nc2ccc(N)cc2)cc1 ZINC000841300022 1047402124 /nfs/dbraw/zinc/40/21/24/1047402124.db2.gz LORJJEJDONNBNF-UHFFFAOYSA-N 0 0 311.429 4.147 20 10 DICDRN Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(N)cc2)c1C ZINC000841299690 1047402131 /nfs/dbraw/zinc/40/21/31/1047402131.db2.gz IAOAHIBTLPTIPH-GOSISDBHSA-N 0 0 309.413 4.255 20 10 DICDRN CCCCN(C(=O)Nc1ccc(N)cc1)[C@H]1CCC[C@H](C)C1 ZINC000841300605 1047402145 /nfs/dbraw/zinc/40/21/45/1047402145.db2.gz XCXYOSBGBYZSDQ-YOEHRIQHSA-N 0 0 303.450 4.482 20 10 DICDRN CC(C)CN(Cc1ccccc1F)C(=O)Nc1ccc(N)cc1 ZINC000841301160 1047402237 /nfs/dbraw/zinc/40/22/37/1047402237.db2.gz CTFPXPPPNDXQDN-UHFFFAOYSA-N 0 0 315.392 4.098 20 10 DICDRN C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccc(N)cc2)C1 ZINC000841299777 1047402245 /nfs/dbraw/zinc/40/22/45/1047402245.db2.gz JRJZBXDQEAWUAM-SJCJKPOMSA-N 0 0 313.376 4.023 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)C1CCCC1 ZINC000749352427 1047412020 /nfs/dbraw/zinc/41/20/20/1047412020.db2.gz NSRBJXWKXONLET-INIZCTEOSA-N 0 0 316.489 4.316 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)CC(F)(F)F ZINC000749578021 1047428121 /nfs/dbraw/zinc/42/81/21/1047428121.db2.gz WRWUCLGKEMHBQP-UHFFFAOYSA-N 0 0 324.346 4.037 20 10 DICDRN CCCc1nc(COc2ccc(N3CCCC3)cc2)cs1 ZINC000749789740 1047436414 /nfs/dbraw/zinc/43/64/14/1047436414.db2.gz BXLUBSGFPZOOTG-UHFFFAOYSA-N 0 0 302.443 4.275 20 10 DICDRN CCN1C(=O)/C(=C/c2cc3cc(C)c(C)cc3o2)SC1=S ZINC000749809664 1047438032 /nfs/dbraw/zinc/43/80/32/1047438032.db2.gz GZMRFLVPDGCOFC-ZSOIEALJSA-N 0 0 317.435 4.271 20 10 DICDRN C/C(=C\C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)C(C)(C)C ZINC001142418307 1047443977 /nfs/dbraw/zinc/44/39/77/1047443977.db2.gz CNLJBXIDNDFKLS-STTHAQSSSA-N 0 0 316.489 4.101 20 10 DICDRN CCc1cnccc1[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841747856 1047448167 /nfs/dbraw/zinc/44/81/67/1047448167.db2.gz FFFZITQXIUBTCV-NWDGAFQWSA-N 0 0 304.821 4.415 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)c1c(C)nn(C)c1C ZINC000841748513 1047448443 /nfs/dbraw/zinc/44/84/43/1047448443.db2.gz ADNHHLTVTVVSJN-ZUZCIYMTSA-N 0 0 321.852 4.198 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCc2c1cccc2O)c1ccc(Cl)cc1O ZINC000841747999 1047448651 /nfs/dbraw/zinc/44/86/51/1047448651.db2.gz VHKVRHVEXOMMJN-MEBBXXQBSA-N 0 0 303.789 4.089 20 10 DICDRN C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccc(Cl)cc1[O-] ZINC000841749709 1047449659 /nfs/dbraw/zinc/44/96/59/1047449659.db2.gz HNTDTWSNMQMTNF-HYEYJGRESA-N 0 0 321.848 4.044 20 10 DICDRN C[C@H]([NH2+]CCC[C@@H]1CCCC[C@@H]1O)c1ccc(Cl)cc1[O-] ZINC000841751444 1047450352 /nfs/dbraw/zinc/45/03/52/1047450352.db2.gz NBILQRNNOMJHEQ-XEZPLFJOSA-N 0 0 311.853 4.028 20 10 DICDRN Cc1csc(CCCC[NH2+][C@H](C)c2ccc(Cl)cc2[O-])n1 ZINC000841747804 1047450407 /nfs/dbraw/zinc/45/04/07/1047450407.db2.gz UESPPDJSHYAJRG-GFCCVEGCSA-N 0 0 324.877 4.484 20 10 DICDRN C[C@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)c1ccc(Cl)cc1[O-] ZINC000841758609 1047453491 /nfs/dbraw/zinc/45/34/91/1047453491.db2.gz TYIHXODNJFMWNA-QWHCGFSZSA-N 0 0 309.837 4.046 20 10 DICDRN C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841757995 1047453871 /nfs/dbraw/zinc/45/38/71/1047453871.db2.gz JLIXSOIQRAIFGV-PBFPGSCMSA-N 0 0 319.832 4.208 20 10 DICDRN Cc1nc(C)c(CC[NH2+][C@H](C)c2ccc(Cl)cc2[O-])s1 ZINC000841762230 1047455495 /nfs/dbraw/zinc/45/54/95/1047455495.db2.gz IDJKISBLXYVOHO-SECBINFHSA-N 0 0 310.850 4.012 20 10 DICDRN Cc1nc(CC[NH2+][C@H](C)c2ccc(Cl)cc2[O-])sc1C ZINC000841761155 1047455709 /nfs/dbraw/zinc/45/57/09/1047455709.db2.gz WSLSILRCLDVQCB-SNVBAGLBSA-N 0 0 310.850 4.012 20 10 DICDRN CCC[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)C(C)C ZINC001142840468 1047502137 /nfs/dbraw/zinc/50/21/37/1047502137.db2.gz CTIDOFLDAIJPSS-IBGZPJMESA-N 0 0 316.489 4.365 20 10 DICDRN C[C@@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000842900134 1047511656 /nfs/dbraw/zinc/51/16/56/1047511656.db2.gz HJAZDEQKDBAMAL-AXAPSJFSSA-N 0 0 303.352 4.125 20 10 DICDRN COc1ccccc1C1([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000842902828 1047512322 /nfs/dbraw/zinc/51/23/22/1047512322.db2.gz ODSBBDYCTYUNDH-NSHDSACASA-N 0 0 319.351 4.019 20 10 DICDRN C[C@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000842900135 1047512518 /nfs/dbraw/zinc/51/25/18/1047512518.db2.gz HJAZDEQKDBAMAL-NORZTCDRSA-N 0 0 303.352 4.125 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCS[C@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000842928681 1047513361 /nfs/dbraw/zinc/51/33/61/1047513361.db2.gz LCOJZCGODVTTPP-YVZVNANGSA-N 0 0 306.258 4.244 20 10 DICDRN NC(=O)N=Nc1ccc(C(=O)Nc2cccc(C(F)F)c2)cc1 ZINC001143047774 1047527661 /nfs/dbraw/zinc/52/76/61/1047527661.db2.gz WLGDTLQYIRWTFZ-UHFFFAOYSA-N 0 0 318.283 4.039 20 10 DICDRN CC(C)[C@H](c1nc(Cc2ccc(N)cc2)no1)c1ccccc1 ZINC000843158658 1047529810 /nfs/dbraw/zinc/52/98/10/1047529810.db2.gz FYYPZUFAIVGDRS-SFHVURJKSA-N 0 0 307.397 4.031 20 10 DICDRN CC[C@H](Oc1ccccc1C)c1nc(Cc2ccc(N)cc2)no1 ZINC000843160680 1047530011 /nfs/dbraw/zinc/53/00/11/1047530011.db2.gz ZQYPDTNKJIWYCM-INIZCTEOSA-N 0 0 323.396 4.081 20 10 DICDRN CC(C)(C)c1cccc(CN2Cc3cnc(Cl)cc3C2)c1O ZINC001143117149 1047533504 /nfs/dbraw/zinc/53/35/04/1047533504.db2.gz VJDBIZHGONEVRN-UHFFFAOYSA-N 0 0 316.832 4.254 20 10 DICDRN CN(Cc1ccccc1O)C(=O)CCCc1ccc(C2CC2)cc1 ZINC001149871926 1047571460 /nfs/dbraw/zinc/57/14/60/1047571460.db2.gz MEMBEXNLNZQGCD-UHFFFAOYSA-N 0 0 323.436 4.251 20 10 DICDRN CC[C@@H](CC(=O)NCc1c(O)ccc2c1CCCC2)C(C)(C)C ZINC001150387789 1047576894 /nfs/dbraw/zinc/57/68/94/1047576894.db2.gz SYKOLWOTURLJKH-HNNXBMFYSA-N 0 0 317.473 4.350 20 10 DICDRN Cc1cc(C(=O)N[C@]23C[C@H]2CCCC3)c(C)n1-c1ccccc1C ZINC001151544073 1047597527 /nfs/dbraw/zinc/59/75/27/1047597527.db2.gz GCDZZZWPPVUPHI-DYESRHJHSA-N 0 0 322.452 4.465 20 10 DICDRN CC(C)c1ccc2occ(C(=O)N3Cc4cccc(O)c4C3)c2c1 ZINC001152574520 1047613250 /nfs/dbraw/zinc/61/32/50/1047613250.db2.gz WWGBODILCCSBHG-UHFFFAOYSA-N 0 0 321.376 4.418 20 10 DICDRN Cc1cc(C(=O)N2CC=C(C)CC2)c(C)n1-c1ccccc1C ZINC001153512085 1047627183 /nfs/dbraw/zinc/62/71/83/1047627183.db2.gz PIRVCPKJNSNDKF-UHFFFAOYSA-N 0 0 308.425 4.195 20 10 DICDRN CCN(Cc1ccccc1O)c1cc2ccc(Cl)nc2cn1 ZINC001154888448 1047660785 /nfs/dbraw/zinc/66/07/85/1047660785.db2.gz CRHRRAOVAUHMFP-UHFFFAOYSA-N 0 0 313.788 4.015 20 10 DICDRN CCN(Cc1ccccc1O)c1cc(Cl)nc2[nH]cc(C)c21 ZINC001154888450 1047660890 /nfs/dbraw/zinc/66/08/90/1047660890.db2.gz CTFAJWFYHCFSMR-UHFFFAOYSA-N 0 0 315.804 4.257 20 10 DICDRN 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CCC[N@H+](Cc1cc(F)ccc1O)[C@@H]1CCCc2cccnc21 ZINC000775994198 1048079812 /nfs/dbraw/zinc/07/98/12/1048079812.db2.gz IRVKEMMKBLRDMN-QGZVFWFLSA-N 0 0 314.404 4.216 20 10 DICDRN COc1cc(Cl)cc(CNc2cccc3cc[nH]c32)c1O ZINC000775994187 1048081460 /nfs/dbraw/zinc/08/14/60/1048081460.db2.gz IQGVPIPIWMPEHW-UHFFFAOYSA-N 0 0 302.761 4.148 20 10 DICDRN Cc1ccc2c(c1)nc(Cl)nc2NCc1cccc(C)c1O ZINC001160769709 1048081860 /nfs/dbraw/zinc/08/18/60/1048081860.db2.gz QLQWSVXRRWIBIX-UHFFFAOYSA-N 0 0 313.788 4.218 20 10 DICDRN Cc1cccc(CNc2ncccc2OCc2ccccc2)c1O ZINC001160770129 1048082349 /nfs/dbraw/zinc/08/23/49/1048082349.db2.gz RAJYHAYUTZHYFL-UHFFFAOYSA-N 0 0 320.392 4.287 20 10 DICDRN CSc1cc(Cl)ncc1NCc1c(C)cc(C)cc1O ZINC001160810914 1048085151 /nfs/dbraw/zinc/08/51/51/1048085151.db2.gz WCFPKBZVUFXGLI-UHFFFAOYSA-N 0 0 308.834 4.391 20 10 DICDRN Cc1cc(C)c(CNc2ccnc(-c3ccccc3)n2)c(O)c1 ZINC001160808126 1048085303 /nfs/dbraw/zinc/08/53/03/1048085303.db2.gz LAFKGANZJQIUBF-UHFFFAOYSA-N 0 0 305.381 4.078 20 10 DICDRN Cc1cc(C)c(CNc2cc3nccc(Cl)c3cn2)c(O)c1 ZINC001160810653 1048085551 /nfs/dbraw/zinc/08/55/51/1048085551.db2.gz UUYCTMVJLJJNCB-UHFFFAOYSA-N 0 0 313.788 4.218 20 10 DICDRN Cc1cc(C)c(CNc2ccc3cc(Cl)cnc3n2)c(O)c1 ZINC001160810232 1048086014 /nfs/dbraw/zinc/08/60/14/1048086014.db2.gz NSPXBGGPGUXKGF-UHFFFAOYSA-N 0 0 313.788 4.218 20 10 DICDRN CSc1cc(Cl)cnc1NCc1c(C)cc(C)cc1O ZINC001160811746 1048087402 /nfs/dbraw/zinc/08/74/02/1048087402.db2.gz VNSXMSDANQMCBC-UHFFFAOYSA-N 0 0 308.834 4.391 20 10 DICDRN C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000776012417 1048088042 /nfs/dbraw/zinc/08/80/42/1048088042.db2.gz GPRJIEABSWTADS-ONGXEEELSA-N 0 0 307.743 4.208 20 10 DICDRN CC(C)(CC[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC001199707940 1048091577 /nfs/dbraw/zinc/09/15/77/1048091577.db2.gz COJAQKOBXMVNFX-UHFFFAOYSA-N 0 0 305.368 4.128 20 10 DICDRN CCCOc1cccc(C[NH2+]Cc2cccc(Cl)c2[O-])c1 ZINC000776020874 1048094754 /nfs/dbraw/zinc/09/47/54/1048094754.db2.gz AJIBOCWMYDZONO-UHFFFAOYSA-N 0 0 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4.470 20 10 DICDRN CC[C@H]([NH2+]C[C@@H](C)SC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775522883 1049082976 /nfs/dbraw/zinc/08/29/76/1049082976.db2.gz AMZXTGASPARALV-KCJUWKMLSA-N 0 0 308.274 4.491 20 10 DICDRN CC[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775523913 1049086881 /nfs/dbraw/zinc/08/68/81/1049086881.db2.gz AYJTVOHRKTVOQI-KWBADKCTSA-N 0 0 318.244 4.307 20 10 DICDRN CC[C@@H]([NH2+]CCC[C@@H](O)CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775525832 1049092248 /nfs/dbraw/zinc/09/22/48/1049092248.db2.gz GATPYYIAKXFABR-GXFFZTMASA-N 0 0 320.260 4.291 20 10 DICDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1ccc2sccc2c1 ZINC001178855226 1049100837 /nfs/dbraw/zinc/10/08/37/1049100837.db2.gz HADVIJRLARJZAC-UHFFFAOYSA-N 0 0 305.349 4.175 20 10 DICDRN CN(C)c1ccc(CN2CC(F)(F)C[C@H]2CF)c2ccccc21 ZINC001204233146 1049116039 /nfs/dbraw/zinc/11/60/39/1049116039.db2.gz OJEGAVLLNODEBX-AWEZNQCLSA-N 0 0 322.374 4.085 20 10 DICDRN CN(C)c1ccc(CN2CCC(F)(F)[C@H](F)C2)c2ccccc21 ZINC001204233348 1049116549 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Cc1ccc(C[C@H](C)[N@H+](C)Cc2cccc(Cl)c2[O-])cc1 ZINC001204309051 1049138930 /nfs/dbraw/zinc/13/89/30/1049138930.db2.gz XLIPKQWLMUTUFW-AWEZNQCLSA-N 0 0 303.833 4.417 20 10 DICDRN CC[C@H]([NH2+]CC[C@H]1CCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775552197 1049144918 /nfs/dbraw/zinc/14/49/18/1049144918.db2.gz SXWOZDJIOBJUJA-GWCFXTLKSA-N 0 0 318.244 4.166 20 10 DICDRN CC(C)Cc1ccccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000857433741 1049146730 /nfs/dbraw/zinc/14/67/30/1049146730.db2.gz OYYUGNHXHPFHJH-UHFFFAOYSA-N 0 0 324.468 4.223 20 10 DICDRN COc1ccc(-n2c(C)cc(-c3nc([C@H]4C[C@H]4C)no3)c2C)cc1 ZINC000904821438 1049154598 /nfs/dbraw/zinc/15/45/98/1049154598.db2.gz VOLYXHZKBUQJMO-BZNIZROVSA-N 0 0 323.396 4.276 20 10 DICDRN Cc1cc(Cc2nc([C@H]3C[C@H]3C)no2)c(C)n1-c1ccccc1 ZINC000904823752 1049156265 /nfs/dbraw/zinc/15/62/65/1049156265.db2.gz VJVPSFLCJILJOM-PXAZEXFGSA-N 0 0 307.397 4.191 20 10 DICDRN CN(C)c1ccc(/C=C/CN[C@@H](CF)c2ccc(F)cc2)cc1 ZINC001179402312 1049159414 /nfs/dbraw/zinc/15/94/14/1049159414.db2.gz RAGRULNDEGYRQR-RTLBZRNLSA-N 0 0 316.395 4.205 20 10 DICDRN COc1cc(C)c(N[C@@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000775565815 1049169304 /nfs/dbraw/zinc/16/93/04/1049169304.db2.gz PTISFGAKXBXSKD-ZDUSSCGKSA-N 0 0 302.393 4.382 20 10 DICDRN C[C@H]([NH2+]C1(Cc2ccccc2)CC1)c1cc(F)cc(F)c1[O-] ZINC000775565542 1049169358 /nfs/dbraw/zinc/16/93/58/1049169358.db2.gz MADMLJGZPNDXDH-LBPRGKRZSA-N 0 0 303.352 4.096 20 10 DICDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC001204534693 1049185407 /nfs/dbraw/zinc/18/54/07/1049185407.db2.gz VMJPITSSXVOQJC-OAHLLOKOSA-N 0 0 317.379 4.440 20 10 DICDRN CC(C)=CCC/C(C)=C/CNC(=O)c1ccc(O)c(O)c1Cl ZINC001193236570 1049190646 /nfs/dbraw/zinc/19/06/46/1049190646.db2.gz IDEBHEJGFFLLNN-FMIVXFBMSA-N 0 0 323.820 4.174 20 10 DICDRN Cc1cc(F)c(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])c(F)c1 ZINC001179662159 1049193589 /nfs/dbraw/zinc/19/35/89/1049193589.db2.gz FSNOGPGHPGKWKT-UHFFFAOYSA-N 0 0 315.722 4.061 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCc2ccccc21 ZINC000115711673 1049206793 /nfs/dbraw/zinc/20/67/93/1049206793.db2.gz DGYQBZYRIYCDJJ-KRWDZBQOSA-N 0 0 323.436 4.251 20 10 DICDRN CN(C[C@H]1C[C@]12CCOC2)c1ccc(OCc2ccccc2)cc1 ZINC001193472011 1049214127 /nfs/dbraw/zinc/21/41/27/1049214127.db2.gz BEGFUUXRXGJFSP-NQIIRXRSSA-N 0 0 323.436 4.128 20 10 DICDRN Cc1cc(O)c(CN2CC[C@H]2c2cccc(F)c2)cc1Cl ZINC001179854156 1049216990 /nfs/dbraw/zinc/21/69/90/1049216990.db2.gz BEQIJSRQBDEWKJ-INIZCTEOSA-N 0 0 305.780 4.440 20 10 DICDRN Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC001204681929 1049223018 /nfs/dbraw/zinc/22/30/18/1049223018.db2.gz NHVUFGRWQLLMBI-KGLIPLIRSA-N 0 0 317.379 4.357 20 10 DICDRN Oc1cccc(Br)c1CNc1cc(C2CC2)ccn1 ZINC000858165987 1049224203 /nfs/dbraw/zinc/22/42/03/1049224203.db2.gz VNNAKJYBXVNMOH-UHFFFAOYSA-N 0 0 319.202 4.039 20 10 DICDRN Cc1ccc(O)c(CNC(=O)N[C@@H](c2ccccc2)C2CCC2)c1 ZINC000858190993 1049226038 /nfs/dbraw/zinc/22/60/38/1049226038.db2.gz LKSVAYOPJGEGQZ-IBGZPJMESA-N 0 0 324.424 4.041 20 10 DICDRN Cc1cc(Br)c([O-])c(C[NH+]2C3CCCC2CCC3)c1 ZINC001179879237 1049226082 /nfs/dbraw/zinc/22/60/82/1049226082.db2.gz YWMDNXRXOWVMBO-UHFFFAOYSA-N 0 0 324.262 4.370 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)OC1CCCCC1 ZINC001193627595 1049233174 /nfs/dbraw/zinc/23/31/74/1049233174.db2.gz WJTWLLCZAUTWOX-UHFFFAOYSA-N 0 0 304.434 4.044 20 10 DICDRN CCCC[N@H+](Cc1ccccc1F)Cc1cccc(F)c1[O-] ZINC001180046964 1049254228 /nfs/dbraw/zinc/25/42/28/1049254228.db2.gz DHJOCHZVMJLDLF-UHFFFAOYSA-N 0 0 305.368 4.473 20 10 DICDRN Cn1ccc2ncc(-c3ccc(OCc4ccccc4)nc3)cc21 ZINC001204758032 1049254513 /nfs/dbraw/zinc/25/45/13/1049254513.db2.gz KPIXPKCBQPXSFR-UHFFFAOYSA-N 0 0 315.376 4.214 20 10 DICDRN C[C@@H](Cc1cccs1)[N@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC001180058786 1049269266 /nfs/dbraw/zinc/26/92/66/1049269266.db2.gz UBPSMQCVEUEGQL-JTQLQIEISA-N 0 0 313.825 4.309 20 10 DICDRN Cc1cc(C[NH2+][C@@H](C)c2ccc(F)cn2)c(C)n1-c1ccccc1 ZINC000858544005 1049271185 /nfs/dbraw/zinc/27/11/85/1049271185.db2.gz XSFWWDXPIOMCEQ-HNNXBMFYSA-N 0 0 323.415 4.479 20 10 DICDRN COCCOCc1ccc(N[C@@H](C)c2ccc(C)cc2O)cc1 ZINC000858550699 1049272154 /nfs/dbraw/zinc/27/21/54/1049272154.db2.gz RSWSTDNBDOCHRA-HNNXBMFYSA-N 0 0 315.413 4.037 20 10 DICDRN C[C@H](C[N@H+](C)Cc1c([O-])ccc(Cl)c1F)c1ccccc1 ZINC001180072266 1049274830 /nfs/dbraw/zinc/27/48/30/1049274830.db2.gz PBTWMBDIZHBQDV-GFCCVEGCSA-N 0 0 307.796 4.420 20 10 DICDRN Cc1cccc([C@@H](C)NC(=O)/C=C/c2ccc(N(C)C)cc2)c1C ZINC001180130358 1049281313 /nfs/dbraw/zinc/28/13/13/1049281313.db2.gz KDRWCUIMDBTOGR-GWKQRERASA-N 0 0 322.452 4.260 20 10 DICDRN CCCOc1ccc(N[C@H]2CCc3cccc(O)c32)cc1OC ZINC000858603417 1049284190 /nfs/dbraw/zinc/28/41/90/1049284190.db2.gz BRCNWDWFBPGSMQ-HNNXBMFYSA-N 0 0 313.397 4.289 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCC12CC2 ZINC000858663399 1049285790 /nfs/dbraw/zinc/28/57/90/1049285790.db2.gz UCLOZPVCULBVFI-GOSISDBHSA-N 0 0 314.473 4.070 20 10 DICDRN COc1ccc(N(CCC(C)C)Cc2cc(OC)ccn2)cc1 ZINC001194074281 1049315374 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COc1ccc2c(c1)CCCN2C[C@@H]1CCOc2ccccc21 ZINC001180716505 1049398905 /nfs/dbraw/zinc/39/89/05/1049398905.db2.gz SGKAVYMERBFTKK-INIZCTEOSA-N 0 0 309.409 4.014 20 10 DICDRN COc1cc(N(C)C[C@H]2CCCC(C)(C)C2)cc(OC)c1OC ZINC001180760023 1049403080 /nfs/dbraw/zinc/40/30/80/1049403080.db2.gz WJEBMKBIFIKRQT-AWEZNQCLSA-N 0 0 321.461 4.365 20 10 DICDRN C[C@@H](NC(=O)CC1CCC(F)(F)CC1)c1ccc(N(C)C)cc1 ZINC000860950149 1049423639 /nfs/dbraw/zinc/42/36/39/1049423639.db2.gz HILBTBOUZBIVPN-CYBMUJFWSA-N 0 0 324.415 4.145 20 10 DICDRN Cc1ccccc1C1CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC001205306455 1049432542 /nfs/dbraw/zinc/43/25/42/1049432542.db2.gz RNECRIRHDYFNMW-UHFFFAOYSA-N 0 0 317.379 4.358 20 10 DICDRN COc1cc(Cl)ccc1NCc1ccc(N(C)C)cc1C ZINC001181103194 1049438609 /nfs/dbraw/zinc/43/86/09/1049438609.db2.gz YHZJDBNQOBDKGT-UHFFFAOYSA-N 0 0 304.821 4.335 20 10 DICDRN CCOc1cc(F)cc(CN(C)c2ccc(OC)c(F)c2)c1 ZINC001205359820 1049448893 /nfs/dbraw/zinc/44/88/93/1049448893.db2.gz HTXJDEZKVUTVDV-UHFFFAOYSA-N 0 0 307.340 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4.365 20 10 DICDRN CO[C@@H](CC(C)C)CN(C)c1ccc(-c2nccs2)cc1 ZINC001194993928 1049459150 /nfs/dbraw/zinc/45/91/50/1049459150.db2.gz QQWTWVLYKNWKQT-INIZCTEOSA-N 0 0 304.459 4.307 20 10 DICDRN CC(C)Oc1ccc(N(C)C[C@H]2C[C@]2(C)Br)cc1 ZINC001205406037 1049462485 /nfs/dbraw/zinc/46/24/85/1049462485.db2.gz PPIVAEWYDHJWCB-DOMZBBRYSA-N 0 0 312.251 4.084 20 10 DICDRN CN(C[C@@H]1CCSC1)c1ccc(OCc2ccccc2)cc1 ZINC001205425587 1049467130 /nfs/dbraw/zinc/46/71/30/1049467130.db2.gz AKXQFVSWOHLCOP-KRWDZBQOSA-N 0 0 313.466 4.455 20 10 DICDRN CCc1nc(CN(C)Cc2ccc(N(CC)CC)cc2)cs1 ZINC000862023740 1049470097 /nfs/dbraw/zinc/47/00/97/1049470097.db2.gz HJBVTZSXHPJVPA-UHFFFAOYSA-N 0 0 317.502 4.184 20 10 DICDRN Oc1ccccc1CN(Cc1ccco1)Cc1cnc(C2CC2)o1 ZINC000862210889 1049479585 /nfs/dbraw/zinc/47/95/85/1049479585.db2.gz ZMWMQHKAALDNTE-UHFFFAOYSA-N 0 0 324.380 4.053 20 10 DICDRN COc1cc2c(c(OC)c1)N(Cc1ccc(C)cc1C)CCC2 ZINC001195178966 1049493285 /nfs/dbraw/zinc/49/32/85/1049493285.db2.gz LPPQVPWIGBUQQG-UHFFFAOYSA-N 0 0 311.425 4.273 20 10 DICDRN CCc1ccc(NCc2ccc(OC)c(OC)c2O)cc1Cl ZINC001181610509 1049495187 /nfs/dbraw/zinc/49/51/87/1049495187.db2.gz HMBVMYHRPHAUDU-UHFFFAOYSA-N 0 0 321.804 4.237 20 10 DICDRN CC(C)c1ccc(O)c(C[N@H+]2CCCCC[C@@H]2C[C@H](C)O)c1 ZINC001181687010 1049499130 /nfs/dbraw/zinc/49/91/30/1049499130.db2.gz MGZPTMOWBKAFLT-MAUKXSAKSA-N 0 0 305.462 4.031 20 10 DICDRN Cc1cc(CNCc2cnc(C3CC3)o2)c(C)n1-c1ccccc1 ZINC000862527746 1049499640 /nfs/dbraw/zinc/49/96/40/1049499640.db2.gz FSIOGWYMKOMOTG-UHFFFAOYSA-N 0 0 321.424 4.249 20 10 DICDRN C[C@@H](CCCc1ccccc1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000775646821 1049501402 /nfs/dbraw/zinc/50/14/02/1049501402.db2.gz OGKRDGKIJLHGQN-KRWDZBQOSA-N 0 0 324.468 4.028 20 10 DICDRN COc1ccc(N(Cc2c(C)nn(C)c2Cl)CC(C)C)cc1 ZINC001195257462 1049501414 /nfs/dbraw/zinc/50/14/14/1049501414.db2.gz GQMVZTXKKHBWIQ-UHFFFAOYSA-N 0 0 321.852 4.053 20 10 DICDRN C[C@H](NC(=O)c1ccccc1NN=C1C=CC(=O)C=C1)C1CC1 ZINC001195274093 1049506891 /nfs/dbraw/zinc/50/68/91/1049506891.db2.gz AHGDCFHDNRTVBY-ZKNCDPSRSA-N 0 0 309.369 4.336 20 10 DICDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2CCCc1ccncc1 ZINC001195325296 1049510959 /nfs/dbraw/zinc/51/09/59/1049510959.db2.gz YIFFVFMPOQGFDZ-LJQANCHMSA-N 0 0 324.468 4.358 20 10 DICDRN Cc1ccc(C[C@@H](C)[N@H+](C)Cc2cc(F)c(F)cc2[O-])cc1 ZINC001204307588 1049521598 /nfs/dbraw/zinc/52/15/98/1049521598.db2.gz OQDMGMHOPGVNEM-CYBMUJFWSA-N 0 0 305.368 4.042 20 10 DICDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1CC12CC2 ZINC000817556940 1049522594 /nfs/dbraw/zinc/52/25/94/1049522594.db2.gz PGDWQWZEKANNMG-CRAIPNDOSA-N 0 0 321.420 4.282 20 10 DICDRN CC(C)([NH2+]Cc1cc(F)c(F)cc1[O-])c1ccc(Cl)cc1 ZINC001205780460 1049562590 /nfs/dbraw/zinc/56/25/90/1049562590.db2.gz ICEXNJVHUHUMHG-UHFFFAOYSA-N 0 0 311.759 4.349 20 10 DICDRN FC(F)(F)c1ncccc1COc1ccc(N2CCCC2)cc1 ZINC000863458909 1049566952 /nfs/dbraw/zinc/56/69/52/1049566952.db2.gz HVVCEIXKMXPBHH-UHFFFAOYSA-N 0 0 322.330 4.280 20 10 DICDRN COc1cc(NCc2ccc(Cl)cc2O)cc2cccnc21 ZINC001182063697 1049568935 /nfs/dbraw/zinc/56/89/35/1049568935.db2.gz XYLGYLAUAGIECE-UHFFFAOYSA-N 0 0 314.772 4.215 20 10 DICDRN CCc1ccc([C@H]2CC[N@H+](Cc3cc(F)cc(F)c3[O-])C2)cc1 ZINC001182072410 1049569876 /nfs/dbraw/zinc/56/98/76/1049569876.db2.gz PTCWDVVHWDTTID-HNNXBMFYSA-N 0 0 317.379 4.222 20 10 DICDRN C[C@H]([NH2+]CC1(O)CCCCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774155593 1049613292 /nfs/dbraw/zinc/61/32/92/1049613292.db2.gz IHWKNSBHXQCILJ-JTQLQIEISA-N 0 0 318.244 4.045 20 10 DICDRN C[C@H]([NH2+]CCOC1CCCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774142022 1049618621 /nfs/dbraw/zinc/61/86/21/1049618621.db2.gz FVFZHEJGAOVKNR-JTQLQIEISA-N 0 0 318.244 4.309 20 10 DICDRN CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774185996 1049618723 /nfs/dbraw/zinc/61/87/23/1049618723.db2.gz WQXKAKPOIMXVMC-AMJWSMQMSA-N 0 0 320.260 4.147 20 10 DICDRN CS(C)(=O)=Nc1cccc(NCc2c(O)cccc2Cl)c1 ZINC000864015141 1049621769 /nfs/dbraw/zinc/62/17/69/1049621769.db2.gz GKHVGGDIFCVVJG-UHFFFAOYSA-N 0 0 324.833 4.017 20 10 DICDRN CCN(CC)c1ccc(CNc2cc(F)cc(N(C)C)c2)cc1 ZINC000864016243 1049622628 /nfs/dbraw/zinc/62/26/28/1049622628.db2.gz PBQHVVIPDYQBSP-UHFFFAOYSA-N 0 0 315.436 4.350 20 10 DICDRN CO[C@H](C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-])C(C)C ZINC000774202776 1049623921 /nfs/dbraw/zinc/62/39/21/1049623921.db2.gz ODJWZEHVFKPLGB-YMTOWFKASA-N 0 0 306.233 4.021 20 10 DICDRN COc1ccc(N(C)Cc2ccc(Cl)cc2[N+](=O)[O-])cc1F ZINC000864018403 1049624827 /nfs/dbraw/zinc/62/48/27/1049624827.db2.gz FSIKMMYTZDWLNP-UHFFFAOYSA-N 0 0 324.739 4.032 20 10 DICDRN C[C@@H](Nc1ccc([C@H](O)C(F)(F)F)cc1)c1ccccc1O ZINC000864024393 1049627834 /nfs/dbraw/zinc/62/78/34/1049627834.db2.gz ZSKQVMLYKPZFEJ-BMIGLBTASA-N 0 0 311.303 4.161 20 10 DICDRN CC[C@@H](Nc1cc(F)cc(N(C)C)c1)c1ccc(F)cc1O ZINC000864025693 1049628937 /nfs/dbraw/zinc/62/89/37/1049628937.db2.gz STEMSVWKHCKKJC-MRXNPFEDSA-N 0 0 306.356 4.300 20 10 DICDRN Cc1ccccc1NC(=S)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774248735 1049635366 /nfs/dbraw/zinc/63/53/66/1049635366.db2.gz HOCNFWDKMAUKAA-AWEZNQCLSA-N 0 0 313.470 4.109 20 10 DICDRN COc1cccc(CNc2ccc(Cl)cc2SC)c1O ZINC000864041639 1049635645 /nfs/dbraw/zinc/63/56/45/1049635645.db2.gz RXPNYQMGMUAXHL-UHFFFAOYSA-N 0 0 309.818 4.388 20 10 DICDRN CCOc1ccc(O)c(CNc2ccccc2CCSC)c1 ZINC000864042914 1049635814 /nfs/dbraw/zinc/63/58/14/1049635814.db2.gz GCAQDIBJNFEFMI-UHFFFAOYSA-N 0 0 317.454 4.309 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001206047754 1049639699 /nfs/dbraw/zinc/63/96/99/1049639699.db2.gz LPBGANFIWIHBEK-AWEZNQCLSA-N 0 0 301.817 4.255 20 10 DICDRN C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774372052 1049652592 /nfs/dbraw/zinc/65/25/92/1049652592.db2.gz URBXXWCVCLUROK-VHSXEESVSA-N 0 0 318.244 4.307 20 10 DICDRN c1ccc2c(c1)cccc2NCc1ccc(N2CCOCC2)cc1 ZINC000120101325 1049671366 /nfs/dbraw/zinc/67/13/66/1049671366.db2.gz QLMTWFZAOMPEAE-UHFFFAOYSA-N 0 0 318.420 4.289 20 10 DICDRN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ncc(C(C)(C)C)o1 ZINC000774485863 1049674179 /nfs/dbraw/zinc/67/41/79/1049674179.db2.gz UZORUWIPGGKJOA-UONOGXRCSA-N 0 0 315.461 4.450 20 10 DICDRN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ncc(C(C)(C)C)o1 ZINC000774485826 1049675874 /nfs/dbraw/zinc/67/58/74/1049675874.db2.gz UZORUWIPGGKJOA-KBPBESRZSA-N 0 0 315.461 4.450 20 10 DICDRN CCc1c(N[C@H](C)c2ccc(N(C)C)cc2)cnn1CC(C)C ZINC000777273829 1049679032 /nfs/dbraw/zinc/67/90/32/1049679032.db2.gz FHSPVWOTKVMRMW-OAHLLOKOSA-N 0 0 314.477 4.341 20 10 DICDRN Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775731684 1049679389 /nfs/dbraw/zinc/67/93/89/1049679389.db2.gz JVQQWQOFZIPKQY-INIZCTEOSA-N 0 0 322.811 4.250 20 10 DICDRN CC(=O)c1cc(F)cc(CN2CC(C)(C)c3ccccc32)c1O ZINC001196675110 1049680896 /nfs/dbraw/zinc/68/08/96/1049680896.db2.gz KYGUFYQNYFDFAQ-UHFFFAOYSA-N 0 0 313.372 4.032 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1(c2ccccc2F)CCC1 ZINC001182564495 1049686136 /nfs/dbraw/zinc/68/61/36/1049686136.db2.gz FMUFVPOFYMWXOI-UHFFFAOYSA-N 0 0 323.770 4.493 20 10 DICDRN 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CCOc1ccc(N(C)Cc2csc(C(C)(C)C)n2)cc1 ZINC000739926884 1050595546 /nfs/dbraw/zinc/59/55/46/1050595546.db2.gz MILVOVLBOIXXRA-UHFFFAOYSA-N 0 0 304.459 4.476 20 10 DICDRN Cc1cc(C)n(CC(=O)c2cc(C)n(-c3ccccc3C)c2C)n1 ZINC000740872614 1050634718 /nfs/dbraw/zinc/63/47/18/1050634718.db2.gz XJPHUFISHYRHLP-UHFFFAOYSA-N 0 0 321.424 4.099 20 10 DICDRN Cc1ccc(C(F)(F)F)cc1NC(=O)NCc1ccccc1O ZINC000746731456 1050656051 /nfs/dbraw/zinc/65/60/51/1050656051.db2.gz PRXAVEUBEMTAFL-UHFFFAOYSA-N 0 0 324.302 4.041 20 10 DICDRN Cn1ccc2c1ccnc2-c1ccc(C(F)(F)F)nc1Cl ZINC001243034363 1050666533 /nfs/dbraw/zinc/66/65/33/1050666533.db2.gz KRQAHMCGBWTCQT-UHFFFAOYSA-N 0 0 311.694 4.308 20 10 DICDRN COc1cccc([C@H](C)Nc2ccccc2OCC(F)F)c1O ZINC000846158965 1050674567 /nfs/dbraw/zinc/67/45/67/1050674567.db2.gz BTUZYVCQCODQPJ-NSHDSACASA-N 0 0 323.339 4.218 20 10 DICDRN COc1cccc([C@@H](C)Nc2cccc(OC(F)F)c2)c1O ZINC000846159394 1050676705 /nfs/dbraw/zinc/67/67/05/1050676705.db2.gz OABVZLORYJGCBD-SNVBAGLBSA-N 0 0 309.312 4.175 20 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301.148 4.154 20 10 DICDRN CCN(Cc1ccccc1)c1ccc(CNc2cccnn2)cc1 ZINC000788448766 1050680944 /nfs/dbraw/zinc/68/09/44/1050680944.db2.gz OJRUSUKHIRFNMK-UHFFFAOYSA-N 0 0 318.424 4.115 20 10 DICDRN CCN(Cc1ccccc1)c1ccc(CNc2cnccn2)cc1 ZINC000788450326 1050681106 /nfs/dbraw/zinc/68/11/06/1050681106.db2.gz VVMIFHFLRVFTHZ-UHFFFAOYSA-N 0 0 318.424 4.115 20 10 DICDRN C[C@H]([NH2+]CC[C@@]1(C)C[C@@]1(F)Cl)c1cc(F)cc(F)c1[O-] ZINC000846184567 1050688145 /nfs/dbraw/zinc/68/81/45/1050688145.db2.gz LLOSBSGSFOPZQO-YZMDESFKSA-N 0 0 307.743 4.026 20 10 DICDRN CC[C@H]([NH2+]CC[C@@]1(C)C[C@]1(F)Cl)c1ccc(F)cc1[O-] ZINC000846186595 1050690409 /nfs/dbraw/zinc/69/04/09/1050690409.db2.gz YJFTZCMRIPYSHU-AEGPPILISA-N 0 0 303.780 4.277 20 10 DICDRN COc1cc(N[C@@H](C)c2ccccc2O)cc(Cl)c1OC ZINC000846194859 1050693021 /nfs/dbraw/zinc/69/30/21/1050693021.db2.gz LSOUXMOXAYRIHZ-JTQLQIEISA-N 0 0 307.777 4.236 20 10 DICDRN CC[C@@H](Nc1cc(COC)ccn1)c1cc(Cl)ccc1O ZINC000846213435 1050694675 /nfs/dbraw/zinc/69/46/75/1050694675.db2.gz SPXUTCAZNVZJRJ-CQSZACIVSA-N 0 0 306.793 4.150 20 10 DICDRN C[C@H]1CCC[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000741532409 1050697856 /nfs/dbraw/zinc/69/78/56/1050697856.db2.gz NZTNVVDSOVPQEK-DOTOQJQBSA-N 0 0 314.473 4.070 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCC[C@@H](C)C2)cc1 ZINC000741530159 1050698016 /nfs/dbraw/zinc/69/80/16/1050698016.db2.gz UXRQRTYYPXEEFH-AEFFLSMTSA-N 0 0 316.489 4.318 20 10 DICDRN CCCC[C@@H](COC)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788601433 1050713411 /nfs/dbraw/zinc/71/34/11/1050713411.db2.gz JOHHOMGJSLULSA-RYUDHWBXSA-N 0 0 319.367 4.267 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1=CCCCCC1 ZINC000772939288 1050725036 /nfs/dbraw/zinc/72/50/36/1050725036.db2.gz BZIBZDURTMJZJU-UHFFFAOYSA-N 0 0 314.473 4.380 20 10 DICDRN C[C@H]([NH2+]CCCc1ccccn1)c1cccc(C(F)(F)F)c1[O-] ZINC000788672216 1050729833 /nfs/dbraw/zinc/72/98/33/1050729833.db2.gz PGQGHUPYFKCLNC-LBPRGKRZSA-N 0 0 324.346 4.089 20 10 DICDRN COc1ccc(N(Cc2sc(C)nc2C)CC(C)C)cc1 ZINC000741782447 1050739088 /nfs/dbraw/zinc/73/90/88/1050739088.db2.gz VSKUZAWKORLVRT-UHFFFAOYSA-N 0 0 304.459 4.431 20 10 DICDRN C[C@@H]([NH2+]CCCC(F)(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000788812789 1050748725 /nfs/dbraw/zinc/74/87/25/1050748725.db2.gz FOCVDPBOEIKUCK-MRVPVSSYSA-N 0 0 315.257 4.404 20 10 DICDRN CCOc1cccc(CNc2cccc3c2OC(C)(C)C3)c1O ZINC000788973487 1050768584 /nfs/dbraw/zinc/76/85/84/1050768584.db2.gz RNPQXAUQQXUCQS-UHFFFAOYSA-N 0 0 313.397 4.117 20 10 DICDRN COc1cc(Cl)cc(CN2CC[C@@H]2c2cccc(F)c2)c1O ZINC000761203870 1050778061 /nfs/dbraw/zinc/77/80/61/1050778061.db2.gz ZEFBDFLMVIHVAS-OAHLLOKOSA-N 0 0 321.779 4.140 20 10 DICDRN CC(C)n1ccc(CN(C)c2ccc(-c3nccs3)cc2)n1 ZINC000846990374 1050792692 /nfs/dbraw/zinc/79/26/92/1050792692.db2.gz AFWUYPCFYLGKOI-UHFFFAOYSA-N 0 0 312.442 4.224 20 10 DICDRN Cc1nc(CCN(C)c2ccc(-c3nccs3)cc2)cs1 ZINC000846991636 1050793198 /nfs/dbraw/zinc/79/31/98/1050793198.db2.gz GHOLLPXINHFGHG-UHFFFAOYSA-N 0 0 315.467 4.254 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4.425 20 10 DICDRN Cc1cccc(/C=C2/SC(=S)N(c3ccsc3)C2=O)c1 ZINC000790108016 1050911029 /nfs/dbraw/zinc/91/10/29/1050911029.db2.gz MGSVPFQFZKAHMU-MDWZMJQESA-N 0 0 317.460 4.462 20 10 DICDRN Oc1ccc(Cl)c(F)c1CNc1ccc(C(F)(F)F)nc1 ZINC000790243857 1050931454 /nfs/dbraw/zinc/93/14/54/1050931454.db2.gz VTDUIHDDDLKKIL-UHFFFAOYSA-N 0 0 320.673 4.211 20 10 DICDRN COC1(CSc2ncc(-c3ccccc3)n2C)CCCC1 ZINC000790255099 1050932348 /nfs/dbraw/zinc/93/23/48/1050932348.db2.gz HJOCYVLAZHBOEU-UHFFFAOYSA-N 0 0 302.443 4.138 20 10 DICDRN Cc1cc(C(=O)NCCC(F)(F)F)c(C)n1-c1cccc(C)c1 ZINC000742924515 1050958721 /nfs/dbraw/zinc/95/87/21/1050958721.db2.gz BTUPCUMEXFXXJK-UHFFFAOYSA-N 0 0 324.346 4.085 20 10 DICDRN CCC(CC)(CNC(=O)C1=CC(=O)CS1)c1ccc(F)cc1 ZINC001148650121 1050958750 /nfs/dbraw/zinc/95/87/50/1050958750.db2.gz SYVHPDMTMHYKKK-UHFFFAOYSA-N 0 0 321.417 4.081 20 10 DICDRN CO[C@@H]1CCOc2c(N[C@H](C)c3ccc(F)cc3O)cccc21 ZINC000790501193 1050964338 /nfs/dbraw/zinc/96/43/38/1050964338.db2.gz UYZAMFHEVNPBBD-PIGZYNQJSA-N 0 0 317.360 4.174 20 10 DICDRN CO[C@H]1CCOc2c(N[C@@H](C)c3cc(C)ccc3O)cccc21 ZINC000790500241 1050964726 /nfs/dbraw/zinc/96/47/26/1050964726.db2.gz OHEUXOKBGKMYKE-UGSOOPFHSA-N 0 0 313.397 4.344 20 10 DICDRN C[C@H]([NH2+]Cc1ccc(C2CC2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000790712008 1050989479 /nfs/dbraw/zinc/98/94/79/1050989479.db2.gz YNCYNXQKESNKAH-LBPRGKRZSA-N 0 0 312.369 4.029 20 10 DICDRN Cc1ccccc1[C@H](O)CSc1ncc(-c2ccccc2)n1C ZINC000743256650 1051001311 /nfs/dbraw/zinc/00/13/11/1051001311.db2.gz OBXJQFAQLCLNEJ-GOSISDBHSA-N 0 0 324.449 4.221 20 10 DICDRN CC(=O)c1cc(Nc2ccccc2C(=O)c2ccncc2)cs1 ZINC001214791598 1051002772 /nfs/dbraw/zinc/00/27/72/1051002772.db2.gz ZMAKTCQEIPAXFL-UHFFFAOYSA-N 0 0 322.389 4.320 20 10 DICDRN CCOc1ccc(NCc2c(O)ccc(Cl)c2F)cc1F ZINC000790954040 1051009020 /nfs/dbraw/zinc/00/90/20/1051009020.db2.gz JHZJAVPCKJSUJS-UHFFFAOYSA-N 0 0 313.731 4.335 20 10 DICDRN Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790962797 1051010862 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Cn1ccc2cccc(NCc3c(O)ccc(Cl)c3F)c21 ZINC000790992354 1051013503 /nfs/dbraw/zinc/01/35/03/1051013503.db2.gz UZCJNNQDIQCSJS-UHFFFAOYSA-N 0 0 304.752 4.289 20 10 DICDRN CC[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773017499 1051022503 /nfs/dbraw/zinc/02/25/03/1051022503.db2.gz GWVNPOUAFNBTLH-WMZOPIPTSA-N 0 0 324.468 4.199 20 10 DICDRN C[C@@H](NC(=O)c1ccc2sccc2c1)c1ccc(N(C)C)cc1 ZINC000773017425 1051023451 /nfs/dbraw/zinc/02/34/51/1051023451.db2.gz UGBYXEKPXPBTNN-CYBMUJFWSA-N 0 0 324.449 4.458 20 10 DICDRN Cc1[nH]c2ccccc2c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773014216 1051023676 /nfs/dbraw/zinc/02/36/76/1051023676.db2.gz KSXBTAKWDRMSBO-ZDUSSCGKSA-N 0 0 321.424 4.033 20 10 DICDRN CC[C@@H](Cc1ccccc1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773017494 1051023745 /nfs/dbraw/zinc/02/37/45/1051023745.db2.gz GWVNPOUAFNBTLH-AEFFLSMTSA-N 0 0 324.468 4.199 20 10 DICDRN C/C(=C\C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000773021014 1051026485 /nfs/dbraw/zinc/02/64/85/1051026485.db2.gz QOCVWJLCXBIZIQ-IYOXOMEYSA-N 0 0 308.425 4.033 20 10 DICDRN CC(C)[C@H](NC(=O)C1=CC(=O)CS1)c1ccc(Cl)cc1 ZINC000743585575 1051045304 /nfs/dbraw/zinc/04/53/04/1051045304.db2.gz LFQRUHYFQSKMTL-AWEZNQCLSA-N 0 0 309.818 4.234 20 10 DICDRN CC(C)[C@@H](NC(=O)C1=CC(=O)CS1)c1ccccc1Cl ZINC000743592265 1051045817 /nfs/dbraw/zinc/04/58/17/1051045817.db2.gz YEFICWKVMWZLBY-CQSZACIVSA-N 0 0 309.818 4.234 20 10 DICDRN C[C@@H]1C[C@H]1[C@@H](NC(=O)C1=CC(=O)CS1)c1ccc(Cl)cc1 ZINC000743711592 1051057831 /nfs/dbraw/zinc/05/78/31/1051057831.db2.gz AMPIRHMCBDLNNT-PKPZWWHKSA-N 0 0 321.829 4.234 20 10 DICDRN C[C@H]1CCC[C@H](CC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000743719853 1051058736 /nfs/dbraw/zinc/05/87/36/1051058736.db2.gz XGGPNSCPPGXRPA-GJZGRUSLSA-N 0 0 315.457 4.104 20 10 DICDRN CSC(C)(C)CNC(=O)c1sccc1-n1c(C)ccc1C ZINC000743794501 1051067559 /nfs/dbraw/zinc/06/75/59/1051067559.db2.gz FPSCPSVMNKRBDB-UHFFFAOYSA-N 0 0 322.499 4.027 20 10 DICDRN CCN(CC)c1ccc(CN(C)Cc2ccncc2Cl)cc1 ZINC000743839798 1051072131 /nfs/dbraw/zinc/07/21/31/1051072131.db2.gz ZYTDYEJNFMVTPS-UHFFFAOYSA-N 0 0 317.864 4.213 20 10 DICDRN Oc1cc2ccccc2cc1CNc1ncccc1OC(F)F ZINC001171399085 1051084113 /nfs/dbraw/zinc/08/41/13/1051084113.db2.gz BPRDCZVJECGAIO-UHFFFAOYSA-N 0 0 316.307 4.154 20 10 DICDRN CC(C)(C)c1nccc(NCc2cc3ccccc3cc2O)n1 ZINC001171400355 1051085997 /nfs/dbraw/zinc/08/59/97/1051085997.db2.gz UWVFUJCRTOKXSF-UHFFFAOYSA-N 0 0 307.397 4.245 20 10 DICDRN CCc1cnc(Cl)nc1NCc1cc2ccccc2cc1O ZINC001171399765 1051087489 /nfs/dbraw/zinc/08/74/89/1051087489.db2.gz KZXIJBUEGHZWSC-UHFFFAOYSA-N 0 0 313.788 4.163 20 10 DICDRN CCc1cc(Cl)nnc1NCc1cc2ccccc2cc1O ZINC001171400612 1051089144 /nfs/dbraw/zinc/08/91/44/1051089144.db2.gz WRYFKOFTEQHNMW-UHFFFAOYSA-N 0 0 313.788 4.163 20 10 DICDRN Cc1ncc2ccc(NCc3cc4ccccc4cc3O)cc2n1 ZINC001171405489 1051091937 /nfs/dbraw/zinc/09/19/37/1051091937.db2.gz XFTFRSSGOJNTFK-UHFFFAOYSA-N 0 0 315.376 4.409 20 10 DICDRN Oc1cc2ccccc2cc1CNc1ccc2[nH]c(=S)[nH]c2c1 ZINC001171406743 1051093230 /nfs/dbraw/zinc/09/32/30/1051093230.db2.gz DNYKWZJFMRTBSM-UHFFFAOYSA-N 0 0 321.405 4.323 20 10 DICDRN Oc1cc2ccccc2cc1CNc1cccc2cnncc21 ZINC001171407163 1051095129 /nfs/dbraw/zinc/09/51/29/1051095129.db2.gz LTKRUCCBXOUKLW-UHFFFAOYSA-N 0 0 301.349 4.101 20 10 DICDRN Oc1ccc(Cl)cc1CNc1ccc(N2CCCC2)cc1 ZINC000037102358 1051109765 /nfs/dbraw/zinc/10/97/65/1051109765.db2.gz FKOYOLLSRQNLDJ-UHFFFAOYSA-N 0 0 302.805 4.258 20 10 DICDRN CN(C)c1ccc(CNc2cccc(Cl)c2N(C)C)cc1 ZINC000037127070 1051111881 /nfs/dbraw/zinc/11/18/81/1051111881.db2.gz QCYGVMAWVIOLBN-UHFFFAOYSA-N 0 0 303.837 4.084 20 10 DICDRN CC[N@H+](Cc1c([O-])ccc(Cl)c1F)[C@@H](C)c1cccc(O)c1 ZINC000792166628 1051123507 /nfs/dbraw/zinc/12/35/07/1051123507.db2.gz FBHPSEDNSWGJTQ-NSHDSACASA-N 0 0 323.795 4.473 20 10 DICDRN CC1(C)C[N@H+](Cc2cccc(Cl)c2[O-])CC[C@@H]1C(F)(F)F ZINC000792191403 1051126772 /nfs/dbraw/zinc/12/67/72/1051126772.db2.gz ZVQDBJOATDFYPR-LBPRGKRZSA-N 0 0 321.770 4.456 20 10 DICDRN CCc1cnc(COC(=O)c2ccc(-n3c(C)ccc3C)cc2)o1 ZINC000744553852 1051189077 /nfs/dbraw/zinc/18/90/77/1051189077.db2.gz TVBARCHAHWTQFF-UHFFFAOYSA-N 0 0 324.380 4.002 20 10 DICDRN Cc1cc2occ(C(=O)N[C@H](C)c3ccccc3O)c2cc1C ZINC001171723688 1051199543 /nfs/dbraw/zinc/19/95/43/1051199543.db2.gz XJRNGLSRUDQAEF-CYBMUJFWSA-N 0 0 309.365 4.246 20 10 DICDRN CCCCc1ccc(CC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001171730965 1051202328 /nfs/dbraw/zinc/20/23/28/1051202328.db2.gz UTJBJFQAQWRVQG-HNNXBMFYSA-N 0 0 311.425 4.155 20 10 DICDRN C[C@H](NC(=O)[C@@H](C)c1ccc(Cl)cc1)c1ccccc1O ZINC001171729377 1051202362 /nfs/dbraw/zinc/20/23/62/1051202362.db2.gz BENLRGPWOIRGLU-RYUDHWBXSA-N 0 0 303.789 4.027 20 10 DICDRN C[C@H](NC(=O)c1coc2ccc(Cl)cc21)c1ccccc1O ZINC001171730964 1051202501 /nfs/dbraw/zinc/20/25/01/1051202501.db2.gz USKILOAFBUYHTO-JTQLQIEISA-N 0 0 315.756 4.283 20 10 DICDRN Cc1ccc(C(=O)N[C@@H](C)c2ccccc2O)c(Cl)c1Cl ZINC001171731175 1051202723 /nfs/dbraw/zinc/20/27/23/1051202723.db2.gz ZQBCQLZORLPRRO-JTQLQIEISA-N 0 0 324.207 4.498 20 10 DICDRN Cc1cnc(COC(=O)c2cc(C)ccc2-n2c(C)ccc2C)o1 ZINC000744883957 1051208233 /nfs/dbraw/zinc/20/82/33/1051208233.db2.gz ATTZOWJDRAAJPE-UHFFFAOYSA-N 0 0 324.380 4.056 20 10 DICDRN Cc1cccnc1NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000792921497 1051229516 /nfs/dbraw/zinc/22/95/16/1051229516.db2.gz OMUPYLTYDAQJES-UHFFFAOYSA-N 0 0 309.335 4.087 20 10 DICDRN Cc1cncc(NCc2ccc(N(C)C)cc2C(F)(F)F)c1 ZINC000793023010 1051242575 /nfs/dbraw/zinc/24/25/75/1051242575.db2.gz BOKUNOIFGLNFKI-UHFFFAOYSA-N 0 0 309.335 4.087 20 10 DICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000793309907 1051277837 /nfs/dbraw/zinc/27/78/37/1051277837.db2.gz SUYYCFLEOMUBCK-HNNXBMFYSA-N 0 0 323.770 4.491 20 10 DICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000793305638 1051277946 /nfs/dbraw/zinc/27/79/46/1051277946.db2.gz SUYYCFLEOMUBCK-OAHLLOKOSA-N 0 0 323.770 4.491 20 10 DICDRN CC(C)Oc1c(F)cc(F)c(N(C)c2ccc(N)cc2)c1F ZINC001212646449 1051319274 /nfs/dbraw/zinc/31/92/74/1051319274.db2.gz YBJUFTCYYHLYAW-UHFFFAOYSA-N 0 0 310.319 4.241 20 10 DICDRN CCCCC[C@@](C)(CC)C(=O)NCc1ccc(OC)cc1O ZINC000794377328 1051373518 /nfs/dbraw/zinc/37/35/18/1051373518.db2.gz RUXGRTJWFHDZNB-GOSISDBHSA-N 0 0 307.434 4.014 20 10 DICDRN O=C(Cc1ccon1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000746403971 1051397448 /nfs/dbraw/zinc/39/74/48/1051397448.db2.gz GXDREDKNQBITKL-UHFFFAOYSA-N 0 0 306.325 4.271 20 10 DICDRN Oc1cccc(Nc2c(F)c(Cl)cc(Cl)c2F)c1O ZINC001215940125 1051471500 /nfs/dbraw/zinc/47/15/00/1051471500.db2.gz BLHYKEBBLMDQOE-UHFFFAOYSA-N 0 0 306.095 4.426 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2[C@@H](C)CCC2(C)C)cc1 ZINC001129674105 1051491259 /nfs/dbraw/zinc/49/12/59/1051491259.db2.gz BFPFSOIYJSOJEU-INIZCTEOSA-N 0 0 310.441 4.497 20 10 DICDRN Cc1c(Cl)cccc1-c1noc(-c2nnsc2C2CC2)n1 ZINC001212679587 1051494126 /nfs/dbraw/zinc/49/41/26/1051494126.db2.gz KKBZJOLNNHLHJY-UHFFFAOYSA-N 0 0 318.789 4.094 20 10 DICDRN Cc1ccc(-c2noc(-c3nnsc3C3CC3)n2)cc1Cl ZINC001212679879 1051495487 /nfs/dbraw/zinc/49/54/87/1051495487.db2.gz ZKRZZOQEAYBGNL-UHFFFAOYSA-N 0 0 318.789 4.094 20 10 DICDRN O=C(Nc1cccc2ccsc21)N1Cc2cccc(O)c2C1 ZINC001216080770 1051567241 /nfs/dbraw/zinc/56/72/41/1051567241.db2.gz PGDIFGAELQHPIM-UHFFFAOYSA-N 0 0 310.378 4.155 20 10 DICDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C[C@H](C)CC(C)C ZINC001129974434 1051582446 /nfs/dbraw/zinc/58/24/46/1051582446.db2.gz PGUGQBPGJHQOFD-WBVHZDCISA-N 0 0 318.505 4.181 20 10 DICDRN CC(C)[C@@H](CC(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000103190096 1051587312 /nfs/dbraw/zinc/58/73/12/1051587312.db2.gz BIGOJFBKSVHURD-GOSISDBHSA-N 0 0 311.425 4.181 20 10 DICDRN CC[C@@H]([NH2+]C[C@H]1CCCCO1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806133692 1051732945 /nfs/dbraw/zinc/73/29/45/1051732945.db2.gz CAZXGVJKHRWIRL-BXUZGUMPSA-N 0 0 318.244 4.309 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(Cl)c1[O-] ZINC000806137237 1051737817 /nfs/dbraw/zinc/73/78/17/1051737817.db2.gz LRCPOWINYFXZKB-INIZCTEOSA-N 0 0 317.816 4.221 20 10 DICDRN Cc1cc(Nc2cccc(O)c2O)ccc1C(=O)OC(C)(C)C ZINC001216382595 1051737908 /nfs/dbraw/zinc/73/79/08/1051737908.db2.gz ZVLHUOQIBLHIHG-UHFFFAOYSA-N 0 0 315.369 4.105 20 10 DICDRN CC[C@H]([NH2+]C[C@@](C)(O)C(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806139962 1051739318 /nfs/dbraw/zinc/73/93/18/1051739318.db2.gz SYJBIOCWELNTSR-DZGCQCFKSA-N 0 0 320.260 4.147 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)c1cccc(Cl)c1[O-] ZINC000806138666 1051739370 /nfs/dbraw/zinc/73/93/70/1051739370.db2.gz ZBNBOBUWVRGQNS-SJCJKPOMSA-N 0 0 319.832 4.423 20 10 DICDRN CC[C@H]([NH2+]C[C@](C)(O)C(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806139965 1051740617 /nfs/dbraw/zinc/74/06/17/1051740617.db2.gz SYJBIOCWELNTSR-ZFWWWQNUSA-N 0 0 320.260 4.147 20 10 DICDRN CC[C@@H]([NH2+]C[C@H](CO)C(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000806169537 1051746301 /nfs/dbraw/zinc/74/63/01/1051746301.db2.gz MUKQFWDSKIUYLD-ZWNOBZJWSA-N 0 0 320.260 4.004 20 10 DICDRN CCc1cnc(CC[NH2+][C@@H](CC)c2cccc(Cl)c2[O-])s1 ZINC000806140682 1051748571 /nfs/dbraw/zinc/74/85/71/1051748571.db2.gz AXYRZWRGGWWYAP-AWEZNQCLSA-N 0 0 324.877 4.348 20 10 DICDRN CC[C@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1cccc(Cl)c1[O-] ZINC000806141270 1051749826 /nfs/dbraw/zinc/74/98/26/1051749826.db2.gz HLYLZGAENXYVEI-YQQAZPJKSA-N 0 0 311.853 4.028 20 10 DICDRN CC[C@@H]([NH2+]Cc1nccn1CC(C)C)c1cccc(Cl)c1[O-] ZINC000806141424 1051750115 /nfs/dbraw/zinc/75/01/15/1051750115.db2.gz SJTNONSIFYSVOX-OAHLLOKOSA-N 0 0 321.852 4.139 20 10 DICDRN CC[C@H]([NH2+]Cc1ccn(C(C)C)n1)c1cccc(Cl)c1[O-] ZINC000806141574 1051750409 /nfs/dbraw/zinc/75/04/09/1051750409.db2.gz TWAROFBJGGPZTQ-HNNXBMFYSA-N 0 0 307.825 4.064 20 10 DICDRN CC[C@@H]([NH2+][C@@H](CC)COC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806141717 1051750996 /nfs/dbraw/zinc/75/09/96/1051750996.db2.gz UZLGOYBLFYSTBM-GXFFZTMASA-N 0 0 306.233 4.165 20 10 DICDRN CC[C@@H]([NH2+][C@@H](CCO)C(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806141507 1051751018 /nfs/dbraw/zinc/75/10/18/1051751018.db2.gz KGSIXWRTDDIWMV-KGLIPLIRSA-N 0 0 320.260 4.147 20 10 DICDRN CC(=O)[C@H](Cc1cccc(Cl)c1F)Sc1nccs1 ZINC000767062170 1051752672 /nfs/dbraw/zinc/75/26/72/1051752672.db2.gz PHCFXISXAGLPOS-NSHDSACASA-N 0 0 315.822 4.228 20 10 DICDRN CC[C@H]([NH2+]C[C@H](O)c1cccc(C)c1)c1cccc(Cl)c1[O-] ZINC000806149156 1051754692 /nfs/dbraw/zinc/75/46/92/1051754692.db2.gz PTPWKYGHDREWSU-IRXDYDNUSA-N 0 0 319.832 4.128 20 10 DICDRN CC[C@@H]([NH2+][C@@H](CO)C1CCCCC1)c1cccc(Cl)c1[O-] ZINC000806147542 1051754818 /nfs/dbraw/zinc/75/48/18/1051754818.db2.gz KIQBYPIIBGMWAM-CVEARBPZSA-N 0 0 311.853 4.028 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc2c(c1)COC2)c1cccc(Cl)c1[O-] ZINC000806148847 1051755237 /nfs/dbraw/zinc/75/52/37/1051755237.db2.gz LFQVHELIEDHWBH-KRWDZBQOSA-N 0 0 317.816 4.317 20 10 DICDRN CC[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1cccc(Cl)c1[O-] ZINC000806158566 1051760610 /nfs/dbraw/zinc/76/06/10/1051760610.db2.gz MKEHUWDZNJKULP-IOASZLSFSA-N 0 0 311.853 4.292 20 10 DICDRN CC[C@@H](Nc1cccc2c1OCO2)c1cccc(Cl)c1O ZINC000806157375 1051760874 /nfs/dbraw/zinc/76/08/74/1051760874.db2.gz FLODGKIVOIRWJZ-GFCCVEGCSA-N 0 0 305.761 4.338 20 10 DICDRN CC[C@H]([NH2+]CC1(C(F)(F)F)CC1)c1cccc(Cl)c1[O-] ZINC000806166590 1051766980 /nfs/dbraw/zinc/76/69/80/1051766980.db2.gz UKACODIZEROCDC-NSHDSACASA-N 0 0 307.743 4.429 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCC1(C)C)c1cc(Br)c(F)cc1[O-] ZINC000806168855 1051768590 /nfs/dbraw/zinc/76/85/90/1051768590.db2.gz DCFDVPWGDSWQJM-ISVAXAHUSA-N 0 0 316.214 4.133 20 10 DICDRN C[C@H]([NH2+]C[C@H]1CCCSC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000806178446 1051772468 /nfs/dbraw/zinc/77/24/68/1051772468.db2.gz GGHVEGSTOQNLOQ-VHSXEESVSA-N 0 0 320.285 4.493 20 10 DICDRN Cc1cc(Cl)ccc1/C=C1/SC(=S)N(C2CC2)C1=O ZINC000767358753 1051793872 /nfs/dbraw/zinc/79/38/72/1051793872.db2.gz DQZNBUUNJPLMBO-KPKJPENVSA-N 0 0 309.843 4.012 20 10 DICDRN CCC1(CC)C[N@H+](Cc2c(O)ccc3ccncc32)CCS1 ZINC000767475363 1051811667 /nfs/dbraw/zinc/81/16/67/1051811667.db2.gz CMNPWMSLZHXPSR-UHFFFAOYSA-N 0 0 316.470 4.048 20 10 DICDRN Nc1ccc(N(CCO)c2ccc(-c3ccccc3)cc2)cc1 ZINC001173809914 1051814598 /nfs/dbraw/zinc/81/45/98/1051814598.db2.gz 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SPWBUPDGINHVKB-VHEBQXMUSA-N 0 0 314.341 4.138 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)c2sc(C)cc2C)cc1 ZINC001350864403 1053112737 /nfs/dbraw/zinc/11/27/37/1053112737.db2.gz KLHWTUJWDUDKHJ-UHFFFAOYSA-N 0 0 316.470 4.141 20 10 DICDRN COc1ccc(O)c(CNc2ccccc2OC(C)(C)C)c1 ZINC000181064012 1053127861 /nfs/dbraw/zinc/12/78/61/1053127861.db2.gz BVSOGGZBEWPDIV-UHFFFAOYSA-N 0 0 301.386 4.190 20 10 DICDRN C[C@@H](NC(=O)NC1CCC(C)(C)CC1)c1ccc(N(C)C)cc1 ZINC001228728569 1053167956 /nfs/dbraw/zinc/16/79/56/1053167956.db2.gz AEXOSZCUADCSGP-CQSZACIVSA-N 0 0 317.477 4.082 20 10 DICDRN C/C(=C\c1cccnc1)C(=O)N(CC(F)(F)F)c1ccccc1 ZINC001360019198 1053176323 /nfs/dbraw/zinc/17/63/23/1053176323.db2.gz FZOBSBTVRFODIO-JLHYYAGUSA-N 0 0 320.314 4.080 20 10 DICDRN Cc1ncccc1/C=C\C(=O)N(C)c1cc(Cl)cc(Cl)c1 ZINC001360138034 1053190652 /nfs/dbraw/zinc/19/06/52/1053190652.db2.gz INAUHKHAILOFQK-WAYWQWQTSA-N 0 0 321.207 4.373 20 10 DICDRN Cc1ccc(SC[C@H](C)[NH2+]Cc2cccc(F)c2[O-])cc1 ZINC000770665590 1053214068 /nfs/dbraw/zinc/21/40/68/1053214068.db2.gz KJTNAPXMLLGLQB-ZDUSSCGKSA-N 0 0 305.418 4.110 20 10 DICDRN Cc1cc(CC(=O)N(C)CC(C)(C)C)c(C)n1-c1ccccc1 ZINC001360649352 1053254555 /nfs/dbraw/zinc/25/45/55/1053254555.db2.gz IZKRVGOWPVBCQA-UHFFFAOYSA-N 0 0 312.457 4.141 20 10 DICDRN CN(Cc1cc2ccccc2[nH]1)Cc1c(O)cccc1Cl ZINC001319716050 1053265995 /nfs/dbraw/zinc/26/59/95/1053265995.db2.gz SLUOKOMFEXKNON-UHFFFAOYSA-N 0 0 300.789 4.159 20 10 DICDRN Cc1ccc(N[C@@H](C)c2cc(Br)ccc2O)c(C)n1 ZINC001320423792 1053332385 /nfs/dbraw/zinc/33/23/85/1053332385.db2.gz BVRHGLDCPPQYKP-JTQLQIEISA-N 0 0 321.218 4.340 20 10 DICDRN Cc1ccc(N[C@H](C)c2cc(Br)ccc2O)c(C)n1 ZINC001320423794 1053333792 /nfs/dbraw/zinc/33/37/92/1053333792.db2.gz BVRHGLDCPPQYKP-SNVBAGLBSA-N 0 0 321.218 4.340 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCCC2(C)C)cc1 ZINC001361217576 1053338844 /nfs/dbraw/zinc/33/88/44/1053338844.db2.gz HKSVZYRRIJXWPZ-SFHVURJKSA-N 0 0 310.441 4.403 20 10 DICDRN Cc1cc(CC(=O)N(C)[C@H](C)C(C)C)c(C)n1-c1ccccc1 ZINC001352542013 1053349089 /nfs/dbraw/zinc/34/90/89/1053349089.db2.gz FCTRDLCVPTYGIN-MRXNPFEDSA-N 0 0 312.457 4.140 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H]1C[C@H]1Cc1ccccc1 ZINC001474751379 1053363756 /nfs/dbraw/zinc/36/37/56/1053363756.db2.gz MKLFJXSACZHEFJ-ZIAGYGMSSA-N 0 0 319.807 4.153 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1C[C@H]1Cc1ccccc1 ZINC001474751377 1053364746 /nfs/dbraw/zinc/36/47/46/1053364746.db2.gz MKLFJXSACZHEFJ-KGLIPLIRSA-N 0 0 319.807 4.153 20 10 DICDRN Cc1cccc(CNC(=S)Nc2cccc3ccccc32)n1 ZINC001200092073 1053371992 /nfs/dbraw/zinc/37/19/92/1053371992.db2.gz PHGCPXRYCJHFIL-UHFFFAOYSA-N 0 0 307.422 4.030 20 10 DICDRN Cc1cc(CC(=O)O[C@H]2CC[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC001127674714 1053372652 /nfs/dbraw/zinc/37/26/52/1053372652.db2.gz BEWOTFZZCVVRMF-KUHUBIRLSA-N 0 0 311.425 4.368 20 10 DICDRN COc1cccnc1NCc1cc(-c2ccccc2)ccc1O ZINC000763505935 1053377984 /nfs/dbraw/zinc/37/79/84/1053377984.db2.gz BDQOVVAFNIRLAU-UHFFFAOYSA-N 0 0 306.365 4.075 20 10 DICDRN COc1cccc(N[C@@H](C)c2ccccc2O)c1Br ZINC001321285536 1053406203 /nfs/dbraw/zinc/40/62/03/1053406203.db2.gz UCVRHWFGWDASLV-JTQLQIEISA-N 0 0 322.202 4.336 20 10 DICDRN O=C1C=CC(=NNc2ccccc2)C(O[C@H]2CCOC[C@@H]2F)=C1 ZINC001229813935 1053408693 /nfs/dbraw/zinc/40/86/93/1053408693.db2.gz CBZINOBPMNJGKQ-KIZWIEFCSA-N 0 0 316.332 4.313 20 10 DICDRN COC(=O)C[C@@H](C)OC1=CC(=O)C=CC1=NNc1ccccc1 ZINC001229813126 1053408799 /nfs/dbraw/zinc/40/87/99/1053408799.db2.gz FPSOZWBCHDYNMC-ROHOOWMXSA-N 0 0 314.341 4.138 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1CCC=CCC1 ZINC001352946481 1053440574 /nfs/dbraw/zinc/44/05/74/1053440574.db2.gz YEEBVFPHFOYJPM-UHFFFAOYSA-N 0 0 314.473 4.236 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H](OC)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC001321903473 1053442099 /nfs/dbraw/zinc/44/20/99/1053442099.db2.gz HOOCXAONAUPCPO-SJLPKXTDSA-N 0 0 321.367 4.099 20 10 DICDRN CCCCCC(C)(C)CNC(=O)N1Cc2cccc(O)c2C1 ZINC001230054549 1053467558 /nfs/dbraw/zinc/46/75/58/1053467558.db2.gz MIAQPYSGQFWJHY-UHFFFAOYSA-N 0 0 304.434 4.024 20 10 DICDRN Cc1cc(-c2nnc(-c3ccco3)o2)c(C)n1-c1ccccc1 ZINC001322271293 1053475553 /nfs/dbraw/zinc/47/55/53/1053475553.db2.gz HOYKSBYDMHITPI-UHFFFAOYSA-N 0 0 305.337 4.404 20 10 DICDRN CCN(C)c1ccc([C@@H](C)Nc2ccc(OC)c(OC)c2)cc1 ZINC000182752465 1053505423 /nfs/dbraw/zinc/50/54/23/1053505423.db2.gz NQYJZQHWFHYDHT-CQSZACIVSA-N 0 0 314.429 4.333 20 10 DICDRN CC[C@H](Nc1ccc(OC)c(OC)c1)c1ccc(N(C)C)cc1 ZINC000182750122 1053505937 /nfs/dbraw/zinc/50/59/37/1053505937.db2.gz SEMMGBSGSCRRRY-KRWDZBQOSA-N 0 0 314.429 4.333 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](C(C)C)C2)cc1 ZINC001435471337 1053565314 /nfs/dbraw/zinc/56/53/14/1053565314.db2.gz SSMPCCVIFYTURM-GOSISDBHSA-N 0 0 310.441 4.212 20 10 DICDRN CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CSCc3ccccc32)cc1 ZINC001200333130 1053567761 /nfs/dbraw/zinc/56/77/61/1053567761.db2.gz LPJRRNMFKFXQJV-KKHYBRAUSA-N 0 0 324.493 4.344 20 10 DICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1(C)CCCC1 ZINC000070904200 1053571244 /nfs/dbraw/zinc/57/12/44/1053571244.db2.gz UUXYXIANKTVPMK-UHFFFAOYSA-N 0 0 314.473 4.216 20 10 DICDRN Cc1cc2occ(C(=O)NCc3ccc(N(C)C)cc3)c2cc1C ZINC001353503535 1053590718 /nfs/dbraw/zinc/59/07/18/1053590718.db2.gz KCDVMCFTMPHJPW-UHFFFAOYSA-N 0 0 322.408 4.046 20 10 DICDRN Cc1cc(C(=O)NC2CC=CC2)c(C)n1-c1cccc(Cl)c1 ZINC001300325791 1053594099 /nfs/dbraw/zinc/59/40/99/1053594099.db2.gz KOCXLMRMLIUXNV-UHFFFAOYSA-N 0 0 314.816 4.196 20 10 DICDRN CO[C@@H]1Cc2ccc(NCc3ccc(N4CCCC4)cc3)cc2C1 ZINC001323786832 1053599102 /nfs/dbraw/zinc/59/91/02/1053599102.db2.gz ZDHMIIWBMOKFSE-OAQYLSRUSA-N 0 0 322.452 4.013 20 10 DICDRN CCn1cc(N[C@H](C)c2ccc(N3CCCCC3)c(F)c2)cn1 ZINC000183366083 1053647475 /nfs/dbraw/zinc/64/74/75/1053647475.db2.gz AISJRJYBKGOWQG-CQSZACIVSA-N 0 0 316.424 4.206 20 10 DICDRN C[C@H]([NH2+]CCCOc1cccc2cccnc21)c1ccccc1O ZINC000183602605 1053687383 /nfs/dbraw/zinc/68/73/83/1053687383.db2.gz CHSJPZHJPQIDEK-HNNXBMFYSA-N 0 0 322.408 4.060 20 10 DICDRN Cc1ncc(/C=C/C(=O)N2CCC[C@@H](C)c3ccccc32)s1 ZINC001435840166 1053699583 /nfs/dbraw/zinc/69/95/83/1053699583.db2.gz UJMWMUKELUQEIN-WTNCMQEWSA-N 0 0 312.438 4.395 20 10 DICDRN C[C@H]1CCC[C@H]1CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001353911093 1053705035 /nfs/dbraw/zinc/70/50/35/1053705035.db2.gz OAHNSHAYQMRBRZ-WMZOPIPTSA-N 0 0 314.473 4.072 20 10 DICDRN Cc1csc(CCC[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])n1 ZINC001325314223 1053712753 /nfs/dbraw/zinc/71/27/53/1053712753.db2.gz WCGMSPXIPVCBMF-NSHDSACASA-N 0 0 310.850 4.094 20 10 DICDRN C[C@H](Nc1cc(F)c(N2CCCC2)c(F)c1)c1ccccc1O ZINC000183651307 1053713812 /nfs/dbraw/zinc/71/38/12/1053713812.db2.gz PKKAIXXTEZRCHD-LBPRGKRZSA-N 0 0 318.367 4.444 20 10 DICDRN CSc1ccc(N[C@H]2C[C@@H](C)c3c2c(O)ccc3C)nc1 ZINC001325355778 1053715980 /nfs/dbraw/zinc/71/59/80/1053715980.db2.gz DHVBFBNAKJYKLT-YPMHNXCESA-N 0 0 300.427 4.478 20 10 DICDRN CCOC(=O)[C@H](C)Oc1ccc(NN=C2C=CC(=O)C=C2)cc1 ZINC001231319160 1053725267 /nfs/dbraw/zinc/72/52/67/1053725267.db2.gz GQFCQJKNJWKQCC-LBPRGKRZSA-N 0 0 314.341 4.138 20 10 DICDRN COc1cccc(NCc2cc(C)ccc2O)c1Br ZINC001325676560 1053727024 /nfs/dbraw/zinc/72/70/24/1053727024.db2.gz PRCQYYULLJNZAM-UHFFFAOYSA-N 0 0 322.202 4.084 20 10 DICDRN O=C1C=CC(=NNc2ccc(O[C@H]3CCOC[C@@H]3F)cc2)C=C1 ZINC001231319310 1053727317 /nfs/dbraw/zinc/72/73/17/1053727317.db2.gz IABOMLHEBDWGNB-IRXDYDNUSA-N 0 0 316.332 4.313 20 10 DICDRN CCCc1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC001435947478 1053734644 /nfs/dbraw/zinc/73/46/44/1053734644.db2.gz LCMKKMSLVHWIAX-OAHLLOKOSA-N 0 0 310.441 4.196 20 10 DICDRN CC(C)=C[C@@H]1[C@H](C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1(C)C ZINC001435948057 1053734742 /nfs/dbraw/zinc/73/47/42/1053734742.db2.gz MPKYQLQRTFTCFK-ZTFGCOKTSA-N 0 0 314.473 4.168 20 10 DICDRN CCCc1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC001435947475 1053734791 /nfs/dbraw/zinc/73/47/91/1053734791.db2.gz LCMKKMSLVHWIAX-HNNXBMFYSA-N 0 0 310.441 4.196 20 10 DICDRN C[C@@H](NC(=O)C1CCC(C2CC2)CC1)c1ccc(N(C)C)cc1 ZINC001435953553 1053736239 /nfs/dbraw/zinc/73/62/39/1053736239.db2.gz HQKWVRNRMAGMKV-RWBZWWBESA-N 0 0 314.473 4.146 20 10 DICDRN CCCCC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC001436047658 1053762006 /nfs/dbraw/zinc/76/20/06/1053762006.db2.gz LCXAWGRLQVBPAV-CQSZACIVSA-N 0 0 322.880 4.383 20 10 DICDRN Cc1cc(CC(=O)Nc2ccsc2)c(C)n1-c1ccccc1 ZINC001354096645 1053763123 /nfs/dbraw/zinc/76/31/23/1053763123.db2.gz KKEMCUFLDGTIIV-UHFFFAOYSA-N 0 0 310.422 4.337 20 10 DICDRN COc1cc(Cl)c(C)cc1NCc1ccc(N(C)C)c(F)c1 ZINC001200562143 1053763453 /nfs/dbraw/zinc/76/34/53/1053763453.db2.gz KCMGCZKHUKTYSS-UHFFFAOYSA-N 0 0 322.811 4.474 20 10 DICDRN CCN(C(=O)/C=C\c1cncc(C)c1)c1ccc(Cl)c(F)c1 ZINC001436067026 1053767643 /nfs/dbraw/zinc/76/76/43/1053767643.db2.gz WBIYEVJBBCEHTD-DAXSKMNVSA-N 0 0 318.779 4.249 20 10 DICDRN CC(C)(C)[C@H]1CN(C(=O)/C=C/c2cncc(F)c2)c2ccccc21 ZINC001436083171 1053772051 /nfs/dbraw/zinc/77/20/51/1053772051.db2.gz FJDICMBIDZIHJL-IJDCCNJMSA-N 0 0 324.399 4.410 20 10 DICDRN Oc1ccc2ccccc2c1CN1CCC[C@@H](F)C(F)(F)C1 ZINC001231588043 1053794019 /nfs/dbraw/zinc/79/40/19/1053794019.db2.gz LMLVFEBAQCCWSH-MRXNPFEDSA-N 0 0 309.331 4.115 20 10 DICDRN COC/C(C)=C/c1nnc(-c2cc(C)n(-c3ccccc3)c2C)o1 ZINC001326955235 1053811489 /nfs/dbraw/zinc/81/14/89/1053811489.db2.gz SKDIRELHOONRKM-JLHYYAGUSA-N 0 0 323.396 4.194 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)/C(C)=C/c1cccnc1 ZINC000848045924 1053816795 /nfs/dbraw/zinc/81/67/95/1053816795.db2.gz MCNMBUWMCQUJEO-DTQAZKPQSA-N 0 0 324.424 4.019 20 10 DICDRN COc1cc(C)c(N[C@H](C)c2cc(C)ccc2O)cc1OC ZINC000273542945 1053851178 /nfs/dbraw/zinc/85/11/78/1053851178.db2.gz YSQZUCODJUGITR-CYBMUJFWSA-N 0 0 301.386 4.199 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1Cl ZINC000071809067 1053878342 /nfs/dbraw/zinc/87/83/42/1053878342.db2.gz YLVDHPVLLJAXBF-UHFFFAOYSA-N 0 0 316.832 4.068 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCCCOc1ccccc1 ZINC001327868828 1053887481 /nfs/dbraw/zinc/88/74/81/1053887481.db2.gz MWHYRPPUTYXYDP-UHFFFAOYSA-N 0 0 323.795 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Cc1cc(C(=O)N2CC[C@@H](C3CC3)C2)c(C)n1-c1ccccc1C ZINC001566457875 1055774866 /nfs/dbraw/zinc/77/48/66/1055774866.db2.gz VNLVUGGPSDJPIX-GOSISDBHSA-N 0 0 322.452 4.275 20 10 DICDRN CCCC[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)C ZINC001539188058 1055798591 /nfs/dbraw/zinc/79/85/91/1055798591.db2.gz IPUQIXXZILSFSG-SFHVURJKSA-N 0 0 304.478 4.173 20 10 DICDRN COc1ccc(CNCc2coc(-c3cccs3)n2)cc1C ZINC000064411948 1055806286 /nfs/dbraw/zinc/80/62/86/1055806286.db2.gz CFQVCEDPMIBUSB-UHFFFAOYSA-N 0 0 314.410 4.010 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@]2(C)CCC[C@H]2C)cc1 ZINC001539307078 1055822450 /nfs/dbraw/zinc/82/24/50/1055822450.db2.gz HJGGTBJACCTSKG-UZLBHIALSA-N 0 0 316.489 4.318 20 10 DICDRN CC(C)n1ccc(-c2ccn(Cc3cccc(F)c3)c(=O)c2)c1 ZINC001239078621 1055839221 /nfs/dbraw/zinc/83/92/21/1055839221.db2.gz ULDBEHATFOSZRJ-UHFFFAOYSA-N 0 0 310.372 4.085 20 10 DICDRN CCC(CC)(CC)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001539469389 1055849249 /nfs/dbraw/zinc/84/92/49/1055849249.db2.gz ZZUPNPABTUUBNR-UHFFFAOYSA-N 0 0 316.489 4.462 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NOC1CCCC1 ZINC001597627969 1055855172 /nfs/dbraw/zinc/85/51/72/1055855172.db2.gz UKYPNXYMQAQVCW-UHFFFAOYSA-N 0 0 312.413 4.007 20 10 DICDRN O=C(NC[C@@H]1CCCC[C@H]1c1ccccc1)C1=CC(=O)CS1 ZINC001569128070 1055856070 /nfs/dbraw/zinc/85/60/70/1055856070.db2.gz GEKKMKYCBJGQAG-HOCLYGCPSA-N 0 0 315.438 4.158 20 10 DICDRN Cc1cc(C(=O)NC2(C(C)C)CC2)c(C)n1-c1ccccc1C ZINC001569460824 1055862952 /nfs/dbraw/zinc/86/29/52/1055862952.db2.gz CFASMXVJJCYBQV-UHFFFAOYSA-N 0 0 310.441 4.321 20 10 DICDRN CCCCC1(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC001597800119 1055877210 /nfs/dbraw/zinc/87/72/10/1055877210.db2.gz IANZGSAYRPHMIB-INIZCTEOSA-N 0 0 316.489 4.079 20 10 DICDRN C[C@@H](CCC(C)(C)C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC001597848903 1055883001 /nfs/dbraw/zinc/88/30/01/1055883001.db2.gz NMFIOINPHQQKFQ-HNNXBMFYSA-N 0 0 316.489 4.148 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H]1C[C@H]1C(C)C ZINC001570168178 1055888737 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C[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccc(F)cc1 ZINC001620779653 1055948136 /nfs/dbraw/zinc/94/81/36/1055948136.db2.gz KAUDMKLORDKOGR-SNVBAGLBSA-N 0 0 311.759 4.217 20 10 DICDRN CCOc1ccc(N(CCOCC2CCC2)CC2CC2)cc1 ZINC001620499030 1055955058 /nfs/dbraw/zinc/95/50/58/1055955058.db2.gz BMERWUZOBZSQPT-UHFFFAOYSA-N 0 0 303.446 4.118 20 10 DICDRN COC[C@H](CC(C)(C)C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC001620986701 1055958794 /nfs/dbraw/zinc/95/87/94/1055958794.db2.gz VSFBLONLIGZBSD-LBPRGKRZSA-N 0 0 320.260 4.240 20 10 DICDRN C[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)[C@H]1CC2CCC1CC2 ZINC001620991732 1055962407 /nfs/dbraw/zinc/96/24/07/1055962407.db2.gz JFTHBANFGHJTNQ-IKWCTNDRSA-N 0 0 311.828 4.489 20 10 DICDRN CC(C)CCC[C@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001540197934 1055990341 /nfs/dbraw/zinc/99/03/41/1055990341.db2.gz ZUUXUVYBVSOIKS-NSHDSACASA-N 0 0 321.442 4.257 20 10 DICDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@@H]2CCCC23CC3)c1 ZINC001621025202 1055991228 /nfs/dbraw/zinc/99/12/28/1055991228.db2.gz 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PHIZBTGAQBZBGB-FQEVSTJZSA-N 0 0 313.416 4.475 20 10 DICDRN COc1ccc(N(C)Cc2ccc(Cl)cc2C)c(OC)c1 ZINC001473293878 1061061768 /nfs/dbraw/zinc/06/17/68/1061061768.db2.gz BSJNHTMUJUGCKR-UHFFFAOYSA-N 0 0 305.805 4.302 20 10 DICDRN Cc1cc(CN[C@@H](C(C)(C)C)C(F)(F)F)ccc1N(C)C ZINC001473315565 1061079564 /nfs/dbraw/zinc/07/95/64/1061079564.db2.gz YPEGPBQSDYPOHM-AWEZNQCLSA-N 0 0 302.384 4.128 20 10 DICDRN CC(C)Cn1ncc(NCc2ccc(Cl)cc2O)c1C1CC1 ZINC001462301130 1061091086 /nfs/dbraw/zinc/09/10/86/1061091086.db2.gz YDWBIIBQTNYFPG-UHFFFAOYSA-N 0 0 319.836 4.388 20 10 DICDRN COc1ccc2nc(-c3ccccc3-c3cccnc3)n(C)c2c1 ZINC001250861880 1061099749 /nfs/dbraw/zinc/09/97/49/1061099749.db2.gz WDBYBJYFQXWJKL-UHFFFAOYSA-N 0 0 315.376 4.311 20 10 DICDRN CC(C)c1ccc(O)c(CNc2cccc([C@@H]3CCC(=O)N3)c2)c1 ZINC001462347863 1061121899 /nfs/dbraw/zinc/12/18/99/1061121899.db2.gz FDSKEWLPXRESFU-SFHVURJKSA-N 0 0 324.424 4.079 20 10 DICDRN CN(CCc1ccns1)c1ccc(OCc2ccccc2)cc1 ZINC001473389893 1061130160 /nfs/dbraw/zinc/13/01/60/1061130160.db2.gz VBWQMTNHZRJSTF-UHFFFAOYSA-N 0 0 324.449 4.401 20 10 DICDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@H]1CCSC1 ZINC001462364469 1061130250 /nfs/dbraw/zinc/13/02/50/1061130250.db2.gz GKTNUFXJTYBIJQ-GDBMZVCRSA-N 0 0 305.487 4.083 20 10 DICDRN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](C(C)C)C2)c1[O-] ZINC001473392808 1061132271 /nfs/dbraw/zinc/13/22/71/1061132271.db2.gz LQNQOKSWOIRLSE-CYBMUJFWSA-N 0 0 309.837 4.116 20 10 DICDRN COc1ccc(N(CCC(C)C)C[C@@H]2CCO[C@@H](C)C2)cc1 ZINC001473445216 1061163732 /nfs/dbraw/zinc/16/37/32/1061163732.db2.gz DAAMLKQTCNNSNK-DLBZAZTESA-N 0 0 305.462 4.363 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1C[C@H](Sc2ccccc2)C1 ZINC001462474116 1061195473 /nfs/dbraw/zinc/19/54/73/1061195473.db2.gz BGMZMIYQVOYLSK-CTYIDZIISA-N 0 0 319.857 4.459 20 10 DICDRN CCc1cccc(CNc2cc(F)cc(OC(F)F)c2)c1O ZINC001462523152 1061233630 /nfs/dbraw/zinc/23/36/30/1061233630.db2.gz PMXPXFSYFVNHQP-UHFFFAOYSA-N 0 0 311.303 4.307 20 10 DICDRN Cc1cc(C(=O)N[C@H]2CC[C@@H](C)C2)c(C)n1-c1ccccc1C ZINC001455833584 1061235998 /nfs/dbraw/zinc/23/59/98/1061235998.db2.gz LIHWEFLPGLWIOJ-DYVFJYSZSA-N 0 0 310.441 4.321 20 10 DICDRN Cc1ncsc1/C=C/C(=O)N1CCCc2c(C)cc(C)cc21 ZINC001455945846 1061246141 /nfs/dbraw/zinc/24/61/41/1061246141.db2.gz WQRHSCNJVJPJTP-VOTSOKGWSA-N 0 0 312.438 4.061 20 10 DICDRN C[C@H](C(=O)NCc1c(O)cccc1F)c1ccc2ccccc2c1 ZINC001456029944 1061259323 /nfs/dbraw/zinc/25/93/23/1061259323.db2.gz OSKNXJDMWNMLGX-ZDUSSCGKSA-N 0 0 323.367 4.104 20 10 DICDRN Oc1cc(Cl)ccc1CN1CCCCC[C@@H]1C(F)(F)F ZINC001462585763 1061278907 /nfs/dbraw/zinc/27/89/07/1061278907.db2.gz OVPPIDAUQGXXPH-CYBMUJFWSA-N 0 0 307.743 4.353 20 10 DICDRN CC(C)n1c2ccc(Cl)cc2nc1-c1cc(O)c(O)c(O)c1 ZINC001251248466 1061290103 /nfs/dbraw/zinc/29/01/03/1061290103.db2.gz SIPYHXLSTOTKLF-UHFFFAOYSA-N 0 0 318.760 4.054 20 10 DICDRN CC(C)Cc1c[nH]c(C(=O)NCc2c(O)ccc3ccccc32)c1 ZINC001456307496 1061296290 /nfs/dbraw/zinc/29/62/90/1061296290.db2.gz CQWZTJNNPCGSJE-UHFFFAOYSA-N 0 0 322.408 4.002 20 10 DICDRN C[C@@H](C(=O)NCc1c(O)ccc2ccccc21)c1cccc(F)c1 ZINC001456308882 1061296472 /nfs/dbraw/zinc/29/64/72/1061296472.db2.gz KWCCYIPQWCSXSC-CYBMUJFWSA-N 0 0 323.367 4.104 20 10 DICDRN Cc1ccc2c(c1)[C@H](NC(=O)N[C@H](C)c1ccccc1O)CCC2 ZINC001251306520 1061309008 /nfs/dbraw/zinc/30/90/08/1061309008.db2.gz HSVQSIDREZDIHH-RDTXWAMCSA-N 0 0 324.424 4.138 20 10 DICDRN CC[C@H](C)n1c2ccc(C)cc2nc1-c1cc(O)c(O)cc1O ZINC001251358141 1061333067 /nfs/dbraw/zinc/33/30/67/1061333067.db2.gz AMYUVZWKMPEISY-NSHDSACASA-N 0 0 312.369 4.100 20 10 DICDRN CC(C)[C@@H](C)n1c2ccccc2nc1-c1cc(O)c(O)cc1O ZINC001251358143 1061333154 /nfs/dbraw/zinc/33/31/54/1061333154.db2.gz ANYSJIFIKZLUFY-LLVKDONJSA-N 0 0 312.369 4.037 20 10 DICDRN FC(F)[C@@H](NCc1ccc2c(c1)CCCO2)c1ccccc1 ZINC001462679671 1061335629 /nfs/dbraw/zinc/33/56/29/1061335629.db2.gz CSXCYMDBRSWZQQ-KRWDZBQOSA-N 0 0 303.352 4.108 20 10 DICDRN Cc1cc(C)c2c(c1)CC[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001462681777 1061336097 /nfs/dbraw/zinc/33/60/97/1061336097.db2.gz GGPMFGSDZKHIPT-UHFFFAOYSA-N 0 0 301.817 4.221 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)NC(C)(C)/C=C\Cl)cc1 ZINC001462851986 1061370101 /nfs/dbraw/zinc/37/01/01/1061370101.db2.gz VAUHCTBLIIGBDQ-QXMHVHEDSA-N 0 0 316.832 4.355 20 10 DICDRN Cc1cc(C(=O)N2CCC=C(F)C2)c(C)n1-c1ccccc1C ZINC001546198261 1061371879 /nfs/dbraw/zinc/37/18/79/1061371879.db2.gz ZSRMRQDOKSHASW-UHFFFAOYSA-N 0 0 312.388 4.102 20 10 DICDRN CCOc1ccc(N(C[C@@H](COC)C(C)C)CC2CC2)cc1 ZINC001473719803 1061373171 /nfs/dbraw/zinc/37/31/71/1061373171.db2.gz QUZLWGDRDCKGOH-KRWDZBQOSA-N 0 0 305.462 4.220 20 10 DICDRN CCOc1ccc(N(C)Cc2ccc(Cl)nc2Cl)cc1 ZINC001473775662 1061402333 /nfs/dbraw/zinc/40/23/33/1061402333.db2.gz RZGVDFDTJFBGBK-UHFFFAOYSA-N 0 0 311.212 4.424 20 10 DICDRN CCC[C@@H](CC)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001457406259 1061449641 /nfs/dbraw/zinc/44/96/41/1061449641.db2.gz JEOHUINZJNTUJF-CQSZACIVSA-N 0 0 322.412 4.161 20 10 DICDRN CCCOC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC001463610960 1061503360 /nfs/dbraw/zinc/50/33/60/1061503360.db2.gz LYBDXMSRRFGQHN-ZDUSSCGKSA-N 0 0 324.852 4.213 20 10 DICDRN CC(C)[C@H]1CC[C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC001463762945 1061518163 /nfs/dbraw/zinc/51/81/63/1061518163.db2.gz IQQFWQSOKHIYLK-IYARVYRRSA-N 0 0 316.489 4.173 20 10 DICDRN CC(C)=C(C)CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC001464346280 1061581094 /nfs/dbraw/zinc/58/10/94/1061581094.db2.gz IFWZMCZGKOKVRT-UHFFFAOYSA-N 0 0 302.462 4.236 20 10 DICDRN CCOc1ccc(OCC)c(NCc2cc(F)cc(F)c2O)c1 ZINC001474048828 1061595475 /nfs/dbraw/zinc/59/54/75/1061595475.db2.gz GMTBMXPGBGCTIO-UHFFFAOYSA-N 0 0 323.339 4.080 20 10 DICDRN CCOc1cc(C)ccc1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001474066778 1061612970 /nfs/dbraw/zinc/61/29/70/1061612970.db2.gz MOMAMDXTJYSAQS-UHFFFAOYSA-N 0 0 323.795 4.182 20 10 DICDRN CN(C)c1ccc(/C=C/c2ccc(NCC(C)(C)O)cc2)cc1 ZINC001252361918 1061633707 /nfs/dbraw/zinc/63/37/07/1061633707.db2.gz AQLZTHKFVVOGBP-AATRIKPKSA-N 0 0 310.441 4.106 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)c1nc2ccc(F)cc2o1 ZINC001458248789 1061658447 /nfs/dbraw/zinc/65/84/47/1061658447.db2.gz QQLAYGHPGLFZDR-UHFFFAOYSA-N 0 0 313.376 4.059 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)[C@@]2(C)CCC[C@H]2C)cc1F ZINC001465003598 1061662044 /nfs/dbraw/zinc/66/20/44/1061662044.db2.gz CDZSBQHHULWANW-KUHUBIRLSA-N 0 0 320.452 4.114 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)C[C@H]2CC=CCC2)cc1F ZINC001465006219 1061662970 /nfs/dbraw/zinc/66/29/70/1061662970.db2.gz SGSDJGZXOSKBII-HNNXBMFYSA-N 0 0 318.436 4.035 20 10 DICDRN CC(C)OC[C@H](O)CNc1ccc(/N=N/c2ccccc2)cc1 ZINC001252682986 1061694133 /nfs/dbraw/zinc/69/41/33/1061694133.db2.gz GKLBDCUETCGFEH-PNBGARPFSA-N 0 0 313.401 4.300 20 10 DICDRN Cc1cc(N[C@H](C)c2ccc(N(C)C)cc2)c(F)cc1[N+](=O)[O-] ZINC001458330394 1061701637 /nfs/dbraw/zinc/70/16/37/1061701637.db2.gz YACPDJQMEHUTHW-GFCCVEGCSA-N 0 0 317.364 4.281 20 10 DICDRN O=C(NCc1cccc(Cl)c1O)Nc1ccccc1Cl ZINC001465186556 1061703775 /nfs/dbraw/zinc/70/37/75/1061703775.db2.gz KWNQJKXVRDSUTO-UHFFFAOYSA-N 0 0 311.168 4.021 20 10 DICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC001474163741 1061707268 /nfs/dbraw/zinc/70/72/68/1061707268.db2.gz CQEKVIFABKDGPB-AULYBMBSSA-N 0 0 323.770 4.360 20 10 DICDRN Cc1ccc(O)c(CNC(=O)Nc2cccc3ccccc32)c1 ZINC001465199673 1061710509 /nfs/dbraw/zinc/71/05/09/1061710509.db2.gz LVPZFCHMWJPDCV-UHFFFAOYSA-N 0 0 306.365 4.176 20 10 DICDRN CC(C)(C)C(F)(F)CNCc1ccc(N2CCCCC2)cc1 ZINC001474219339 1061778357 /nfs/dbraw/zinc/77/83/57/1061778357.db2.gz YPROWBCLIOASRG-UHFFFAOYSA-N 0 0 310.432 4.448 20 10 DICDRN CCc1ccc(NCc2ccc(N(C)C)cc2C(F)(F)F)nc1 ZINC001474246340 1061811369 /nfs/dbraw/zinc/81/13/69/1061811369.db2.gz RAAWZYYMAZTGEI-UHFFFAOYSA-N 0 0 323.362 4.341 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1cccc2ncccc12 ZINC001474258439 1061825353 /nfs/dbraw/zinc/82/53/53/1061825353.db2.gz IGLCZSAOLJMTBH-UHFFFAOYSA-N 0 0 316.763 4.023 20 10 DICDRN Oc1c(F)cc(Cl)cc1CNc1ccc(-c2ccon2)cc1 ZINC001474277573 1061844288 /nfs/dbraw/zinc/84/42/88/1061844288.db2.gz JUFZYZAFLSHXMA-UHFFFAOYSA-N 0 0 318.735 4.452 20 10 DICDRN CC[C@H](C)CCCCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001465954448 1061850297 /nfs/dbraw/zinc/85/02/97/1061850297.db2.gz PVCXLEOYWQMMNN-HNNXBMFYSA-N 0 0 317.473 4.494 20 10 DICDRN CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC001474321153 1061898789 /nfs/dbraw/zinc/89/87/89/1061898789.db2.gz ZVUVSYTUOYHQJE-HUUCEWRRSA-N 0 0 311.853 4.071 20 10 DICDRN [O-]c1c(F)cccc1C[N@@H+]1C[C@H]2CCCC[C@]21c1ccccc1 ZINC001474354204 1061968105 /nfs/dbraw/zinc/96/81/05/1061968105.db2.gz MHVUCLFKIRMVND-XLIONFOSSA-N 0 0 311.400 4.433 20 10 DICDRN Cc1cc(CC(=O)N2CCCCC[C@H]2C)c(C)n1-c1ccccc1 ZINC001459190489 1062038432 /nfs/dbraw/zinc/03/84/32/1062038432.db2.gz ZVQMNAQCBSBEFZ-MRXNPFEDSA-N 0 0 324.468 4.428 20 10 DICDRN Cc1ccncc1/C=C/C(=O)N(CC(C)(C)C)c1ccccc1 ZINC001459223273 1062046918 /nfs/dbraw/zinc/04/69/18/1062046918.db2.gz HQDBNVFYQHDONZ-ZHACJKMWSA-N 0 0 308.425 4.483 20 10 DICDRN CN(Cc1cccs1)c1ccc(CN2CCC(F)(F)C2)cc1 ZINC001474397419 1062050902 /nfs/dbraw/zinc/05/09/02/1062050902.db2.gz YRXGJXDUACYRND-UHFFFAOYSA-N 0 0 322.424 4.226 20 10 DICDRN CCc1cn(CC(=O)c2cc(C)n(-c3ccccc3C)c2C)cn1 ZINC001459257996 1062061531 /nfs/dbraw/zinc/06/15/31/1062061531.db2.gz DQYKJHSEBXLAHD-UHFFFAOYSA-N 0 0 321.424 4.044 20 10 DICDRN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCc2ccccc21 ZINC001474413095 1062076005 /nfs/dbraw/zinc/07/60/05/1062076005.db2.gz UPRBJRZVLNJXBE-MRXNPFEDSA-N 0 0 305.780 4.304 20 10 DICDRN COc1ccc2c(c1)CCCN2CCc1ccc(F)cc1Cl ZINC001474428369 1062101046 /nfs/dbraw/zinc/10/10/46/1062101046.db2.gz AYPMRBVWZBEOLT-UHFFFAOYSA-N 0 0 319.807 4.483 20 10 DICDRN CN1CCN(Cc2cccc(Cl)c2O)c2cc(Cl)ccc21 ZINC001474431977 1062106106 /nfs/dbraw/zinc/10/61/06/1062106106.db2.gz UGHGVXGVRDIJGR-UHFFFAOYSA-N 0 0 323.223 4.155 20 10 DICDRN COc1ccc(N(C)Cc2cc3ccccc3n2C)cc1Cl ZINC001474431512 1062106425 /nfs/dbraw/zinc/10/64/25/1062106425.db2.gz KCEDMRMUIMKYDZ-UHFFFAOYSA-N 0 0 314.816 4.477 20 10 DICDRN COc1ccc(N(C)Cc2ccc(F)c(F)c2F)cc1Cl ZINC001474431497 1062107202 /nfs/dbraw/zinc/10/72/02/1062107202.db2.gz JUHTVBNLYQVXBB-UHFFFAOYSA-N 0 0 315.722 4.402 20 10 DICDRN Cc1ccc2ncc(CN(C)c3ccc(OC(C)C)cc3)n2c1 ZINC001474442745 1062120438 /nfs/dbraw/zinc/12/04/38/1062120438.db2.gz PQFSRUVPHDZKJT-UHFFFAOYSA-N 0 0 309.413 4.066 20 10 DICDRN CCc1c(NCc2ccc(Cl)cc2O)cnn1CCC(C)C ZINC001474442590 1062121280 /nfs/dbraw/zinc/12/12/80/1062121280.db2.gz KRUAZPRUPJCVLD-UHFFFAOYSA-N 0 0 321.852 4.463 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CC[C@H](C)CC1 ZINC001467497689 1062139591 /nfs/dbraw/zinc/13/95/91/1062139591.db2.gz MEYSJVZTIDHFQW-WKILWMFISA-N 0 0 303.446 4.347 20 10 DICDRN CCc1cccc(CN2C[C@H](C)CN(C)c3ccccc32)c1O ZINC001474523686 1062208454 /nfs/dbraw/zinc/20/84/54/1062208454.db2.gz WGDNHJVDGMLVEB-OAHLLOKOSA-N 0 0 310.441 4.047 20 10 DICDRN C[C@@H]([NH2+]CCC1CCOCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC001254721559 1062237730 /nfs/dbraw/zinc/23/77/30/1062237730.db2.gz UBDZVJBJPHSCFV-SNVBAGLBSA-N 0 0 318.244 4.166 20 10 DICDRN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001474544405 1062239128 /nfs/dbraw/zinc/23/91/28/1062239128.db2.gz GOSBLXJFHGJQNX-XNJGSVPQSA-N 0 0 317.379 4.437 20 10 DICDRN CCC(CC)[N@H+](CC)Cc1cc(Br)cc(C)c1O ZINC001474554743 1062253846 /nfs/dbraw/zinc/25/38/46/1062253846.db2.gz NCVCKFTVUSSPQV-UHFFFAOYSA-N 0 0 314.267 4.474 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)CC(C)(C)C)cc1 ZINC001468121742 1062264649 /nfs/dbraw/zinc/26/46/49/1062264649.db2.gz UPKBXYCLVSBIPT-HNNXBMFYSA-N 0 0 319.493 4.157 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)N[C@H](C)CC(C)(C)C)cc1 ZINC001468121743 1062265509 /nfs/dbraw/zinc/26/55/09/1062265509.db2.gz UPKBXYCLVSBIPT-OAHLLOKOSA-N 0 0 319.493 4.157 20 10 DICDRN CCC[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(C)(C)C ZINC001468163937 1062273205 /nfs/dbraw/zinc/27/32/05/1062273205.db2.gz RLTBFLLNWWRRDB-HNNXBMFYSA-N 0 0 321.442 4.257 20 10 DICDRN C[C@](Cc1ccccc1)([NH2+]Cc1cc(F)c(F)cc1[O-])C1CC1 ZINC001474583502 1062294041 /nfs/dbraw/zinc/29/40/41/1062294041.db2.gz JZZKUYZWTIULGA-LJQANCHMSA-N 0 0 317.379 4.171 20 10 DICDRN COc1ccc(N(C)C[C@@H]2CC(C)(C)OC2(C)C)cc1Cl ZINC001459714397 1062328783 /nfs/dbraw/zinc/32/87/83/1062328783.db2.gz GBEFYRFDELNDLE-LBPRGKRZSA-N 0 0 311.853 4.379 20 10 DICDRN COc1ccc(N(CCc2ccccc2)Cc2ccccn2)cc1 ZINC001459714087 1062329501 /nfs/dbraw/zinc/32/95/01/1062329501.db2.gz DTXYAXOOCQBZBC-UHFFFAOYSA-N 0 0 318.420 4.340 20 10 DICDRN CC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001474624483 1062344959 /nfs/dbraw/zinc/34/49/59/1062344959.db2.gz VMSZAIIXKWVJNF-INIZCTEOSA-N 0 0 307.796 4.296 20 10 DICDRN CCC1CN(C(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)C1 ZINC001468778250 1062395549 /nfs/dbraw/zinc/39/55/49/1062395549.db2.gz MVSAURGWNHDUGZ-UHFFFAOYSA-N 0 0 316.832 4.230 20 10 DICDRN CCCCC[C@@H](CC)C(=O)Nc1c2nonc2ccc1Cl ZINC001459787103 1062400292 /nfs/dbraw/zinc/40/02/92/1062400292.db2.gz ATXVXMRRLONMQE-SNVBAGLBSA-N 0 0 309.797 4.421 20 10 DICDRN COc1ccc(N(CCSc2ccncc2)C(C)C)cc1F ZINC001459804409 1062412434 /nfs/dbraw/zinc/41/24/34/1062412434.db2.gz VJOVQLMQCGLDPD-UHFFFAOYSA-N 0 0 320.433 4.236 20 10 DICDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H]2CC2(C)C)c1 ZINC001468926144 1062438763 /nfs/dbraw/zinc/43/87/63/1062438763.db2.gz NQPQGLHHTZPZHY-INIZCTEOSA-N 0 0 316.832 4.276 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)OCCC(C)C)cc1 ZINC001474811239 1062473604 /nfs/dbraw/zinc/47/36/04/1062473604.db2.gz GZPWIIWYVLKFOP-UHFFFAOYSA-N 0 0 306.450 4.147 20 10 DICDRN C[C@H](CC(F)(F)F)[NH2+]Cc1cc(Cl)c2cccnc2c1[O-] ZINC001255637055 1062492342 /nfs/dbraw/zinc/49/23/42/1062492342.db2.gz WTWSUZBTDJDDPW-MRVPVSSYSA-N 0 0 318.726 4.024 20 10 DICDRN C[C@@H](NC(=O)OCC1CCCCC1)c1ccc(N(C)C)cc1 ZINC001475213636 1062498754 /nfs/dbraw/zinc/49/87/54/1062498754.db2.gz VBFOBGDCUFBCCC-CQSZACIVSA-N 0 0 304.434 4.120 20 10 DICDRN CC(C)Oc1ccc(N(C)C[C@H]2CCC3(CCC3)CO2)cc1 ZINC001459949176 1062518545 /nfs/dbraw/zinc/51/85/45/1062518545.db2.gz FORBUFVHCMBMTJ-GOSISDBHSA-N 0 0 303.446 4.259 20 10 DICDRN CSc1cccc(NC(=O)NCc2cccc(Cl)c2O)c1 ZINC001475943673 1062559364 /nfs/dbraw/zinc/55/93/64/1062559364.db2.gz GXHYMKRQNKVTAT-UHFFFAOYSA-N 0 0 322.817 4.089 20 10 DICDRN Cc1ccc2cccc(NC(=O)N[C@H](C)c3ccccc3O)c2n1 ZINC001476110632 1062590992 /nfs/dbraw/zinc/59/09/92/1062590992.db2.gz CQJJDVCKDQIQTG-CYBMUJFWSA-N 0 0 321.380 4.132 20 10 DICDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC001469876049 1062648536 /nfs/dbraw/zinc/64/85/36/1062648536.db2.gz AMWHUFWKRARFLQ-APHBMKBZSA-N 0 0 321.848 4.268 20 10 DICDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC001469876052 1062649594 /nfs/dbraw/zinc/64/95/94/1062649594.db2.gz AMWHUFWKRARFLQ-DAXOMENPSA-N 0 0 321.848 4.268 20 10 DICDRN [O-]c1c(C[NH2+]C2CCCCCC2)cc(Cl)c2cccnc12 ZINC001255881042 1062650396 /nfs/dbraw/zinc/65/03/96/1062650396.db2.gz AHDHTBVTSNSFIN-UHFFFAOYSA-N 0 0 304.821 4.406 20 10 DICDRN COc1ccc(N(CC2CC2)C[C@]2(C)CC2(Cl)Cl)cc1 ZINC001460132326 1062651743 /nfs/dbraw/zinc/65/17/43/1062651743.db2.gz TXJFULHHUBXKHN-HNNXBMFYSA-N 0 0 314.256 4.496 20 10 DICDRN COc1cccc(CN(C)c2ccc(-c3nccs3)cc2)c1 ZINC001460211643 1062701172 /nfs/dbraw/zinc/70/11/72/1062701172.db2.gz YKVGRIUYEOIYTO-UHFFFAOYSA-N 0 0 310.422 4.455 20 10 DICDRN CSc1cc(C)ccc1NC(=O)N(C)Cc1ccccc1O ZINC001476754232 1062713670 /nfs/dbraw/zinc/71/36/70/1062713670.db2.gz LMTRBFSJLQCUAH-UHFFFAOYSA-N 0 0 316.426 4.086 20 10 DICDRN CSc1cc(F)ccc1NC(=O)N[C@H](C)c1ccccc1O ZINC001476789390 1062719833 /nfs/dbraw/zinc/71/98/33/1062719833.db2.gz AJRMTGRLALANCB-SNVBAGLBSA-N 0 0 320.389 4.136 20 10 DICDRN Cc1sc(NC(=O)N[C@@H](C)c2ccccc2O)nc1C(C)C ZINC001476855024 1062734284 /nfs/dbraw/zinc/73/42/84/1062734284.db2.gz ZTXLKZNENIPCLW-JTQLQIEISA-N 0 0 319.430 4.163 20 10 DICDRN CCC[C@H](NC(=O)NCc1cc(Cl)ccc1O)C1CCCC1 ZINC001470481053 1062792259 /nfs/dbraw/zinc/79/22/59/1062792259.db2.gz ZVSOEUWZPVUFAD-HNNXBMFYSA-N 0 0 324.852 4.204 20 10 DICDRN CCC[C@@H](C)NC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001477428578 1062880362 /nfs/dbraw/zinc/88/03/62/1062880362.db2.gz ILCWLMQFUGRXOQ-CQSZACIVSA-N 0 0 313.445 4.082 20 10 DICDRN CC(C)[C@H](NC(=O)N[C@H](C)c1ccccc1O)c1ccccc1 ZINC001477458850 1062883022 /nfs/dbraw/zinc/88/30/22/1062883022.db2.gz FYVSLJOPKJAVSW-KDOFPFPSSA-N 0 0 312.413 4.150 20 10 DICDRN C[C@@H](NC(=O)[C@@H](C)c1ccc(Cl)cc1)c1ccccc1O ZINC001471195082 1062938158 /nfs/dbraw/zinc/93/81/58/1062938158.db2.gz BENLRGPWOIRGLU-NWDGAFQWSA-N 0 0 303.789 4.027 20 10 DICDRN CC[C@H](Cc1ccccc1C)C(=O)N[C@H](C)c1ccccc1O ZINC001471195419 1062940244 /nfs/dbraw/zinc/94/02/44/1062940244.db2.gz HTGRAGIBZBKLKZ-HZPDHXFCSA-N 0 0 311.425 4.147 20 10 DICDRN CCc1ccc([C@@H](C)CC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001471195361 1062940932 /nfs/dbraw/zinc/94/09/32/1062940932.db2.gz XHDBKSGGKYYLMB-GJZGRUSLSA-N 0 0 311.425 4.326 20 10 DICDRN CCOc1ccc(N(Cc2cnc(C)s2)CC2CC2)cc1 ZINC001460629595 1062951312 /nfs/dbraw/zinc/95/13/12/1062951312.db2.gz GLUKSPWIMBPNJQ-UHFFFAOYSA-N 0 0 302.443 4.267 20 10 DICDRN Clc1cccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)n1 ZINC001256935040 1063055233 /nfs/dbraw/zinc/05/52/33/1063055233.db2.gz DROYZLHIEQZJRI-UHFFFAOYSA-N 0 0 322.755 4.243 20 10 DICDRN Cc1ccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)c(O)c1 ZINC001256941177 1063059123 /nfs/dbraw/zinc/05/91/23/1063059123.db2.gz SJWXHTZCADYANM-UHFFFAOYSA-N 0 0 317.348 4.208 20 10 DICDRN FC(F)(F)/C=C/c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256961909 1063061625 /nfs/dbraw/zinc/06/16/25/1063061625.db2.gz ZEWYRCBVJRCJSP-BQYQJAHWSA-N 0 0 305.259 4.103 20 10 DICDRN COc1ccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)s1 ZINC001256978602 1063068365 /nfs/dbraw/zinc/06/83/65/1063068365.db2.gz OZSBNRGVWHZZQU-UHFFFAOYSA-N 0 0 323.377 4.264 20 10 DICDRN Cc1ccnc(F)c1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256988581 1063072168 /nfs/dbraw/zinc/07/21/68/1063072168.db2.gz YSQQHHVHJAIGRM-UHFFFAOYSA-N 0 0 320.327 4.037 20 10 DICDRN C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NCc1cc(Cl)ccc1O ZINC001478104690 1063077852 /nfs/dbraw/zinc/07/78/52/1063077852.db2.gz ZUWIYYAWJJCXHJ-RISCZKNCSA-N 0 0 324.852 4.060 20 10 DICDRN CCN(CC)c1ccc(CNc2cc(C(C)(C)C)ncn2)cc1 ZINC001472662909 1063129748 /nfs/dbraw/zinc/12/97/48/1063129748.db2.gz ONCDFYDUZVVJND-UHFFFAOYSA-N 0 0 312.461 4.232 20 10 DICDRN CCOC(=O)c1cnc(S[C@@H](C)c2ccc(OC)cc2)s1 ZINC001472672266 1063136232 /nfs/dbraw/zinc/13/62/32/1063136232.db2.gz MRTSTDMORBUNBW-JTQLQIEISA-N 0 0 323.439 4.182 20 10 DICDRN CC(C)[C@H]1CCC[C@@H](NC(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC001478485937 1063190716 /nfs/dbraw/zinc/19/07/16/1063190716.db2.gz FXVYIPIPFPSHMJ-HRCADAONSA-N 0 0 318.461 4.357 20 10 DICDRN C[C@H](CC1CCCCC1)NC(=O)N[C@@H](C)c1ccccc1O ZINC001478539378 1063206637 /nfs/dbraw/zinc/20/66/37/1063206637.db2.gz HYVVWGXAXNROSA-KGLIPLIRSA-N 0 0 304.434 4.111 20 10 DICDRN CCCC(CCC)[NH2+]Cc1ccc(Br)cc1O ZINC001257333242 1063214048 /nfs/dbraw/zinc/21/40/48/1063214048.db2.gz MXTXJDYKBCKDER-UHFFFAOYSA-N 0 0 300.240 4.213 20 10 DICDRN CCCCN(Cc1ccccc1O)c1ncnc2ccsc21 ZINC001472765768 1063217736 /nfs/dbraw/zinc/21/77/36/1063217736.db2.gz KWJDMBIKUKFBHS-UHFFFAOYSA-N 0 0 313.426 4.204 20 10 DICDRN CCN(CC)c1ccc(CNCc2c(F)cccc2F)cc1 ZINC001461066052 1063226683 /nfs/dbraw/zinc/22/66/83/1063226683.db2.gz YSLLJYMZFCKATJ-UHFFFAOYSA-N 0 0 304.384 4.101 20 10 DICDRN C[C@@H](NC(=O)N[C@@H](C)c1ccccc1Cl)c1ccccc1O ZINC001478714296 1063258927 /nfs/dbraw/zinc/25/89/27/1063258927.db2.gz CNDAJTIDDHUZFR-NWDGAFQWSA-N 0 0 318.804 4.167 20 10 DICDRN CC(C)(C)c1nccc(NCc2ccc(N3CCCCC3)cc2)n1 ZINC001472820170 1063265004 /nfs/dbraw/zinc/26/50/04/1063265004.db2.gz CVDHSTGPUZOMGW-UHFFFAOYSA-N 0 0 324.472 4.377 20 10 DICDRN CC(C)(C)[C@H]1CCCC[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001461134330 1063283908 /nfs/dbraw/zinc/28/39/08/1063283908.db2.gz YXYQSFKGDWZPGA-CJNGLKHVSA-N 0 0 320.433 4.243 20 10 DICDRN CC(C)(C)[C@@H]1CCCC[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001461134338 1063283957 /nfs/dbraw/zinc/28/39/57/1063283957.db2.gz YXYQSFKGDWZPGA-XJKSGUPXSA-N 0 0 320.433 4.243 20 10 DICDRN O[C@@H](CSc1nccs1)c1ccc(Cl)cc1Cl ZINC001472981141 1063341648 /nfs/dbraw/zinc/34/16/48/1063341648.db2.gz UBZSHKNVNQEVNG-JTQLQIEISA-N 0 0 306.239 4.276 20 10 DICDRN Cc1ccc(CC[C@H](C)[NH2+]Cc2c([O-])ccc(Cl)c2F)o1 ZINC001461238653 1063357387 /nfs/dbraw/zinc/35/73/87/1063357387.db2.gz LAGHPBJGIPEXSR-JTQLQIEISA-N 0 0 311.784 4.197 20 10 DICDRN COC(=O)c1cnc(S[C@H]2CCCc3ccc(F)cc32)s1 ZINC001473035603 1063367067 /nfs/dbraw/zinc/36/70/67/1063367067.db2.gz QDBPISCNDIUNIL-LBPRGKRZSA-N 0 0 323.414 4.239 20 10 DICDRN Cn1cnc2cc(NCc3ccccc3OC(F)(F)F)ccc21 ZINC001461294221 1063398394 /nfs/dbraw/zinc/39/83/94/1063398394.db2.gz REGLYYRYVUPOHU-UHFFFAOYSA-N 0 0 321.302 4.084 20 10 DICDRN Oc1c(F)cc(F)cc1CNc1cc(F)ccc1OC(F)F ZINC001461316151 1063411414 /nfs/dbraw/zinc/41/14/14/1063411414.db2.gz SWLGJSKWMLJAQO-UHFFFAOYSA-N 0 0 319.229 4.023 20 10 DICDRN CC(C)Cc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1 ZINC001461324344 1063418961 /nfs/dbraw/zinc/41/89/61/1063418961.db2.gz LPGYEDUOVXQLFZ-UHFFFAOYSA-N 0 0 324.468 4.334 20 10 DICDRN CC[C@H](C)n1ncc(NCc2c(O)cc(C)cc2Cl)c1C ZINC001461485327 1063532314 /nfs/dbraw/zinc/53/23/14/1063532314.db2.gz WDCJQODGJMFYAC-NSHDSACASA-N 0 0 307.825 4.442 20 10 DICDRN CCCOc1ccc(NCc2ccc(N(C)C)c(F)c2)cc1F ZINC001461671893 1063649636 /nfs/dbraw/zinc/64/96/36/1063649636.db2.gz QTHVPPCFUWXFBP-UHFFFAOYSA-N 0 0 320.383 4.432 20 10 DICDRN Cc1cccc([C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C(C)C)c1 ZINC001461676518 1063653584 /nfs/dbraw/zinc/65/35/84/1063653584.db2.gz PRBFHSQGBWQISE-QGZVFWFLSA-N 0 0 305.368 4.466 20 10 DICDRN CN(C)c1ccc(/C=C\CNc2cnn(C3CCCC3)c2)cc1 ZINC001461771976 1063708426 /nfs/dbraw/zinc/70/84/26/1063708426.db2.gz BCBXRMGWUQELKI-WAYWQWQTSA-N 0 0 310.445 4.190 20 10 DICDRN Cc1cc(Br)c([O-])c(C[NH2+]C2CCC=CCC2)c1 ZINC001461772877 1063708572 /nfs/dbraw/zinc/70/85/72/1063708572.db2.gz BSJIIAKDQCLISO-UHFFFAOYSA-N 0 0 310.235 4.052 20 10 DICDRN C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001461893119 1063781347 /nfs/dbraw/zinc/78/13/47/1063781347.db2.gz BENJFUYQVXGUHE-MLGOLLRUSA-N 0 0 303.352 4.048 20 10 DICDRN CC(C)C[N@H+](CCc1ccccc1)Cc1ccc(F)c(F)c1[O-] ZINC001461934888 1063821603 /nfs/dbraw/zinc/82/16/03/1063821603.db2.gz 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CCn1nc(CN2CCCc3cc(OC)ccc32)c2ccccc21 ZINC001308674801 1066149585 /nfs/dbraw/zinc/14/95/85/1066149585.db2.gz NPXRCJNWGKZXFV-UHFFFAOYSA-N 0 0 321.424 4.018 20 10 DICDRN C[C@H]1Cc2ccccc2N(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC001308676512 1066150756 /nfs/dbraw/zinc/15/07/56/1066150756.db2.gz NAHGWYUEPMCBLO-LXXRFIIISA-N 0 0 306.453 4.465 20 10 DICDRN CC(C)[C@@H](C[NH2+]Cc1cc(F)c(F)cc1[O-])Cc1ccccc1 ZINC001308699906 1066187101 /nfs/dbraw/zinc/18/71/01/1066187101.db2.gz GBVGYAYNUCZPJR-OAHLLOKOSA-N 0 0 319.395 4.275 20 10 DICDRN CC(C)[C@H](C[NH2+]Cc1cc(F)c(F)cc1[O-])Cc1ccccc1 ZINC001308699905 1066187426 /nfs/dbraw/zinc/18/74/26/1066187426.db2.gz GBVGYAYNUCZPJR-HNNXBMFYSA-N 0 0 319.395 4.275 20 10 DICDRN Oc1cc(Cl)ccc1CN1CCOc2c(Cl)cccc21 ZINC001308698918 1066187597 /nfs/dbraw/zinc/18/75/97/1066187597.db2.gz XWYHKWKGKHMIFC-UHFFFAOYSA-N 0 0 310.180 4.098 20 10 DICDRN CC[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)c2ccccc2O1 ZINC001308706439 1066191430 /nfs/dbraw/zinc/19/14/30/1066191430.db2.gz NMVRSWQYTFURQM-GFCCVEGCSA-N 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/nfs/dbraw/zinc/32/62/01/1066326201.db2.gz ZAEULUYQPKXHFW-AATRIKPKSA-N 0 0 322.452 4.282 20 10 DICDRN CCc1cccc(CNc2cccc(O[C@H](C)CC)n2)c1O ZINC001308911997 1066390571 /nfs/dbraw/zinc/39/05/71/1066390571.db2.gz MAZLJXLJTAUAKW-CYBMUJFWSA-N 0 0 300.402 4.139 20 10 DICDRN C[C@H](CCc1cncc2ccccc21)[NH2+]Cc1c([O-])cccc1F ZINC001308948910 1066415207 /nfs/dbraw/zinc/41/52/07/1066415207.db2.gz SIFOJNWIHLSQFX-CQSZACIVSA-N 0 0 324.399 4.190 20 10 DICDRN CN(C)c1cc(NCc2cc(F)c(F)cc2O)ccc1Cl ZINC001308949472 1066415328 /nfs/dbraw/zinc/41/53/28/1066415328.db2.gz REJVIFHYVWBRCD-UHFFFAOYSA-N 0 0 312.747 4.002 20 10 DICDRN COc1cc(C)cc(CNc2cccc(OC(C)(C)C)c2)c1O ZINC001308957208 1066418378 /nfs/dbraw/zinc/41/83/78/1066418378.db2.gz QRHCIVLZFYNOQM-UHFFFAOYSA-N 0 0 315.413 4.499 20 10 DICDRN Cc1cc(CNC(=O)OCC2CC2)c(C)n1-c1cccc(C)c1 ZINC001309751052 1066465283 /nfs/dbraw/zinc/46/52/83/1066465283.db2.gz GWUMDYYJHIOSPH-UHFFFAOYSA-N 0 0 312.413 4.039 20 10 DICDRN CCCOC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001309749032 1066465293 /nfs/dbraw/zinc/46/52/93/1066465293.db2.gz FGQRGGRQVWQOKQ-UHFFFAOYSA-N 0 0 300.402 4.039 20 10 DICDRN CC(C)[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000756356971 1066468483 /nfs/dbraw/zinc/46/84/83/1066468483.db2.gz AGHZEIZLNJOSCQ-UGSOOPFHSA-N 0 0 314.385 4.348 20 10 DICDRN Cc1cc([C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(C)s1 ZINC000756379298 1066468607 /nfs/dbraw/zinc/46/86/07/1066468607.db2.gz MUHRLYNVNKFHIS-WDEREUQCSA-N 0 0 320.414 4.391 20 10 DICDRN Cc1cc(NC(=O)N[C@@H](C)c2ccccc2O)ccc1C1CC1 ZINC001310575536 1066539649 /nfs/dbraw/zinc/53/96/49/1066539649.db2.gz XOIMRAOIVQOCDY-ZDUSSCGKSA-N 0 0 310.397 4.461 20 10 DICDRN C[C@H]1CCCC[C@@H]1CCNC(=O)NCc1cccc(Cl)c1O ZINC001311984645 1066723414 /nfs/dbraw/zinc/72/34/14/1066723414.db2.gz HKVWQQIOQWSJNH-QWHCGFSZSA-N 0 0 324.852 4.061 20 10 DICDRN C[C@H](CCC(C)(C)C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001312032427 1066728865 /nfs/dbraw/zinc/72/88/65/1066728865.db2.gz GCFZTYZNJTUAAG-HUUCEWRRSA-N 0 0 319.493 4.328 20 10 DICDRN CC(C)c1nc([C@H](C)NCc2ccc(N(C)C)c(F)c2)cs1 ZINC000076900709 185052185 /nfs/dbraw/zinc/05/21/85/185052185.db2.gz UENXPEDSOFCYBK-LBPRGKRZSA-N 0 0 321.465 4.322 20 10 DICDRN C[C@H](NCc1ccc(N2CCC(C)CC2)cc1)c1nccs1 ZINC000093406269 193245627 /nfs/dbraw/zinc/24/56/27/193245627.db2.gz VBDDSZNAFRVZOL-HNNXBMFYSA-N 0 0 315.486 4.230 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccccc1F ZINC000019950299 182169369 /nfs/dbraw/zinc/16/93/69/182169369.db2.gz WWRMKNKXBRKENR-UHFFFAOYSA-N 0 0 300.160 4.128 20 10 DICDRN COc1ccc(O)c(CNc2cc(Br)ccc2C)c1 ZINC000037091017 182866746 /nfs/dbraw/zinc/86/67/46/182866746.db2.gz PVMPAODIJOMWEO-UHFFFAOYSA-N 0 0 322.202 4.084 20 10 DICDRN CN(Cc1ccccc1O)C(=O)CCCCCc1cccs1 ZINC000067137789 184450979 /nfs/dbraw/zinc/45/09/79/184450979.db2.gz JPLQXVFQDLKEIQ-UHFFFAOYSA-N 0 0 317.454 4.215 20 10 DICDRN CC[C@H](C)[C@H](C)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000272473658 130033249 /nfs/dbraw/zinc/03/32/49/130033249.db2.gz XLRBGBLLMMYTIH-KBPBESRZSA-N 0 0 322.412 4.017 20 10 DICDRN Cc1nc(C)c(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)s1 ZINC000273580679 130140826 /nfs/dbraw/zinc/14/08/26/130140826.db2.gz MQFMWECRYAQBGV-LLVKDONJSA-N 0 0 316.470 4.195 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCCc2sccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000274344954 130228220 /nfs/dbraw/zinc/22/82/20/130228220.db2.gz DWYHMGFJOLRWIG-IINYFYTJSA-N 0 0 318.398 4.090 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccsc1 ZINC000275808616 130391092 /nfs/dbraw/zinc/39/10/92/130391092.db2.gz YDCBGGDMKKBTJK-UHFFFAOYSA-N 0 0 317.458 4.257 20 10 DICDRN CC[C@H](Nc1ccc2ccn(C)c(=O)c2c1)c1ccc(C)cc1O ZINC000284337226 131071639 /nfs/dbraw/zinc/07/16/39/131071639.db2.gz LEOXEBCMXITXGT-SFHVURJKSA-N 0 0 322.408 4.116 20 10 DICDRN Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc3c(n2)CCCC3)c(O)c1 ZINC000285039772 131133455 /nfs/dbraw/zinc/13/34/55/131133455.db2.gz IAYUYJWXYOBEHO-OAHLLOKOSA-N 0 0 310.441 4.134 20 10 DICDRN COc1ccc(N[C@@H](C)c2c(C)cc(C)cc2O)cc1OC ZINC000285443117 131168466 /nfs/dbraw/zinc/16/84/66/131168466.db2.gz ZDRGKRWPHCDNBZ-ZDUSSCGKSA-N 0 0 301.386 4.199 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)c1c(F)cncc1F)c1ccc(F)cc1[O-] ZINC000285801914 131203582 /nfs/dbraw/zinc/20/35/82/131203582.db2.gz VWZAFIIHHDKEJE-YMTOWFKASA-N 0 0 310.319 4.006 20 10 DICDRN CC[C@H]([NH2+][C@H](C)c1c(F)cncc1F)c1ccc(F)cc1[O-] ZINC000285801904 131203676 /nfs/dbraw/zinc/20/36/76/131203676.db2.gz VWZAFIIHHDKEJE-OTYXRUKQSA-N 0 0 310.319 4.006 20 10 DICDRN CC[C@H](Nc1ccc(OC)c(OC)c1)c1ccc(F)cc1O ZINC000286069023 131217934 /nfs/dbraw/zinc/21/79/34/131217934.db2.gz KZEASACHLVFOJO-AWEZNQCLSA-N 0 0 305.349 4.112 20 10 DICDRN CCc1nc([C@@H](C)[NH2+][C@H](CC)c2ccc(F)cc2[O-])cs1 ZINC000286186068 131223676 /nfs/dbraw/zinc/22/36/76/131223676.db2.gz QZKJYWDAIOXXFP-ZWNOBZJWSA-N 0 0 308.422 4.352 20 10 DICDRN CC[C@H]([NH2+]C[C@@H](C)c1nc(C)cs1)c1ccc(F)cc1[O-] ZINC000286277201 131228084 /nfs/dbraw/zinc/22/80/84/131228084.db2.gz VTMSDGDOCFQBLJ-YGRLFVJLSA-N 0 0 308.422 4.141 20 10 DICDRN COc1ccc(CN[C@H](C)c2nccn2-c2ccccc2)cc1C ZINC000287204853 131268762 /nfs/dbraw/zinc/26/87/62/131268762.db2.gz MBBVEZCHYLZUBS-MRXNPFEDSA-N 0 0 321.424 4.040 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccc(OC)c(O)c1)c1cccc(Cl)c1[O-] ZINC000287304459 131274782 /nfs/dbraw/zinc/27/47/82/131274782.db2.gz COZAVJZNYOQYHJ-CQSZACIVSA-N 0 0 321.804 4.001 20 10 DICDRN CC[C@H]([NH2+][C@H](CCO)c1ccccc1)c1cccc(Cl)c1[O-] ZINC000287554643 131287493 /nfs/dbraw/zinc/28/74/93/131287493.db2.gz FUQREIPLSZKVCM-DLBZAZTESA-N 0 0 319.832 4.210 20 10 DICDRN CC[C@@H]([NH2+]CCCc1ccccn1)c1cccc(Cl)c1[O-] ZINC000287578032 131287765 /nfs/dbraw/zinc/28/77/65/131287765.db2.gz HFBZVSUZLXLENZ-MRXNPFEDSA-N 0 0 304.821 4.114 20 10 DICDRN CC[C@H]([NH2+]CCCc1ccccn1)c1cccc(Cl)c1[O-] ZINC000287578028 131288283 /nfs/dbraw/zinc/28/82/83/131288283.db2.gz HFBZVSUZLXLENZ-INIZCTEOSA-N 0 0 304.821 4.114 20 10 DICDRN CC[C@@H]([NH2+]CCCc1nccs1)c1cccc(Cl)c1[O-] ZINC000287653974 131293310 /nfs/dbraw/zinc/29/33/10/131293310.db2.gz LHYZNZMNNANONA-CYBMUJFWSA-N 0 0 310.850 4.176 20 10 DICDRN CC[C@H](Nc1ccc(CCO)cc1)c1cccc(Cl)c1O ZINC000287742699 131297656 /nfs/dbraw/zinc/29/76/56/131297656.db2.gz PTKQWVLVDJKCOT-INIZCTEOSA-N 0 0 305.805 4.144 20 10 DICDRN COc1ccc2[nH]cc(C3=CCN(c4cc(C)ccn4)CC3)c2c1 ZINC000460411909 333081109 /nfs/dbraw/zinc/08/11/09/333081109.db2.gz KFTRVDQIOCCWEE-UHFFFAOYSA-N 0 0 319.408 4.174 20 10 DICDRN CCCC[C@@H](C)N(C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000460681254 333124355 /nfs/dbraw/zinc/12/43/55/333124355.db2.gz PSNZPXWMEJWAEV-CQSZACIVSA-N 0 0 315.461 4.207 20 10 DICDRN C[C@@H]([NH2+][C@H]1CCOc2c(Cl)cccc21)c1ccc(F)cc1[O-] ZINC000185185135 333205327 /nfs/dbraw/zinc/20/53/27/333205327.db2.gz PPFQWOFDHSLVDL-BMIGLBTASA-N 0 0 321.779 4.359 20 10 DICDRN COc1ccc(O)c([C@@H](C)Nc2nc(C(F)(F)F)cs2)c1 ZINC000301711059 336324881 /nfs/dbraw/zinc/32/48/81/336324881.db2.gz DPRPLUSCWLRMIV-SSDOTTSWSA-N 0 0 318.320 4.049 20 10 DICDRN CC(C)(C)c1cnc(Sc2ccc(C(F)(F)F)nn2)s1 ZINC000301982598 336341235 /nfs/dbraw/zinc/34/12/35/336341235.db2.gz YETDEQPZJOSRIX-UHFFFAOYSA-N 0 0 319.377 4.401 20 10 DICDRN Cc1cc(Cl)cc(CN2CCC[C@@H]2c2nccs2)c1O ZINC000375020658 337001649 /nfs/dbraw/zinc/00/16/49/337001649.db2.gz NGZSZZQYEIYUKR-CYBMUJFWSA-N 0 0 308.834 4.148 20 10 DICDRN Cc1cccc([C@H]2CCC[N@@H+]2Cc2cccc(Cl)c2[O-])n1 ZINC000180278138 337175705 /nfs/dbraw/zinc/17/57/05/337175705.db2.gz ZOLDOAJTDLAMHY-MRXNPFEDSA-N 0 0 302.805 4.086 20 10 DICDRN C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccncc1)c1ccc(F)cc1[O-] ZINC000185152429 337202337 /nfs/dbraw/zinc/20/23/37/337202337.db2.gz MZETZDZDFXTVFJ-VLIAUNLRSA-N 0 0 322.383 4.367 20 10 DICDRN C[C@H]([NH2+][C@H](c1ccccc1)c1ccncc1)c1ccc(F)cc1[O-] ZINC000185152444 337202409 /nfs/dbraw/zinc/20/24/09/337202409.db2.gz MZETZDZDFXTVFJ-VBKZILBWSA-N 0 0 322.383 4.367 20 10 DICDRN C[C@H]([NH2+]CC[C@@H]1CCCOC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000527922735 337775250 /nfs/dbraw/zinc/77/52/50/337775250.db2.gz ASUQFVWXNRPCEN-QWRGUYRKSA-N 0 0 318.244 4.166 20 10 DICDRN C[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000527922733 337775314 /nfs/dbraw/zinc/77/53/14/337775314.db2.gz ASUQFVWXNRPCEN-MNOVXSKESA-N 0 0 318.244 4.166 20 10 DICDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1c(C)cccc1C ZINC000471118053 339337638 /nfs/dbraw/zinc/33/76/38/339337638.db2.gz ZBYXGBPAYLNPBM-UHFFFAOYSA-N 0 0 321.424 4.425 20 10 DICDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1cccc(C)c1C ZINC000471123057 339337754 /nfs/dbraw/zinc/33/77/54/339337754.db2.gz ZTCPSGDGHQBOGB-UHFFFAOYSA-N 0 0 321.424 4.425 20 10 DICDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cccc(C)c1C ZINC000471224267 339340431 /nfs/dbraw/zinc/34/04/31/339340431.db2.gz NTCGVSLLHUKOIV-UHFFFAOYSA-N 0 0 306.409 4.034 20 10 DICDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cc(C)ccc1C ZINC000471226292 339340443 /nfs/dbraw/zinc/34/04/43/339340443.db2.gz CRGVAVJHZVPWPD-UHFFFAOYSA-N 0 0 306.409 4.034 20 10 DICDRN Cc1c2ccccc2n(C)c1CNC(=O)C(C)(C)C(C)(C)C ZINC000509751111 340278371 /nfs/dbraw/zinc/27/83/71/340278371.db2.gz LUOJTEFTOUZQRH-UHFFFAOYSA-N 0 0 300.446 4.175 20 10 DICDRN Cc1c2ccccc2n(C)c1CNC(=O)CCc1cccc(C)c1 ZINC000548099571 341247170 /nfs/dbraw/zinc/24/71/70/341247170.db2.gz UOLRQMWUGRODEA-UHFFFAOYSA-N 0 0 320.436 4.044 20 10 DICDRN C[C@@H]([NH2+]Cc1cccc(F)c1[O-])c1ccc(C(F)(F)F)cc1 ZINC000276629087 341658273 /nfs/dbraw/zinc/65/82/73/341658273.db2.gz IZNWTAVWSPEZGV-SNVBAGLBSA-N 0 0 313.294 4.401 20 10 DICDRN CCN(C)c1ccc([C@H](C)N[C@@H](COC)c2ccc(C)o2)cc1 ZINC000156398665 520290918 /nfs/dbraw/zinc/29/09/18/520290918.db2.gz RVJGBYCPVKPXAY-YJBOKZPZSA-N 0 0 316.445 4.082 20 10 DICDRN CCCN(C(=O)Cc1ccc(N)cc1)[C@H](CC)c1ccccc1 ZINC000269219952 521423970 /nfs/dbraw/zinc/42/39/70/521423970.db2.gz HUIVHCFBCMUNQT-LJQANCHMSA-N 0 0 310.441 4.201 20 10 DICDRN CC[C@@H](NC(=O)NCc1ccccc1O)c1ccc(Cl)s1 ZINC000265100001 522732514 /nfs/dbraw/zinc/73/25/14/522732514.db2.gz ATFXONAQZKWFEX-LLVKDONJSA-N 0 0 324.833 4.058 20 10 DICDRN CC[C@@H](Nc1cccc(NC(C)=O)c1)c1ccc(N(C)C)cc1 ZINC000182717009 522960498 /nfs/dbraw/zinc/96/04/98/522960498.db2.gz KMGWDIYSYYXNFG-LJQANCHMSA-N 0 0 311.429 4.274 20 10 DICDRN CO[C@H](C)c1nc(CN(C)c2ccc(OC(C)C)cc2)cs1 ZINC000191587866 523910396 /nfs/dbraw/zinc/91/03/96/523910396.db2.gz GBTQAJSRNLFRPC-CYBMUJFWSA-N 0 0 320.458 4.274 20 10 DICDRN COCCOc1ccc(N[C@@H](C)c2ccc(C)cc2O)cc1F ZINC000186288726 524050373 /nfs/dbraw/zinc/05/03/73/524050373.db2.gz VJDPSNOZEPOBRG-ZDUSSCGKSA-N 0 0 319.376 4.038 20 10 DICDRN Cc1cccc([C@H]2CCCCN2C(=O)Cc2ccc(N)cc2)c1C ZINC000237796788 524887857 /nfs/dbraw/zinc/88/78/57/524887857.db2.gz KXFWEDVQHMFRLD-HXUWFJFHSA-N 0 0 322.452 4.182 20 10 DICDRN C[C@H]([NH2+][C@H]1CCCc2sccc21)c1ccc(F)c(F)c1[O-] ZINC000187922715 525615014 /nfs/dbraw/zinc/61/50/14/525615014.db2.gz LHQZJEHGVJDDTG-ZANVPECISA-N 0 0 309.381 4.460 20 10 DICDRN C[C@H]([NH2+][C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000158193665 525624652 /nfs/dbraw/zinc/62/46/52/525624652.db2.gz TXJYALVZGYKANO-AXHNFQJDSA-N 0 0 315.388 4.102 20 10 DICDRN Cc1ccc([C@H](C)Nc2cccc(NC(=O)C3CC3)c2)c(O)c1 ZINC000192906744 525947676 /nfs/dbraw/zinc/94/76/76/525947676.db2.gz FXSRADXIGZSDQO-ZDUSSCGKSA-N 0 0 310.397 4.222 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000158099741 526326285 /nfs/dbraw/zinc/32/62/85/526326285.db2.gz YJTUDQTWHHFGCO-UHFFFAOYSA-N 0 0 307.743 4.256 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccc(Cl)cn1)c1cccc(Cl)c1[O-] ZINC000287628636 535805849 /nfs/dbraw/zinc/80/58/49/535805849.db2.gz KENLSKXQXUNVOR-CQSZACIVSA-N 0 0 311.212 4.335 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccc(F)c(COC)c1)c1ccc(F)cc1[O-] ZINC000286073627 535806044 /nfs/dbraw/zinc/80/60/44/535806044.db2.gz LYVIXYGBRCUDMC-QGZVFWFLSA-N 0 0 321.367 4.058 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)Cc1c(C)noc1C)c1cccc(Cl)c1[O-] ZINC000287295881 535807917 /nfs/dbraw/zinc/80/79/17/535807917.db2.gz CEQAASNUMSFBHM-MGPLVRAMSA-N 0 0 322.836 4.322 20 10 DICDRN COc1cc(C)c(N[C@H](C)c2cc(F)ccc2O)cc1OC ZINC000273529609 536606571 /nfs/dbraw/zinc/60/65/71/536606571.db2.gz WBBQNLUXMXEBMN-LLVKDONJSA-N 0 0 305.349 4.030 20 10 DICDRN CC(C)CSCCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756775865 1046131411 /nfs/dbraw/zinc/13/14/11/1046131411.db2.gz MGTQKSFMQCOLDS-LLVKDONJSA-N 0 0 303.418 4.100 20 10 DICDRN CC[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])CC(F)(F)F ZINC000840960861 1047364592 /nfs/dbraw/zinc/36/45/92/1047364592.db2.gz WHIKQWFTMYYWOY-QMMMGPOBSA-N 0 0 313.722 4.253 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)CCc2ccccc2)cc1 ZINC000728220205 1036046342 /nfs/dbraw/zinc/04/63/42/1036046342.db2.gz WRRCKZHSYJFRLC-UHFFFAOYSA-N 0 0 324.468 4.124 20 10 DICDRN Cc1ccc(NCc2cccc(Br)c2O)cc1F ZINC000042411703 1036113849 /nfs/dbraw/zinc/11/38/49/1036113849.db2.gz XHEJCSBLIDTGQH-UHFFFAOYSA-N 0 0 310.166 4.214 20 10 DICDRN Cc1cc(F)ccc1NCc1cccc(Br)c1O ZINC000042411710 1036115462 /nfs/dbraw/zinc/11/54/62/1036115462.db2.gz PKUZYXZIEWRNGP-UHFFFAOYSA-N 0 0 310.166 4.214 20 10 DICDRN CC(C)(CC(=O)NCc1cccc(Cl)c1O)CC(F)(F)F ZINC000890763130 1036229370 /nfs/dbraw/zinc/22/93/70/1036229370.db2.gz NZHDREFTENVBBU-UHFFFAOYSA-N 0 0 323.742 4.031 20 10 DICDRN c1cncc(Oc2ccc(Nc3ccc4c(c3)OCCN4)cc2)c1 ZINC001209766317 1036252201 /nfs/dbraw/zinc/25/22/01/1036252201.db2.gz NZXDFHJYNYYTPQ-UHFFFAOYSA-N 0 0 319.364 4.422 20 10 DICDRN Cc1cccc(-n2c(N)c(/N=N/c3ccccc3)ccc2=N)c1F ZINC001210035732 1036358875 /nfs/dbraw/zinc/35/88/75/1036358875.db2.gz VOEYADCOSCGVKB-OUFIHSCXSA-N 0 0 321.359 4.402 20 10 DICDRN Cc1cc(-c2nc(-c3ccc(O)c(O)c3)cs2)ccc1F ZINC000023625120 1036422905 /nfs/dbraw/zinc/42/29/05/1036422905.db2.gz LPXUAQFJEMXSFC-UHFFFAOYSA-N 0 0 301.342 4.336 20 10 DICDRN COc1ccc(NCc2cc(C)cc(Br)c2O)cc1 ZINC001648853961 1036644839 /nfs/dbraw/zinc/64/48/39/1036644839.db2.gz BSRDBPLBZVZNFC-UHFFFAOYSA-N 0 0 322.202 4.084 20 10 DICDRN Cc1nc2ccc(NCc3cc(F)cc(F)c3O)cc2s1 ZINC001648857268 1036650793 /nfs/dbraw/zinc/65/07/93/1036650793.db2.gz QQWSMDRMMADAEJ-UHFFFAOYSA-N 0 0 306.337 4.201 20 10 DICDRN C[C@H](NC(=O)CCCc1ccc(Cl)cc1)c1ccccc1O ZINC001648892378 1036676923 /nfs/dbraw/zinc/67/69/23/1036676923.db2.gz XVCOKLQPDSEDCZ-ZDUSSCGKSA-N 0 0 317.816 4.246 20 10 DICDRN C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1O ZINC001648891872 1036676937 /nfs/dbraw/zinc/67/69/37/1036676937.db2.gz IVSLUHSFMXLYMW-VIFPVBQESA-N 0 0 310.180 4.190 20 10 DICDRN C[C@@H](NC(=O)CC[C@H]1CCc2ccccc21)c1ccccc1O ZINC001648892236 1036677263 /nfs/dbraw/zinc/67/72/63/1036677263.db2.gz RWSXUHSCUBLFMG-GDBMZVCRSA-N 0 0 309.409 4.080 20 10 DICDRN Cc1oncc1Nc1ccc(Cl)cc1C(=O)c1ccccn1 ZINC001210585206 1036841968 /nfs/dbraw/zinc/84/19/68/1036841968.db2.gz MVSJJDGMSZKBTE-UHFFFAOYSA-N 0 0 313.744 4.006 20 10 DICDRN CC[C@H]([NH2+]CCc1cccc(F)c1F)c1ccc(F)cc1[O-] ZINC000796829550 1037093680 /nfs/dbraw/zinc/09/36/80/1037093680.db2.gz ZRDXGWLPLMULLE-HNNXBMFYSA-N 0 0 309.331 4.093 20 10 DICDRN Cc1c(CO)cccc1N(c1ccc(N)cc1)c1ccc(N)cc1 ZINC001211166796 1037186353 /nfs/dbraw/zinc/18/63/53/1037186353.db2.gz BGJZTTZBCLLRLI-UHFFFAOYSA-N 0 0 319.408 4.122 20 10 DICDRN Cc1occc1Nc1ccc(C(=O)Oc2ccc(N)cc2)cc1 ZINC001211243347 1037230382 /nfs/dbraw/zinc/23/03/82/1037230382.db2.gz KEMJLAFJTNVCOB-UHFFFAOYSA-N 0 0 308.337 4.133 20 10 DICDRN Cc1cc(C)cc(NCc2c(O)cccc2Br)c1 ZINC000706855205 1037502335 /nfs/dbraw/zinc/50/23/35/1037502335.db2.gz BCIXAJBGDAVTTL-UHFFFAOYSA-N 0 0 306.203 4.384 20 10 DICDRN CC[C@H]([NH2+]CC[C@H](C)CCO)c1ccc(Cl)c(Cl)c1[O-] ZINC000834829950 1037593502 /nfs/dbraw/zinc/59/35/02/1037593502.db2.gz AGMQGPBMDDDXTN-GWCFXTLKSA-N 0 0 320.260 4.148 20 10 DICDRN CCCCC[C@@H](CC)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001125534349 1037980448 /nfs/dbraw/zinc/98/04/48/1037980448.db2.gz HQGILLRSLRCCMS-OAHLLOKOSA-N 0 0 308.441 4.114 20 10 DICDRN COc1cc(Cl)cc(CNc2ccccc2SC)c1O ZINC000228668257 1038017329 /nfs/dbraw/zinc/01/73/29/1038017329.db2.gz YIBUQIHPUGHREC-UHFFFAOYSA-N 0 0 309.818 4.388 20 10 DICDRN COc1cccc(CNc2ccc(C)c(Br)c2)c1O ZINC000103881753 1038062012 /nfs/dbraw/zinc/06/20/12/1038062012.db2.gz UOYJNJOWBPMXBD-UHFFFAOYSA-N 0 0 322.202 4.084 20 10 DICDRN C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1ccc(F)c(F)c1[O-] ZINC000276871290 1038258398 /nfs/dbraw/zinc/25/83/98/1038258398.db2.gz DTMGWBAECSGYMQ-XNWIYYODSA-N 0 0 323.305 4.442 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccc(F)c(F)c1[O-] ZINC000276883757 1038265326 /nfs/dbraw/zinc/26/53/26/1038265326.db2.gz GPDLDFNYDCTESV-RFAUZJTJSA-N 0 0 307.315 4.148 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1ccc(F)c(F)c1[O-] ZINC000276933640 1038285567 /nfs/dbraw/zinc/28/55/67/1038285567.db2.gz OOIPJJWFVLZWLT-BDAKNGLRSA-N 0 0 313.294 4.360 20 10 DICDRN FC(F)c1cc(NCc2ccc(N3CCCCC3)cc2)ncn1 ZINC000892079001 1038503226 /nfs/dbraw/zinc/50/32/26/1038503226.db2.gz VORYGMPWCMCEOH-UHFFFAOYSA-N 0 0 318.371 4.017 20 10 DICDRN CS[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000230699395 1038620965 /nfs/dbraw/zinc/62/09/65/1038620965.db2.gz LDQJPLCEYDIQKG-GHMZBOCLSA-N 0 0 306.258 4.073 20 10 DICDRN CCn1c2ccc(F)cc2nc1/C(Cl)=C\c1ccc(F)nc1 ZINC000588524121 1038683057 /nfs/dbraw/zinc/68/30/57/1038683057.db2.gz ZWUNSYDEIHCEMJ-KPKJPENVSA-N 0 0 319.742 4.466 20 10 DICDRN CC(C)([NH2+]Cc1cc(Cl)cc(Br)c1[O-])C1CC1 ZINC000708055923 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COC(=O)c1ccc(NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000323949216 1038978094 /nfs/dbraw/zinc/97/80/94/1038978094.db2.gz NIWSYUONWLOUSX-UHFFFAOYSA-N 0 0 324.424 4.076 20 10 DICDRN CC(C)(C)c1nnc(NCc2ccc(N3CCCC3)cc2)s1 ZINC000178769773 1039127870 /nfs/dbraw/zinc/12/78/70/1039127870.db2.gz OWUSFZIQVHTPMA-UHFFFAOYSA-N 0 0 316.474 4.048 20 10 DICDRN Cc1ncc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)s1 ZINC000123630470 1039158784 /nfs/dbraw/zinc/15/87/84/1039158784.db2.gz VWWIDQFNOXTSHJ-AWEZNQCLSA-N 0 0 315.486 4.293 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)Nc1cscc1C ZINC000123864393 1039173598 /nfs/dbraw/zinc/17/35/98/1039173598.db2.gz DPVGMUWHNLURHG-UHFFFAOYSA-N 0 0 304.415 4.206 20 10 DICDRN Cc1cc(N(c2ccc(N)cc2)c2ccc(N)cc2)ccc1CO ZINC001211588472 1039380404 /nfs/dbraw/zinc/38/04/04/1039380404.db2.gz RGZKHGTXLKGXIR-UHFFFAOYSA-N 0 0 319.408 4.122 20 10 DICDRN CC[C@H](CN(Cc1cccs1)c1ccc(OC)cc1)OC ZINC001167674361 1039638925 /nfs/dbraw/zinc/63/89/25/1039638925.db2.gz KKROLSYMFXEXTK-OAHLLOKOSA-N 0 0 305.443 4.188 20 10 DICDRN C[C@@H](Sc1nccs1)C(=O)Nc1ccc2ccccc2c1 ZINC000052913833 1039652491 /nfs/dbraw/zinc/65/24/91/1039652491.db2.gz ZSEBZKNGCKTKEZ-LLVKDONJSA-N 0 0 314.435 4.416 20 10 DICDRN Cn1cc(NC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cn1 ZINC000255597548 1039826792 /nfs/dbraw/zinc/82/67/92/1039826792.db2.gz RIDHFBQMOLYJEL-UHFFFAOYSA-N 0 0 320.356 4.480 20 10 DICDRN COc1ccc(F)cc1[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000170789368 1039826943 /nfs/dbraw/zinc/82/69/43/1039826943.db2.gz WKBVWMVHERSIHN-GHMZBOCLSA-N 0 0 307.340 4.091 20 10 DICDRN C[C@@H](Sc1ncc(Cl)s1)c1nc(C(C)(C)C)no1 ZINC000849999411 1039996730 /nfs/dbraw/zinc/99/67/30/1039996730.db2.gz QVVQAISYKRWBDG-ZCFIWIBFSA-N 0 0 303.840 4.330 20 10 DICDRN CC(C)CCc1noc(CSc2ncc(Cl)s2)n1 ZINC000849999727 1040001221 /nfs/dbraw/zinc/00/12/21/1040001221.db2.gz WTYLIOJQNMRXFY-UHFFFAOYSA-N 0 0 303.840 4.060 20 10 DICDRN COc1ccc(CC[NH2+][C@H](C)c2ccc3ccccc3c2O)cc1 ZINC000324132681 1040051864 /nfs/dbraw/zinc/05/18/64/1040051864.db2.gz IRZHVTLGKDMBEA-OAHLLOKOSA-N 0 0 321.420 4.447 20 10 DICDRN Nc1ccc(NC(=O)/C=C\c2cccc(OC3CCCC3)c2)cc1 ZINC000255683780 1040400911 /nfs/dbraw/zinc/40/09/11/1040400911.db2.gz TTWBAWJFYMNWAX-JYRVWZFOSA-N 0 0 322.408 4.242 20 10 DICDRN C[N@H+](Cc1ccccc1O)Cc1ccc(-c2ccncc2)cc1F ZINC000091956527 1040451701 /nfs/dbraw/zinc/45/17/01/1040451701.db2.gz PPKFLYGBGSAFMA-UHFFFAOYSA-N 0 0 322.383 4.225 20 10 DICDRN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)NC1CCOCC1 ZINC000095351903 1040471391 /nfs/dbraw/zinc/47/13/91/1040471391.db2.gz QOJNUDMFSVIWDI-QURGRASLSA-N 0 0 324.384 4.403 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)c2ccc(C)cn2)cc1 ZINC000809346923 1041135801 /nfs/dbraw/zinc/13/58/01/1041135801.db2.gz WDQFNWMLDMQFOG-UHFFFAOYSA-N 0 0 319.408 4.074 20 10 DICDRN Cc1ncc(/C=C/C(=O)N(C)c2ccccc2C(C)C)s1 ZINC000809389956 1041147700 /nfs/dbraw/zinc/14/77/00/1041147700.db2.gz YHRPIJQUTJOBJD-MDZDMXLPSA-N 0 0 300.427 4.251 20 10 DICDRN c1nc2cc(NCc3ccc(N4CCCCC4)cc3)ccc2[nH]1 ZINC000809423369 1041153568 /nfs/dbraw/zinc/15/35/68/1041153568.db2.gz OHSFCICHSFNRMT-UHFFFAOYSA-N 0 0 306.413 4.165 20 10 DICDRN Cc1cc(CCNC(=O)[C@H]2CCC2(C)C)c(C)n1-c1ccccc1 ZINC001131785027 1041201317 /nfs/dbraw/zinc/20/13/17/1041201317.db2.gz HQXAMNCQWYMYAH-LJQANCHMSA-N 0 0 324.468 4.189 20 10 DICDRN COc1cccc(O)c1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000809695101 1041214405 /nfs/dbraw/zinc/21/44/05/1041214405.db2.gz YUUFGDQEYACTRM-LMMKCTJWSA-N 0 0 323.436 4.169 20 10 DICDRN CCN(Cc1cc(F)cc(C(C)=O)c1O)c1cc(C)cc(C)c1 ZINC001167706507 1041223634 /nfs/dbraw/zinc/22/36/34/1041223634.db2.gz WBKLBAYZRACYFQ-UHFFFAOYSA-N 0 0 315.388 4.377 20 10 DICDRN C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1cc(F)ccc1O ZINC000176986945 1041228882 /nfs/dbraw/zinc/22/88/82/1041228882.db2.gz OBFLRSDVNZABTQ-JTQLQIEISA-N 0 0 313.294 4.401 20 10 DICDRN COc1ccc(F)cc1[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000176984811 1041229294 /nfs/dbraw/zinc/22/92/94/1041229294.db2.gz KOWIOKZIHQWSDE-GHMZBOCLSA-N 0 0 307.340 4.091 20 10 DICDRN CCc1nc2cc(N[C@@H](C)c3cc(F)ccc3O)ccc2o1 ZINC000176986007 1041229489 /nfs/dbraw/zinc/22/94/89/1041229489.db2.gz NEIUATALYVJPLT-JTQLQIEISA-N 0 0 300.333 4.408 20 10 DICDRN C[C@H](Nc1ccc(N2CCCC2)c(F)c1)c1cc(F)ccc1O ZINC000176985900 1041229842 /nfs/dbraw/zinc/22/98/42/1041229842.db2.gz GDGWWFKONOGIGL-LBPRGKRZSA-N 0 0 318.367 4.444 20 10 DICDRN CC[C@H](CSC)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809766786 1041235115 /nfs/dbraw/zinc/23/51/15/1041235115.db2.gz AUJCFEHIYWWPMA-LLVKDONJSA-N 0 0 308.274 4.272 20 10 DICDRN Cc1ccc(F)cc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809775381 1041238248 /nfs/dbraw/zinc/23/82/48/1041238248.db2.gz AHSRSSMHRRUJMW-UHFFFAOYSA-N 0 0 314.187 4.436 20 10 DICDRN Cc1ccc(F)c(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000809776015 1041238751 /nfs/dbraw/zinc/23/87/51/1041238751.db2.gz PPUXYSRIIDRAGG-UHFFFAOYSA-N 0 0 314.187 4.436 20 10 DICDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C1CCSCC1 ZINC000809776200 1041238793 /nfs/dbraw/zinc/23/87/93/1041238793.db2.gz YMBFKEGHURMOOR-SECBINFHSA-N 0 0 320.285 4.320 20 10 DICDRN C[C@@H](Oc1ccc(N)cc1)c1cccc(Br)c1F ZINC001218336802 1041259753 /nfs/dbraw/zinc/25/97/53/1041259753.db2.gz SLMVQYXMURYYGW-SECBINFHSA-N 0 0 310.166 4.310 20 10 DICDRN Cc1ncsc1CSc1ncc(-c2ccccc2)n1C ZINC000809952075 1041284810 /nfs/dbraw/zinc/28/48/10/1041284810.db2.gz OYBCMKIYLOWWTQ-UHFFFAOYSA-N 0 0 301.440 4.144 20 10 DICDRN CN(C)c1ccc(OCc2ncc(-c3ccc(F)cc3)o2)cc1 ZINC000810001986 1041295318 /nfs/dbraw/zinc/29/53/18/1041295318.db2.gz PHYXXLAWNSXPTL-UHFFFAOYSA-N 0 0 312.344 4.126 20 10 DICDRN Cc1cc(CNC(=O)C2CC(C)(C)C2)c(C)n1-c1cccc(C)c1 ZINC001132044590 1041303503 /nfs/dbraw/zinc/30/35/03/1041303503.db2.gz VFEPKAPSOZHDRP-UHFFFAOYSA-N 0 0 324.468 4.455 20 10 DICDRN CCOCCCC[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810211097 1041346624 /nfs/dbraw/zinc/34/66/24/1041346624.db2.gz MEVIPAXWYSYCEY-CQSZACIVSA-N 0 0 319.367 4.268 20 10 DICDRN C[C@@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc(F)cc1[O-] ZINC000810250989 1041357557 /nfs/dbraw/zinc/35/75/57/1041357557.db2.gz RQQKXJBWHCXZRK-NRXGSXMXSA-N 0 0 315.388 4.102 20 10 DICDRN CC(C)c1ccc([C@H](NC(=O)Cc2ccc(N)cc2)C(C)C)cc1 ZINC000236617162 1041365789 /nfs/dbraw/zinc/36/57/89/1041365789.db2.gz NKIRLLSMIMFSCY-OAQYLSRUSA-N 0 0 324.468 4.448 20 10 DICDRN CC/C(C)=C(\C)C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001132268071 1041386972 /nfs/dbraw/zinc/38/69/72/1041386972.db2.gz SPIUDBUKICJPJL-JQIJEIRASA-N 0 0 310.441 4.457 20 10 DICDRN C[C@@H](Cc1ccccc1Cl)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000164951839 1041402201 /nfs/dbraw/zinc/40/22/01/1041402201.db2.gz DGIYGHWQIYGDAT-NSHDSACASA-N 0 0 310.224 4.420 20 10 DICDRN FC(F)(F)c1ccccc1OCCSc1nccs1 ZINC000747614640 1041412594 /nfs/dbraw/zinc/41/25/94/1041412594.db2.gz JXCPEJLAQHSJTL-UHFFFAOYSA-N 0 0 305.346 4.333 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)c2ccccc2)cc1 ZINC000024043746 1041429438 /nfs/dbraw/zinc/42/94/38/1041429438.db2.gz ZVRIUQPXLHCIDI-UHFFFAOYSA-N 0 0 304.393 4.371 20 10 DICDRN COc1cccc(CN2CCCSc3ccc(F)cc32)c1O ZINC000811508854 1041535023 /nfs/dbraw/zinc/53/50/23/1041535023.db2.gz HPCCDEWYYYYSHE-UHFFFAOYSA-N 0 0 319.401 4.042 20 10 DICDRN Cc1cc(F)ccc1-c1nc(-c2ccc(O)c(O)c2)cs1 ZINC000811633867 1041547118 /nfs/dbraw/zinc/54/71/18/1041547118.db2.gz VFQCULKPRFPLES-UHFFFAOYSA-N 0 0 301.342 4.336 20 10 DICDRN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2ncc(C(C)(C)C)o2)c1 ZINC000182436069 1041568000 /nfs/dbraw/zinc/56/80/00/1041568000.db2.gz DFGFNGXLWWZIQW-NEPJUHHUSA-N 0 0 318.417 4.098 20 10 DICDRN COc1ccc(O)c([C@H](C)N[C@H](C)c2ncc(C(C)(C)C)o2)c1 ZINC000182436090 1041568731 /nfs/dbraw/zinc/56/87/31/1041568731.db2.gz DFGFNGXLWWZIQW-NWDGAFQWSA-N 0 0 318.417 4.098 20 10 DICDRN Cc1cc(C(F)(F)F)ncc1NCc1ccc(N(C)C)cc1 ZINC000811839702 1041573154 /nfs/dbraw/zinc/57/31/54/1041573154.db2.gz BTOJLASJWKRYHK-UHFFFAOYSA-N 0 0 309.335 4.087 20 10 DICDRN CC(=O)N1Cc2ccc(N[C@@H](C)c3ccc(C)c(C)c3O)cc2C1 ZINC000363861406 1041584298 /nfs/dbraw/zinc/58/42/98/1041584298.db2.gz WONQHDSEAILDEX-AWEZNQCLSA-N 0 0 324.424 4.044 20 10 DICDRN CN1C(=O)/C(=C\c2ccc(C3CCCC3)cc2)SC1=S ZINC000812218181 1041599814 /nfs/dbraw/zinc/59/98/14/1041599814.db2.gz IZTJWMPEGBENMC-GXDHUFHOSA-N 0 0 303.452 4.175 20 10 DICDRN CN1C(=O)/C(=C/c2ccc(C3CCCC3)cc2)SC1=S ZINC000812218182 1041600298 /nfs/dbraw/zinc/60/02/98/1041600298.db2.gz IZTJWMPEGBENMC-UVTDQMKNSA-N 0 0 303.452 4.175 20 10 DICDRN CCN(CC)[C@@H](C[NH2+][C@@H](C)c1ccc(C)cc1O)c1ccco1 ZINC000185228025 1041609326 /nfs/dbraw/zinc/60/93/26/1041609326.db2.gz UHZIUWIODGJERG-RDJZCZTQSA-N 0 0 316.445 4.027 20 10 DICDRN C[C@H]([NH2+][C@@H]1CSCc2ccccc21)c1ccc(F)cc1[O-] ZINC000756487199 1041611009 /nfs/dbraw/zinc/61/10/09/1041611009.db2.gz IKBLTCZRZXZKIG-MEDUHNTESA-N 0 0 303.402 4.170 20 10 DICDRN Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000185435332 1041613279 /nfs/dbraw/zinc/61/32/79/1041613279.db2.gz HDGISICOWFCAHZ-MGPUTAFESA-N 0 0 321.420 4.238 20 10 DICDRN Cc1cc(Cl)cnc1NCc1c(O)ccc(Cl)c1F ZINC000812345489 1041618330 /nfs/dbraw/zinc/61/83/30/1041618330.db2.gz AQWHEFZQVHWIJS-UHFFFAOYSA-N 0 0 301.148 4.154 20 10 DICDRN CCOCCC1(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CCCC1 ZINC000185748423 1041620261 /nfs/dbraw/zinc/62/02/61/1041620261.db2.gz RZIPTGWJLFHOFB-AWEZNQCLSA-N 0 0 309.425 4.169 20 10 DICDRN CC(C)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000828576645 1041625408 /nfs/dbraw/zinc/62/54/08/1041625408.db2.gz QNCRQXVXJKSSAF-INIZCTEOSA-N 0 0 316.470 4.477 20 10 DICDRN CCOc1ccc(OC)cc1N[C@@H](C)c1ccc(F)cc1O ZINC000186443710 1041631028 /nfs/dbraw/zinc/63/10/28/1041631028.db2.gz PXTRBHWYAPBPNX-NSHDSACASA-N 0 0 305.349 4.112 20 10 DICDRN Cc1cc(Cl)cnc1NCc1cc(Cl)cc(F)c1O ZINC000812785111 1041646673 /nfs/dbraw/zinc/64/66/73/1041646673.db2.gz UWPCCNBBZXQKFP-UHFFFAOYSA-N 0 0 301.148 4.154 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC[C@@H]2CC[C@@H]3C[C@@H]32)cc1 ZINC001133594036 1041673604 /nfs/dbraw/zinc/67/36/04/1041673604.db2.gz CTODIAKUMHDLGP-ILZDJORESA-N 0 0 322.452 4.260 20 10 DICDRN COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc3cc(F)ccc3o2)c1 ZINC000813330774 1041697751 /nfs/dbraw/zinc/69/77/51/1041697751.db2.gz HFCRVPDNDQXVIG-LLVKDONJSA-N 0 0 315.344 4.137 20 10 DICDRN CCOc1ccc(CNc2cccc(-c3ncco3)c2C)c(O)c1 ZINC000813784135 1041731267 /nfs/dbraw/zinc/73/12/67/1041731267.db2.gz SJZACXOXMAAAIQ-UHFFFAOYSA-N 0 0 324.380 4.366 20 10 DICDRN CCN(C(=O)/C=C/c1ccc(Cl)nc1)c1ccccc1Cl ZINC000759790502 1041735213 /nfs/dbraw/zinc/73/52/13/1041735213.db2.gz PHPYNHAFEMAICG-CSKARUKUSA-N 0 0 321.207 4.455 20 10 DICDRN COc1ccc(C[NH2+]Cc2cc(Cl)sc2Cl)c(O)c1 ZINC000312753735 1041781039 /nfs/dbraw/zinc/78/10/39/1041781039.db2.gz ZUGKWIGHFSMFJU-UHFFFAOYSA-N 0 0 318.225 4.059 20 10 DICDRN O=C1/C(=C\c2ccsc2Cl)SC(=S)N1C1CCC1 ZINC000814185230 1041787887 /nfs/dbraw/zinc/78/78/87/1041787887.db2.gz BVPIRMBBDUDBGI-RMKNXTFCSA-N 0 0 315.872 4.155 20 10 DICDRN CSc1ccc(/C=C2\SC(=S)N(C3CCC3)C2=O)cc1 ZINC000814186314 1041787997 /nfs/dbraw/zinc/78/79/97/1041787997.db2.gz XXUAYKJCSHPCMB-LCYFTJDESA-N 0 0 321.492 4.162 20 10 DICDRN O=C1/C(=C/c2ccccc2C2CC2)SC(=S)N1C1CCC1 ZINC000814185966 1041788174 /nfs/dbraw/zinc/78/81/74/1041788174.db2.gz SESBHYRUMCLGAN-GDNBJRDFSA-N 0 0 315.463 4.318 20 10 DICDRN O=C1/C(=C\c2cc(Cl)cs2)SC(=S)N1C1CCC1 ZINC000814185200 1041788427 /nfs/dbraw/zinc/78/84/27/1041788427.db2.gz BNMYLKYBJQZSOL-BJMVGYQFSA-N 0 0 315.872 4.155 20 10 DICDRN O=C(/C=C\c1ccc(Cl)nc1)N(CC(F)F)c1ccccc1 ZINC000759893189 1041797212 /nfs/dbraw/zinc/79/72/12/1041797212.db2.gz JIEWHNNSLZPGBQ-CLFYSBASSA-N 0 0 322.742 4.047 20 10 DICDRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C\c2ccccc2)SC1=S ZINC000814294476 1041801757 /nfs/dbraw/zinc/80/17/57/1041801757.db2.gz PNTHNXAKDKJPPC-YDQJQLCKSA-N 0 0 317.479 4.467 20 10 DICDRN CC(C)Oc1ccc(N(C)Cc2noc(-c3ccccc3)n2)cc1 ZINC000759914142 1041808551 /nfs/dbraw/zinc/80/85/51/1041808551.db2.gz INDYDCHZKWKZTN-UHFFFAOYSA-N 0 0 323.396 4.160 20 10 DICDRN CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756625415 1041808609 /nfs/dbraw/zinc/80/86/09/1041808609.db2.gz KOGVTFJERGVCHY-OUAUKWLOSA-N 0 0 320.260 4.147 20 10 DICDRN COc1ccc(O)c([C@H](C)NC(=O)CCCCCC(C)C)c1 ZINC000747934697 1041809348 /nfs/dbraw/zinc/80/93/48/1041809348.db2.gz OFWRRSBVFZUVKP-AWEZNQCLSA-N 0 0 307.434 4.185 20 10 DICDRN COC[C@H]1CCN1C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000814484549 1041824533 /nfs/dbraw/zinc/82/45/33/1041824533.db2.gz IRNVMJQYEGWBSS-QGZVFWFLSA-N 0 0 324.384 4.355 20 10 DICDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)N1CCO[C@H]2C[C@H]21 ZINC000814484441 1041824932 /nfs/dbraw/zinc/82/49/32/1041824932.db2.gz FSQWGFUXKBTLLL-SJORKVTESA-N 0 0 322.368 4.107 20 10 DICDRN CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756644182 1041829814 /nfs/dbraw/zinc/82/98/14/1041829814.db2.gz ZDPWNBPRLXHKFK-NZVBXONLSA-N 0 0 315.429 4.385 20 10 DICDRN Cc1nc(C(C)(C)[NH2+]Cc2ccc(N(C)C)c(C)c2)sc1C ZINC000815071486 1041911503 /nfs/dbraw/zinc/91/15/03/1041911503.db2.gz WOKDCXUQYGRSAT-UHFFFAOYSA-N 0 0 317.502 4.159 20 10 DICDRN Cc1cccnc1[C@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)C(C)C ZINC000815069147 1041911616 /nfs/dbraw/zinc/91/16/16/1041911616.db2.gz AJNDRNHHMZPABS-LJQANCHMSA-N 0 0 311.473 4.251 20 10 DICDRN Cc1cc(CN[C@H](c2ccccc2)C(F)F)ccc1N(C)C ZINC000815121020 1041915584 /nfs/dbraw/zinc/91/55/84/1041915584.db2.gz HYXQVTZSIQVOPL-QGZVFWFLSA-N 0 0 304.384 4.157 20 10 DICDRN CCCCC[C@@H](C)CC(=O)NCc1ccc(N(C)C)cc1C ZINC001126080090 1041931515 /nfs/dbraw/zinc/93/15/15/1041931515.db2.gz LMJOTXPSNAVBJK-OAHLLOKOSA-N 0 0 304.478 4.284 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CC=CC[C@H]2C)cc1 ZINC001135025526 1041950706 /nfs/dbraw/zinc/95/07/06/1041950706.db2.gz NSEHHVOBLGYPRN-AUUYWEPGSA-N 0 0 308.425 4.179 20 10 DICDRN Cc1ccc([C@@H](C)NCc2c(F)c(F)cc(F)c2F)c(O)c1 ZINC000756739544 1041956618 /nfs/dbraw/zinc/95/66/18/1041956618.db2.gz PFLFUARUKGBBNT-SECBINFHSA-N 0 0 313.294 4.108 20 10 DICDRN CCCCOCCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815553035 1041961423 /nfs/dbraw/zinc/96/14/23/1041961423.db2.gz QFUFEKCCQKPFCS-LBPRGKRZSA-N 0 0 319.367 4.268 20 10 DICDRN C[C@H]([NH2+]Cc1ccccc1F)c1cccc(C(F)(F)F)c1[O-] ZINC000815553603 1041961482 /nfs/dbraw/zinc/96/14/82/1041961482.db2.gz DSKKDTDWVGIJMW-JTQLQIEISA-N 0 0 313.294 4.401 20 10 DICDRN C[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815556451 1041961767 /nfs/dbraw/zinc/96/17/67/1041961767.db2.gz VRPJHSBXFKAAJU-QWRGUYRKSA-N 0 0 313.319 4.286 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)Cc1ccco1)c1cccc(C(F)(F)F)c1[O-] ZINC000815556452 1041961977 /nfs/dbraw/zinc/96/19/77/1041961977.db2.gz VRPJHSBXFKAAJU-WDEREUQCSA-N 0 0 313.319 4.286 20 10 DICDRN Cc1ccc(CC[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])o1 ZINC000815559173 1041962549 /nfs/dbraw/zinc/96/25/49/1041962549.db2.gz ZMVOBIZIZTXXON-LLVKDONJSA-N 0 0 313.319 4.206 20 10 DICDRN C[C@H]([NH2+]CCc1ccsc1)c1cccc(C(F)(F)F)c1[O-] ZINC000815555617 1041962633 /nfs/dbraw/zinc/96/26/33/1041962633.db2.gz CZYNADJRWNHZGW-JTQLQIEISA-N 0 0 315.360 4.366 20 10 DICDRN CSCCCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815582118 1041966838 /nfs/dbraw/zinc/96/68/38/1041966838.db2.gz YIYHOFHEBYJXOB-JTQLQIEISA-N 0 0 307.381 4.205 20 10 DICDRN CSCC[C@@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815582180 1041967135 /nfs/dbraw/zinc/96/71/35/1041967135.db2.gz ZMHSEMBLLJDBLV-ZJUUUORDSA-N 0 0 307.381 4.203 20 10 DICDRN C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815598382 1041970328 /nfs/dbraw/zinc/97/03/28/1041970328.db2.gz UCFPELNKAHUBPE-QWRGUYRKSA-N 0 0 317.351 4.019 20 10 DICDRN Cc1cnccc1CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815597772 1041970879 /nfs/dbraw/zinc/97/08/79/1041970879.db2.gz FYJRJWHZRWXLNC-GFCCVEGCSA-N 0 0 324.346 4.008 20 10 DICDRN C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1)c1cc(F)cc(F)c1[O-] ZINC000815632545 1041978231 /nfs/dbraw/zinc/97/82/31/1041978231.db2.gz QHNKGFPHDXXXCM-IXPVHAAZSA-N 0 0 321.342 4.406 20 10 DICDRN COC1(CC[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])CCC1 ZINC000815641691 1041982708 /nfs/dbraw/zinc/98/27/08/1041982708.db2.gz FQPWTZJEELTZJL-JTQLQIEISA-N 0 0 318.244 4.309 20 10 DICDRN CCc1noc(C)c1C[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000815640653 1041983496 /nfs/dbraw/zinc/98/34/96/1041983496.db2.gz CNVIOEIIBVVBOU-CQSZACIVSA-N 0 0 308.809 4.145 20 10 DICDRN CC(C)C1([NH2+][C@H](C)c2cc(Br)cc(F)c2[O-])CC1 ZINC000815647371 1041984811 /nfs/dbraw/zinc/98/48/11/1041984811.db2.gz IIODZVBUQDIFBG-SECBINFHSA-N 0 0 316.214 4.133 20 10 DICDRN CC[C@H]([NH2+]C[C@H](OC)C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000815651631 1041985185 /nfs/dbraw/zinc/98/51/85/1041985185.db2.gz YNPVQPGDQNRBOG-STQMWFEESA-N 0 0 318.244 4.165 20 10 DICDRN CC[C@@H]([NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-])C(C)(C)O ZINC000815652345 1041985381 /nfs/dbraw/zinc/98/53/81/1041985381.db2.gz YVIQRYZGPIJKEL-QWHCGFSZSA-N 0 0 320.260 4.289 20 10 DICDRN CC[C@@H]([NH2+][C@@H](CC)C(C)(C)O)c1cc(Cl)cc(Cl)c1[O-] ZINC000815652344 1041985522 /nfs/dbraw/zinc/98/55/22/1041985522.db2.gz YVIQRYZGPIJKEL-OLZOCXBDSA-N 0 0 320.260 4.289 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC001135513105 1042042447 /nfs/dbraw/zinc/04/24/47/1042042447.db2.gz RVQBTYHCSOOIKE-SWLSCSKDSA-N 0 0 316.470 4.464 20 10 DICDRN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccc(F)cc1F ZINC000816531547 1042061436 /nfs/dbraw/zinc/06/14/36/1042061436.db2.gz VRGZHKOYCKDBEE-QMMMGPOBSA-N 0 0 315.722 4.314 20 10 DICDRN CCc1cnc(CN(C)Cc2ccc3ccccc3c2O)s1 ZINC000816516365 1042061763 /nfs/dbraw/zinc/06/17/63/1042061763.db2.gz CPSWYHRIBABMGJ-UHFFFAOYSA-N 0 0 312.438 4.196 20 10 DICDRN C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816508278 1042062279 /nfs/dbraw/zinc/06/22/79/1042062279.db2.gz HXMGJZYMGXRACZ-JTQLQIEISA-N 0 0 309.768 4.083 20 10 DICDRN CCOc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816531344 1042062457 /nfs/dbraw/zinc/06/24/57/1042062457.db2.gz OVCFKSJFXNKHFR-LLVKDONJSA-N 0 0 323.795 4.434 20 10 DICDRN CC(=O)Nc1ccc(NCc2ccc3ccccc3c2O)cc1 ZINC000816523922 1042064263 /nfs/dbraw/zinc/06/42/63/1042064263.db2.gz JNEXOWPQACSILN-UHFFFAOYSA-N 0 0 306.365 4.116 20 10 DICDRN Cc1cccc2c1CC[C@@H]2[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816548070 1042064826 /nfs/dbraw/zinc/06/48/26/1042064826.db2.gz SSIJFTOZEFJABC-INIZCTEOSA-N 0 0 305.780 4.270 20 10 DICDRN Cc1c(NCc2cc(Cl)c(F)cc2O)cccc1N(C)C ZINC000816528496 1042065815 /nfs/dbraw/zinc/06/58/15/1042065815.db2.gz FQLRCMPAWQRKGK-UHFFFAOYSA-N 0 0 308.784 4.171 20 10 DICDRN CC(=O)Nc1cc(NCc2cc(Cl)c(F)cc2O)ccc1C ZINC000816523724 1042065941 /nfs/dbraw/zinc/06/59/41/1042065941.db2.gz BUUUXWLAISYMOS-UHFFFAOYSA-N 0 0 322.767 4.064 20 10 DICDRN COC(=O)Nc1cccc(NCc2ccc3ccccc3c2O)c1 ZINC000816523583 1042066304 /nfs/dbraw/zinc/06/63/04/1042066304.db2.gz WJDAREPHYHAKIL-UHFFFAOYSA-N 0 0 322.364 4.336 20 10 DICDRN COc1ccccc1[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816528472 1042066455 /nfs/dbraw/zinc/06/64/55/1042066455.db2.gz DSUXJFRIBSHDGI-JTQLQIEISA-N 0 0 309.768 4.044 20 10 DICDRN Cc1nc(Cl)ccc1NCc1cc(Cl)c(F)cc1O ZINC000816594032 1042067246 /nfs/dbraw/zinc/06/72/46/1042067246.db2.gz MUSUOYRZPWABHR-UHFFFAOYSA-N 0 0 301.148 4.154 20 10 DICDRN CC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1c(C)noc1C ZINC000816559158 1042067909 /nfs/dbraw/zinc/06/79/09/1042067909.db2.gz ZXGXREUGHXMMIH-CYBMUJFWSA-N 0 0 312.772 4.030 20 10 DICDRN CSCCCCCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816567986 1042068880 /nfs/dbraw/zinc/06/88/80/1042068880.db2.gz RDCWVUJKDJIZHE-UHFFFAOYSA-N 0 0 305.846 4.198 20 10 DICDRN C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816569818 1042069933 /nfs/dbraw/zinc/06/99/33/1042069933.db2.gz XQQDUDUJVRSJTP-MEDUHNTESA-N 0 0 320.795 4.163 20 10 DICDRN CCC[N@H+](CCc1ccccn1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816610392 1042072664 /nfs/dbraw/zinc/07/26/64/1042072664.db2.gz JBSDGYBJWNWKNA-UHFFFAOYSA-N 0 0 322.811 4.034 20 10 DICDRN CC[C@@H](c1ccncc1)[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816612876 1042073097 /nfs/dbraw/zinc/07/30/97/1042073097.db2.gz ZWTNZJPLPGBTIB-HNNXBMFYSA-N 0 0 308.784 4.163 20 10 DICDRN Cc1cc(Cl)cc(CN2CC(C)(C)[C@@H]2c2ccncc2)c1O ZINC000816622226 1042074401 /nfs/dbraw/zinc/07/44/01/1042074401.db2.gz ZTAPPAOCGHWBAX-KRWDZBQOSA-N 0 0 316.832 4.332 20 10 DICDRN CCCOc1ccc(Nc2ccc3c(c2)CCN3)c(F)c1F ZINC001159522627 1042080475 /nfs/dbraw/zinc/08/04/75/1042080475.db2.gz LTIJWZHGPJLNJF-UHFFFAOYSA-N 0 0 304.340 4.465 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C)C2CCCC2)cc1 ZINC001135733192 1042087182 /nfs/dbraw/zinc/08/71/82/1042087182.db2.gz XHCQIWHVPAAICM-INIZCTEOSA-N 0 0 316.489 4.318 20 10 DICDRN Cc1cc(COc2ccc(N3CCCCC3)c(Cl)c2)no1 ZINC000817380951 1042104523 /nfs/dbraw/zinc/10/45/23/1042104523.db2.gz AKSPOAILRSIBFX-UHFFFAOYSA-N 0 0 306.793 4.206 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)/C(F)=C(\C)C2CC2)cc1 ZINC001135946332 1042115362 /nfs/dbraw/zinc/11/53/62/1042115362.db2.gz OKJVKZGJLQTVAZ-JXAWBTAJSA-N 0 0 318.436 4.145 20 10 DICDRN CC[C@H]([NH2+]Cc1cc(C)nc(C)c1)c1cccc(Cl)c1[O-] ZINC000817588458 1042118392 /nfs/dbraw/zinc/11/83/92/1042118392.db2.gz FUJDCMZCSSEDRC-INIZCTEOSA-N 0 0 304.821 4.298 20 10 DICDRN CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])CCO1 ZINC000817586075 1042118594 /nfs/dbraw/zinc/11/85/94/1042118594.db2.gz LNAFWUYZCWYSFF-GARJFASQSA-N 0 0 318.244 4.307 20 10 DICDRN CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])CCO1 ZINC000817586254 1042118962 /nfs/dbraw/zinc/11/89/62/1042118962.db2.gz MZCLAPIZFTVJAU-OUAUKWLOSA-N 0 0 318.244 4.307 20 10 DICDRN CN(Cc1ccccc1O)C(=O)c1sccc1-c1ccccc1 ZINC000053914604 1042128081 /nfs/dbraw/zinc/12/80/81/1042128081.db2.gz JOAWWXCFHIJMLO-UHFFFAOYSA-N 0 0 323.417 4.393 20 10 DICDRN CC(C)c1ccc([C@H](N)C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000817953961 1042131538 /nfs/dbraw/zinc/13/15/38/1042131538.db2.gz SYSHXWYFAOAPNS-SCLBCKFNSA-N 0 0 316.420 4.005 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc2c(c1)CCCN2)c1ccc(F)cc1[O-] ZINC000817977896 1042135152 /nfs/dbraw/zinc/13/51/52/1042135152.db2.gz RFSBDMQMSICWDY-KRWDZBQOSA-N 0 0 314.404 4.130 20 10 DICDRN CCOc1cccc(CNc2ccc(Cl)cc2COC)c1O ZINC000818236701 1042144878 /nfs/dbraw/zinc/14/48/78/1042144878.db2.gz SWWGEFRPLMXVSR-UHFFFAOYSA-N 0 0 321.804 4.203 20 10 DICDRN C[C@](O)(CNc1ccc(Nc2ccccc2)cc1)C(F)(F)F ZINC000819395244 1042180045 /nfs/dbraw/zinc/18/00/45/1042180045.db2.gz HVELJWXESFXCAV-HNNXBMFYSA-N 0 0 310.319 4.155 20 10 DICDRN CCC(CC)N(CC(C)C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820582115 1042221954 /nfs/dbraw/zinc/22/19/54/1042221954.db2.gz XYLRMYXUSZUSIL-UHFFFAOYSA-N 0 0 318.421 4.136 20 10 DICDRN CCOc1ccc(N[C@@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000317609835 1042233773 /nfs/dbraw/zinc/23/37/73/1042233773.db2.gz USSSJGSJODBPGS-ZDUSSCGKSA-N 0 0 302.393 4.464 20 10 DICDRN CC(C)(C[NH2+]Cc1cc(Cl)c(F)cc1[O-])CC(F)(F)F ZINC000827979680 1042242454 /nfs/dbraw/zinc/24/24/54/1042242454.db2.gz CRZPLAREIJQOTB-UHFFFAOYSA-N 0 0 313.722 4.253 20 10 DICDRN CC(C)=C(C)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC001136446809 1042251696 /nfs/dbraw/zinc/25/16/96/1042251696.db2.gz WBAGQWULTROKAQ-UHFFFAOYSA-N 0 0 314.473 4.428 20 10 DICDRN CC[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)c1ccc(F)cc1[O-] ZINC000796985773 1042256301 /nfs/dbraw/zinc/25/63/01/1042256301.db2.gz SIPAVGHWGYVSLI-RISCZKNCSA-N 0 0 301.352 4.398 20 10 DICDRN C[C@H](Nc1cccc(Br)c1)c1cc(F)ccc1O ZINC000094616709 1042265168 /nfs/dbraw/zinc/26/51/68/1042265168.db2.gz FVAXQZZHLOSSHQ-VIFPVBQESA-N 0 0 310.166 4.467 20 10 DICDRN Cc1nc([C@@H](C)NCc2ccc(N3CCCC3)cc2)c(C)s1 ZINC000772868071 1042318641 /nfs/dbraw/zinc/31/86/41/1042318641.db2.gz MEBVPXWBRPEUOL-CYBMUJFWSA-N 0 0 315.486 4.211 20 10 DICDRN Cc1nc([C@H](C)NCc2ccc(N3CCCC3)cc2)c(C)s1 ZINC000772868076 1042318758 /nfs/dbraw/zinc/31/87/58/1042318758.db2.gz MEBVPXWBRPEUOL-ZDUSSCGKSA-N 0 0 315.486 4.211 20 10 DICDRN COc1ccc(N(C)CCO[C@@H]2CCCC[C@@H]2C)cc1Cl ZINC001167881482 1042327427 /nfs/dbraw/zinc/32/74/27/1042327427.db2.gz NCQBZAKIYWFURS-XJKSGUPXSA-N 0 0 311.853 4.380 20 10 DICDRN COc1ccc(N(C)CCO[C@@H]2CCCC[C@H]2C)cc1Cl ZINC001167881481 1042327767 /nfs/dbraw/zinc/32/77/67/1042327767.db2.gz NCQBZAKIYWFURS-CZUORRHYSA-N 0 0 311.853 4.380 20 10 DICDRN COc1ccc(N(C)Cc2c(Cl)cncc2Cl)cc1F ZINC001167881398 1042327900 /nfs/dbraw/zinc/32/79/00/1042327900.db2.gz KWGILVFVMKNGIN-UHFFFAOYSA-N 0 0 315.175 4.173 20 10 DICDRN COc1ccc(N(CCc2ccccc2)Cc2ncc(C)o2)cc1 ZINC001167882144 1042328886 /nfs/dbraw/zinc/32/88/86/1042328886.db2.gz UWHSFBKKNPJZKS-UHFFFAOYSA-N 0 0 322.408 4.241 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCC(C)(C)C2)cc1F ZINC001136729695 1042329253 /nfs/dbraw/zinc/32/92/53/1042329253.db2.gz LTDZHSPOXHCUCE-HNNXBMFYSA-N 0 0 320.452 4.114 20 10 DICDRN C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1ccccn1 ZINC000279838897 1042346345 /nfs/dbraw/zinc/34/63/45/1042346345.db2.gz HLYWZVCKMSSXPV-GFCCVEGCSA-N 0 0 323.362 4.017 20 10 DICDRN COc1cc(C)cc(Nc2ccccc2C(=O)c2ccncc2)c1 ZINC001211733249 1042403654 /nfs/dbraw/zinc/40/36/54/1042403654.db2.gz JWOKNFFSZHGOJK-UHFFFAOYSA-N 0 0 318.376 4.373 20 10 DICDRN CCOc1cccc(CNc2ccc(C)c3ncccc23)c1O ZINC000236936200 1042415166 /nfs/dbraw/zinc/41/51/66/1042415166.db2.gz HNTRFMNBIFQCLL-UHFFFAOYSA-N 0 0 308.381 4.260 20 10 DICDRN CCN(CC)c1ccc(C[NH2+]C2(c3ccccc3F)CC2)cc1 ZINC000236957402 1042428128 /nfs/dbraw/zinc/42/81/28/1042428128.db2.gz YAWPJCMUUOXQTF-UHFFFAOYSA-N 0 0 312.432 4.451 20 10 DICDRN CCc1cnccc1[C@@H](C)[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000796857087 1042429112 /nfs/dbraw/zinc/42/91/12/1042429112.db2.gz YYUOKVAYZZSOEG-SJKOYZFVSA-N 0 0 302.393 4.291 20 10 DICDRN Nc1ccc(F)c(Nc2ccccc2C(=O)c2ccccc2)c1 ZINC001211830691 1042496010 /nfs/dbraw/zinc/49/60/10/1042496010.db2.gz RQARMDMCENKTEC-UHFFFAOYSA-N 0 0 306.340 4.383 20 10 DICDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@H](C)CC(C)(C)C)c1 ZINC000728982192 1042501041 /nfs/dbraw/zinc/50/10/41/1042501041.db2.gz KDXAOTZOWPQBNZ-STQMWFEESA-N 0 0 307.434 4.040 20 10 DICDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H](C)CC(C)(C)C)c1 ZINC000728982189 1042501169 /nfs/dbraw/zinc/50/11/69/1042501169.db2.gz KDXAOTZOWPQBNZ-CHWSQXEVSA-N 0 0 307.434 4.040 20 10 DICDRN Nc1ccc(Cc2ccccc2Nc2cc(N)ccc2F)cc1 ZINC001211837166 1042519022 /nfs/dbraw/zinc/51/90/22/1042519022.db2.gz FIDSENFZQLYRTD-UHFFFAOYSA-N 0 0 307.372 4.325 20 10 DICDRN CC[C@H]([NH2+]C[C@H](C)c1ncc(C)s1)c1ccc(C)cc1O ZINC000280018520 1042562989 /nfs/dbraw/zinc/56/29/89/1042562989.db2.gz HFCDIHJSENMGGY-WFASDCNBSA-N 0 0 304.459 4.310 20 10 DICDRN CC[C@@H]([NH2+]C[C@H](C)c1ncc(C)s1)c1ccc(C)cc1O ZINC000280018517 1042563040 /nfs/dbraw/zinc/56/30/40/1042563040.db2.gz HFCDIHJSENMGGY-SWLSCSKDSA-N 0 0 304.459 4.310 20 10 DICDRN CC[C@H]([NH2+]C[C@H](C)c1nc(C)cs1)c1ccc(C)cc1O ZINC000280095438 1042563262 /nfs/dbraw/zinc/56/32/62/1042563262.db2.gz MSGKIRSWJFWWDB-WFASDCNBSA-N 0 0 304.459 4.310 20 10 DICDRN CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1O ZINC000271703327 1042666283 /nfs/dbraw/zinc/66/62/83/1042666283.db2.gz MXSHOCPBZYXDNZ-OAHLLOKOSA-N 0 0 320.776 4.195 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000271826514 1042669578 /nfs/dbraw/zinc/66/95/78/1042669578.db2.gz NYWDYYCRVUEGLJ-CQSZACIVSA-N 0 0 309.837 4.017 20 10 DICDRN CC[C@H](Nc1cccc(NC(C)=O)c1)c1ccc(F)cc1O ZINC000796856726 1042742623 /nfs/dbraw/zinc/74/26/23/1042742623.db2.gz SWPDRSHRYAHDRQ-INIZCTEOSA-N 0 0 302.349 4.053 20 10 DICDRN Cc1ccc2c(c1)SCCCN2C(=O)/C=C/c1cccnc1C ZINC001269978587 1042807893 /nfs/dbraw/zinc/80/78/93/1042807893.db2.gz HSCVDNMNRXMVES-VQHVLOKHSA-N 0 0 324.449 4.241 20 10 DICDRN O=C1/C(=C/c2cccs2)SC(=S)N1Cc1cccs1 ZINC000048402630 1042842952 /nfs/dbraw/zinc/84/29/52/1042842952.db2.gz RBADLEBNDNYWRY-XFFZJAGNSA-N 0 0 323.489 4.211 20 10 DICDRN Cc1ccc(/C=C2\SC(=S)N(Cc3cccs3)C2=O)o1 ZINC000048402644 1042843998 /nfs/dbraw/zinc/84/39/98/1042843998.db2.gz UTOWWNHWCCTRBE-GHXNOFRVSA-N 0 0 321.448 4.051 20 10 DICDRN C[C@H](CC1CCCC1)[NH2+]Cc1cccc(Br)c1[O-] ZINC000712557244 1042869440 /nfs/dbraw/zinc/86/94/40/1042869440.db2.gz JWGQCMPLDKWLNY-LLVKDONJSA-N 0 0 312.251 4.213 20 10 DICDRN COc1cc(C)cc(CNc2ccc3nc(C4CC4)oc3c2)c1O ZINC000894345724 1042878167 /nfs/dbraw/zinc/87/81/67/1042878167.db2.gz LRIWKEHYLDTCMW-UHFFFAOYSA-N 0 0 324.380 4.340 20 10 DICDRN CCOc1cc(F)c(CN(CC)Cc2ccccc2O)c(F)c1 ZINC001143576331 1042975176 /nfs/dbraw/zinc/97/51/76/1042975176.db2.gz YLALFGLTULFOQS-UHFFFAOYSA-N 0 0 321.367 4.091 20 10 DICDRN CCOc1ccc(N(CC)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC001167983484 1042977961 /nfs/dbraw/zinc/97/79/61/1042977961.db2.gz NBHQMPFSVHJWEN-UHFFFAOYSA-N 0 0 314.385 4.328 20 10 DICDRN CC1=C(C)C[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000843765662 1043022227 /nfs/dbraw/zinc/02/22/27/1043022227.db2.gz GIJGFRIGTWHDDR-GOSISDBHSA-N 0 0 312.457 4.040 20 10 DICDRN CC[C@H](Nc1ccc(N2CCCC2)nc1)c1ccc(C)cc1O ZINC000794815470 1043058841 /nfs/dbraw/zinc/05/88/41/1043058841.db2.gz VTORELJNMMHJOF-KRWDZBQOSA-N 0 0 311.429 4.259 20 10 DICDRN CC[C@H](Nc1ccc(OCCOC)cc1)c1ccc(C)cc1O ZINC000794813672 1043059115 /nfs/dbraw/zinc/05/91/15/1043059115.db2.gz AYFUAVRUHNOVOF-SFHVURJKSA-N 0 0 315.413 4.289 20 10 DICDRN CC[C@H]([NH2+]C[C@@H](O)c1ccccc1Cl)c1ccc(C)cc1O ZINC000794819483 1043062695 /nfs/dbraw/zinc/06/26/95/1043062695.db2.gz WVNURCFSSGZKFJ-FUHWJXTLSA-N 0 0 319.832 4.128 20 10 DICDRN C[C@H]([NH2+]Cc1cccnc1F)c1ccc(Cl)c(Cl)c1[O-] ZINC000794836539 1043080885 /nfs/dbraw/zinc/08/08/85/1043080885.db2.gz QREALKLXPHTKPI-QMMMGPOBSA-N 0 0 315.175 4.084 20 10 DICDRN CCN(C)c1ccc([C@H](C)Nc2cnn(CC(C)C)c2C)cc1 ZINC000777303687 1043091325 /nfs/dbraw/zinc/09/13/25/1043091325.db2.gz FILQLDFIVRKXAK-HNNXBMFYSA-N 0 0 314.477 4.477 20 10 DICDRN Cc1cc(N(C)C)ccc1CNCc1c(Cl)cncc1Cl ZINC000865465963 1043101805 /nfs/dbraw/zinc/10/18/05/1043101805.db2.gz MTVCIZZYHDZKFZ-UHFFFAOYSA-N 0 0 324.255 4.053 20 10 DICDRN C=Cc1ccc(CC[NH2+]Cc2c([O-])ccc(Cl)c2F)cc1 ZINC001202519320 1043124742 /nfs/dbraw/zinc/12/47/42/1043124742.db2.gz GMTDLQDIBYBTEZ-UHFFFAOYSA-N 0 0 305.780 4.160 20 10 DICDRN CN(C)c1ccc(/C=C\CNc2ccccc2OCCF)cc1 ZINC001202519722 1043133478 /nfs/dbraw/zinc/13/34/78/1043133478.db2.gz IPYQLGFHMABQRD-WAYWQWQTSA-N 0 0 314.404 4.226 20 10 DICDRN C[C@@H](Nc1cccc(C(=O)N2CCCCC2)c1)c1ccccc1O ZINC000183683834 1043169317 /nfs/dbraw/zinc/16/93/17/1043169317.db2.gz BWNLVKHNLCNDPE-OAHLLOKOSA-N 0 0 324.424 4.191 20 10 DICDRN Cc1noc(C)c1C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185136507 1043195191 /nfs/dbraw/zinc/19/51/91/1043195191.db2.gz BMGZDJSLGNOJFN-ZETCQYMHSA-N 0 0 315.200 4.155 20 10 DICDRN COCCCCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185233371 1043196437 /nfs/dbraw/zinc/19/64/37/1043196437.db2.gz BFMRTNWHIKSMHH-SNVBAGLBSA-N 0 0 306.233 4.166 20 10 DICDRN Cc1ccc(O)c([C@@H](C)N[C@@H](C)c2noc(-c3ccccc3)n2)c1 ZINC000185766694 1043206326 /nfs/dbraw/zinc/20/63/26/1043206326.db2.gz GGOONEFCLKRLKQ-KGLIPLIRSA-N 0 0 323.396 4.162 20 10 DICDRN Cc1ccc([C@@H](C)N[C@@H](C)c2noc(-c3ccccc3)n2)c(O)c1 ZINC000185767406 1043207399 /nfs/dbraw/zinc/20/73/99/1043207399.db2.gz BCOJLLQXBIQLNB-KGLIPLIRSA-N 0 0 323.396 4.162 20 10 DICDRN Cc1ccc([C@H](C)N[C@H](C)c2noc(-c3ccccc3)n2)c(O)c1 ZINC000185767461 1043207462 /nfs/dbraw/zinc/20/74/62/1043207462.db2.gz BCOJLLQXBIQLNB-UONOGXRCSA-N 0 0 323.396 4.162 20 10 DICDRN C[C@@H]([NH2+][C@H](C)C1CCOCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185783543 1043207577 /nfs/dbraw/zinc/20/75/77/1043207577.db2.gz KWPNRUWDCLFQLJ-NXEZZACHSA-N 0 0 318.244 4.165 20 10 DICDRN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1[N+](=O)[O-] ZINC000186092718 1043214221 /nfs/dbraw/zinc/21/42/21/1043214221.db2.gz PMZLRRQAKVXZQE-RYUDHWBXSA-N 0 0 318.348 4.160 20 10 DICDRN Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1[N+](=O)[O-] ZINC000186092754 1043215549 /nfs/dbraw/zinc/21/55/49/1043215549.db2.gz PMZLRRQAKVXZQE-NWDGAFQWSA-N 0 0 318.348 4.160 20 10 DICDRN CC[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000866512543 1043215613 /nfs/dbraw/zinc/21/56/13/1043215613.db2.gz MDNXTFNXMMYRSV-RRQGHBQHSA-N 0 0 323.864 4.292 20 10 DICDRN CC[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000866512541 1043215996 /nfs/dbraw/zinc/21/59/96/1043215996.db2.gz MDNXTFNXMMYRSV-COXVUDFISA-N 0 0 323.864 4.292 20 10 DICDRN CC(=O)Nc1cccc(N[C@@H](C)c2cc3c(cc2O)CCCC3)c1 ZINC000186245814 1043218751 /nfs/dbraw/zinc/21/87/51/1043218751.db2.gz BAYYOCFJCAOURN-ZDUSSCGKSA-N 0 0 324.424 4.403 20 10 DICDRN Cc1ccc(O)c([C@H](C)Nc2ccc(O[C@H]3CCOC3)cc2)c1 ZINC000186320774 1043220437 /nfs/dbraw/zinc/22/04/37/1043220437.db2.gz NIRJTHWYXZLFQY-YOEHRIQHSA-N 0 0 313.397 4.041 20 10 DICDRN COCCCOc1ccccc1N[C@@H](C)c1cc(F)ccc1O ZINC000186425389 1043224790 /nfs/dbraw/zinc/22/47/90/1043224790.db2.gz OIHCDEODPNUXDK-ZDUSSCGKSA-N 0 0 319.376 4.120 20 10 DICDRN CC[C@@H]([NH2+][C@@H](CF)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000866596373 1043227892 /nfs/dbraw/zinc/22/78/92/1043227892.db2.gz FSJWQGQTWLOJBP-CVEARBPZSA-N 0 0 309.331 4.422 20 10 DICDRN CC[C@H]([NH2+][C@H](C)c1cc2cnccc2o1)c1ccc(F)cc1[O-] ZINC000866621680 1043237527 /nfs/dbraw/zinc/23/75/27/1043237527.db2.gz UETLGUDBNVPFMP-ABAIWWIYSA-N 0 0 314.360 4.474 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCCOc2ccccc21)c1ccc(F)c(F)c1[O-] ZINC000187685411 1043248659 /nfs/dbraw/zinc/24/86/59/1043248659.db2.gz DMVKJHZFFASKRL-IAQYHMDHSA-N 0 0 319.351 4.235 20 10 DICDRN C[C@@H]([NH2+]C1(c2cccc(F)c2)CC1)c1ccc(F)c(F)c1[O-] ZINC000187860727 1043251026 /nfs/dbraw/zinc/25/10/26/1043251026.db2.gz FHJRXIDCDOXQPA-SNVBAGLBSA-N 0 0 307.315 4.149 20 10 DICDRN Cc1ccc(C[C@]2(C)CCCN2C(=O)Nc2ccc(N)cc2)cc1 ZINC000868162271 1043274191 /nfs/dbraw/zinc/27/41/91/1043274191.db2.gz GOURGSDZXDKSPZ-FQEVSTJZSA-N 0 0 323.440 4.206 20 10 DICDRN CCCNc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000193366338 1043284874 /nfs/dbraw/zinc/28/48/74/1043284874.db2.gz NAIOSCMWUHJZGB-CYBMUJFWSA-N 0 0 302.393 4.204 20 10 DICDRN Cc1c(N[C@@H](C)c2cc(F)ccc2O)cnn1C1CCCC1 ZINC000193387580 1043285116 /nfs/dbraw/zinc/28/51/16/1043285116.db2.gz QHLRYTOEEAKKRR-NSHDSACASA-N 0 0 303.381 4.324 20 10 DICDRN C[C@@H](NCc1ccc(N(C)C)cc1)c1ncc(-c2ccccc2)o1 ZINC000193552891 1043285878 /nfs/dbraw/zinc/28/58/78/1043285878.db2.gz VUQAHLCFBUDPKN-OAHLLOKOSA-N 0 0 321.424 4.258 20 10 DICDRN COC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccc(Cl)cc1 ZINC000194254187 1043290498 /nfs/dbraw/zinc/29/04/98/1043290498.db2.gz OSMNIWWJYDNETD-MEDUHNTESA-N 0 0 323.795 4.223 20 10 DICDRN COC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccc(Cl)cc1 ZINC000194254198 1043290895 /nfs/dbraw/zinc/29/08/95/1043290895.db2.gz OSMNIWWJYDNETD-BDJLRTHQSA-N 0 0 323.795 4.223 20 10 DICDRN COc1ccc(C[NH2+]Cc2cc(C)n(-c3ccccc3)c2C)cc1 ZINC000017310327 1043298775 /nfs/dbraw/zinc/29/87/75/1043298775.db2.gz FHYGLZJLJCRSEW-UHFFFAOYSA-N 0 0 320.436 4.393 20 10 DICDRN CN(C)c1ccc(C[NH2+][C@@H]2CCCc3sccc32)cc1F ZINC000122461895 1043305499 /nfs/dbraw/zinc/30/54/99/1043305499.db2.gz QGLUXNBECIEVKM-OAHLLOKOSA-N 0 0 304.434 4.120 20 10 DICDRN CCC[C@@H](CC1CCCC1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871202706 1043366924 /nfs/dbraw/zinc/36/69/24/1043366924.db2.gz LXHUATSERPHVBG-HNNXBMFYSA-N 0 0 301.430 4.231 20 10 DICDRN CC[C@@H](CC1CCCCC1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871203247 1043367747 /nfs/dbraw/zinc/36/77/47/1043367747.db2.gz VLNSNXQWJPFUAF-HNNXBMFYSA-N 0 0 301.430 4.231 20 10 DICDRN CO[C@H](C)c1nc(CNc2ccccc2NC(C)C)cs1 ZINC000871846331 1043405254 /nfs/dbraw/zinc/40/52/54/1043405254.db2.gz WTFKRTAQCYTDPP-GFCCVEGCSA-N 0 0 305.447 4.283 20 10 DICDRN CCCOc1ccc(C[NH2+]C[C@H](CC(=O)[O-])C(C)(C)C)cc1C ZINC000871877785 1043412934 /nfs/dbraw/zinc/41/29/34/1043412934.db2.gz ULOHLFWDHBBYEY-INIZCTEOSA-N 0 0 321.461 4.010 20 10 DICDRN CC[C@@H]([NH2+]Cc1ncc(Cl)s1)c1cccc(Cl)c1[O-] ZINC000872113798 1043463469 /nfs/dbraw/zinc/46/34/69/1043463469.db2.gz SWEBYTRWPZVLCW-SNVBAGLBSA-N 0 0 317.241 4.396 20 10 DICDRN CCCOc1ccc(CN[C@H](C)c2ncc(C)s2)cc1C ZINC000873072558 1043513249 /nfs/dbraw/zinc/51/32/49/1043513249.db2.gz XMSRLTLQCCUHGL-CQSZACIVSA-N 0 0 304.459 4.400 20 10 DICDRN CCCOc1ccc(CN[C@@H](C)c2c(F)cncc2F)cc1C ZINC000873127379 1043516235 /nfs/dbraw/zinc/51/62/35/1043516235.db2.gz QMYQDGSRJIRBKZ-ZDUSSCGKSA-N 0 0 320.383 4.308 20 10 DICDRN CCCOc1ccc(CN[C@H](C)c2c(F)cncc2F)cc1C ZINC000873127378 1043516288 /nfs/dbraw/zinc/51/62/88/1043516288.db2.gz QMYQDGSRJIRBKZ-CYBMUJFWSA-N 0 0 320.383 4.308 20 10 DICDRN Cc1cccc(CNc2cc(Br)ccc2C)c1O ZINC000124614446 1043558960 /nfs/dbraw/zinc/55/89/60/1043558960.db2.gz KNGTYLVLWCSQIG-UHFFFAOYSA-N 0 0 306.203 4.384 20 10 DICDRN Cc1ccc(NCc2cccc(C)c2O)cc1Br ZINC000124632980 1043559706 /nfs/dbraw/zinc/55/97/06/1043559706.db2.gz QHNWPUBWWKWYCW-UHFFFAOYSA-N 0 0 306.203 4.384 20 10 DICDRN COc1cc(C)cc(CNc2ccc(C(F)(F)F)cc2)c1O ZINC001204993043 1043567817 /nfs/dbraw/zinc/56/78/17/1043567817.db2.gz SIRRHKXCGDGBCV-UHFFFAOYSA-N 0 0 311.303 4.340 20 10 DICDRN CN(C(=O)c1ccc(N=NC(N)=O)cc1)C1CCCCCCC1 ZINC000874258686 1043576420 /nfs/dbraw/zinc/57/64/20/1043576420.db2.gz CPDILHBPKIDDTK-UHFFFAOYSA-N 0 0 316.405 4.034 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2C[C@]2(C)C(C)C)cc1 ZINC001275154090 1043580286 /nfs/dbraw/zinc/58/02/86/1043580286.db2.gz YYYPVGPOFXNGAV-AZUAARDMSA-N 0 0 310.441 4.259 20 10 DICDRN CC(C)(C)[C@@H](NC(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000875089351 1043612879 /nfs/dbraw/zinc/61/28/79/1043612879.db2.gz XSCKSFVQJUUOEH-SFHVURJKSA-N 0 0 324.424 4.205 20 10 DICDRN COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1C ZINC000926902779 1043652746 /nfs/dbraw/zinc/65/27/46/1043652746.db2.gz LAFZHQIYQBRZKD-STQMWFEESA-N 0 0 303.377 4.260 20 10 DICDRN CN(Cc1ncc(Cl)s1)Cc1ccc(N2CCCC2)cc1 ZINC001137109274 1043699425 /nfs/dbraw/zinc/69/94/25/1043699425.db2.gz ITKPAWFCRULUJG-UHFFFAOYSA-N 0 0 321.877 4.029 20 10 DICDRN CC(C)c1ccccc1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000876836872 1043717492 /nfs/dbraw/zinc/71/74/92/1043717492.db2.gz CFJKOINMDONEKU-UHFFFAOYSA-N 0 0 324.468 4.383 20 10 DICDRN Cc1cccc(O)c1CNc1cccc(-c2noc(C3CC3)n2)c1 ZINC000876868505 1043719125 /nfs/dbraw/zinc/71/91/25/1043719125.db2.gz FMCSFFMRBLBOHX-UHFFFAOYSA-N 0 0 321.380 4.240 20 10 DICDRN [O-]c1c(F)c(F)ccc1C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000876973811 1043730707 /nfs/dbraw/zinc/73/07/07/1043730707.db2.gz QHGGPXFNSQSMLD-CQSZACIVSA-N 0 0 309.743 4.101 20 10 DICDRN [O-]c1c(F)c(F)ccc1C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000877053137 1043736881 /nfs/dbraw/zinc/73/68/81/1043736881.db2.gz DPRHGNAGKQEBRD-UHFFFAOYSA-N 0 0 309.743 4.103 20 10 DICDRN CN(C(=O)C1(c2cccs2)CCCCC1)c1ccc(N)cc1 ZINC000877077613 1043740027 /nfs/dbraw/zinc/74/00/27/1043740027.db2.gz OTVXQEZWYRRPNM-UHFFFAOYSA-N 0 0 314.454 4.195 20 10 DICDRN CCN(C)c1ccc([C@@H](C)Nc2ccc3c(c2)ncn3C)cc1 ZINC000777692095 1043758248 /nfs/dbraw/zinc/75/82/48/1043758248.db2.gz AFOYCDKIQFPEHG-CQSZACIVSA-N 0 0 308.429 4.203 20 10 DICDRN C[C@@H](Nc1ccc2oc(N(C)C)nc2c1)c1ccc(N(C)C)cc1 ZINC000777693650 1043761587 /nfs/dbraw/zinc/76/15/87/1043761587.db2.gz CDCQRSNXKZCLRT-CYBMUJFWSA-N 0 0 324.428 4.133 20 10 DICDRN CSc1ccccc1[C@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877499392 1043768337 /nfs/dbraw/zinc/76/83/37/1043768337.db2.gz OZMLBOXQQIQXRP-JTQLQIEISA-N 0 0 309.381 4.243 20 10 DICDRN [O-]c1c(F)c(F)ccc1C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000877660773 1043786445 /nfs/dbraw/zinc/78/64/45/1043786445.db2.gz QRWJHVALUYVBJT-CQSZACIVSA-N 0 0 309.743 4.101 20 10 DICDRN Cc1cc(N(C)C)ccc1CN[C@H](CF)c1ccc(F)cc1 ZINC000877758713 1043795487 /nfs/dbraw/zinc/79/54/87/1043795487.db2.gz LOLLEPCTBHNXAX-GOSISDBHSA-N 0 0 304.384 4.001 20 10 DICDRN Cc1conc1CN(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000878327100 1043871454 /nfs/dbraw/zinc/87/14/54/1043871454.db2.gz XSXYKNYZBJMYHK-MRXNPFEDSA-N 0 0 322.408 4.452 20 10 DICDRN Fc1ccc(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)nc1 ZINC000561139110 1043899378 /nfs/dbraw/zinc/89/93/78/1043899378.db2.gz USZNWFLGILSYME-UHFFFAOYSA-N 0 0 311.335 4.135 20 10 DICDRN Cn1c(-c2ccccc2)cnc1SCc1ccc(Cl)cn1 ZINC000777903766 1043918261 /nfs/dbraw/zinc/91/82/61/1043918261.db2.gz FNUGNISOSNFQMR-UHFFFAOYSA-N 0 0 315.829 4.428 20 10 DICDRN CCc1ccc(NC(=O)N2Cc3cccc(O)c3C2)cc1CC ZINC000930702716 1043955996 /nfs/dbraw/zinc/95/59/96/1043955996.db2.gz CPPMKCIXYQOKIQ-UHFFFAOYSA-N 0 0 310.397 4.065 20 10 DICDRN Cc1ccccc1-c1noc([C@H](C)N[C@H](C)c2ccccc2O)n1 ZINC000879648618 1043976986 /nfs/dbraw/zinc/97/69/86/1043976986.db2.gz WMNDTSNFDIBQBP-KGLIPLIRSA-N 0 0 323.396 4.162 20 10 DICDRN Cc1ccc(-c2nnc([C@H](C)N[C@H](C)c3ccccc3O)o2)cc1 ZINC000879648742 1043978126 /nfs/dbraw/zinc/97/81/26/1043978126.db2.gz BTLYZFWWUVERKS-KGLIPLIRSA-N 0 0 323.396 4.162 20 10 DICDRN Cc1ccc(-c2nnc([C@@H](C)N[C@@H](C)c3ccccc3O)o2)cc1 ZINC000879651579 1043979754 /nfs/dbraw/zinc/97/97/54/1043979754.db2.gz BTLYZFWWUVERKS-UONOGXRCSA-N 0 0 323.396 4.162 20 10 DICDRN Oc1c(F)cc(Cl)cc1CNc1cnn(C2CCCC2)c1 ZINC000896697864 1043985763 /nfs/dbraw/zinc/98/57/63/1043985763.db2.gz RSBUYZJDTTVJII-UHFFFAOYSA-N 0 0 309.772 4.108 20 10 DICDRN COc1ccc([C@H](C)[NH2+]Cc2cccc(Cl)c2[O-])cc1C ZINC000896803397 1044010774 /nfs/dbraw/zinc/01/07/74/1044010774.db2.gz JDNWAVOPBBQAQH-LBPRGKRZSA-N 0 0 305.805 4.213 20 10 DICDRN C/C(=C\c1ccc(Cl)cc1)C(=O)N(C)Cc1ccccc1O ZINC000129609597 1044166708 /nfs/dbraw/zinc/16/67/08/1044166708.db2.gz BYANJIQELWZROB-ACCUITESSA-N 0 0 315.800 4.108 20 10 DICDRN C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4ccc(N)cc4)cc3c2C1 ZINC000212540576 1044186514 /nfs/dbraw/zinc/18/65/14/1044186514.db2.gz DLMNEJSJLQEJMK-LBPRGKRZSA-N 0 0 319.408 4.127 20 10 DICDRN CCc1cnc(CN[C@H](C)c2ccc(N(C)CC)cc2)s1 ZINC000130456463 1044204036 /nfs/dbraw/zinc/20/40/36/1044204036.db2.gz DHHKSRRQBOJYRZ-CYBMUJFWSA-N 0 0 303.475 4.012 20 10 DICDRN Oc1c(F)cc(F)cc1CNc1ccc2c(c1)[C@H](O)CCCC2 ZINC000883167128 1044226748 /nfs/dbraw/zinc/22/67/48/1044226748.db2.gz QKODMDCOXUHLBQ-QGZVFWFLSA-N 0 0 319.351 4.042 20 10 DICDRN C[C@@H](NC1(c2ncccn2)CCC1)c1ccc2ccccc2c1O ZINC000883312129 1044265114 /nfs/dbraw/zinc/26/51/14/1044265114.db2.gz UTBVXOFZHYWAMQ-CQSZACIVSA-N 0 0 319.408 4.065 20 10 DICDRN CCC(=O)N(C)c1ccc(N[C@H](CC)c2ccccc2O)cc1 ZINC000883314287 1044268391 /nfs/dbraw/zinc/26/83/91/1044268391.db2.gz AIXHGOAPCQVFPD-QGZVFWFLSA-N 0 0 312.413 4.328 20 10 DICDRN COc1ccc(N[C@@H](C)c2cc(F)ccc2O)cc1SC ZINC000840774643 1044269334 /nfs/dbraw/zinc/26/93/34/1044269334.db2.gz KBLVWHHUWNPNDK-JTQLQIEISA-N 0 0 307.390 4.435 20 10 DICDRN C[C@@H]([NH2+]CC1CC(F)(F)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000293387444 1044280085 /nfs/dbraw/zinc/28/00/85/1044280085.db2.gz IPEQVRKPYTYSON-SSDOTTSWSA-N 0 0 310.171 4.395 20 10 DICDRN Cc1ccc2c(c1)SCCCN2C(=O)/C=C\c1cncc(C)c1 ZINC000778272895 1044284143 /nfs/dbraw/zinc/28/41/43/1044284143.db2.gz HWXTWVXSLFOKQI-ALCCZGGFSA-N 0 0 324.449 4.241 20 10 DICDRN CC[C@@](C)([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1nccs1 ZINC000293501246 1044291493 /nfs/dbraw/zinc/29/14/93/1044291493.db2.gz BLSJZZZMKFGPKO-CQSZACIVSA-N 0 0 314.813 4.056 20 10 DICDRN CCOc1ccc(N[C@H](C)c2ccc(C)cc2O)cc1OC ZINC000192782438 1044309308 /nfs/dbraw/zinc/30/93/08/1044309308.db2.gz FJQLPFJGCVBXPI-CYBMUJFWSA-N 0 0 301.386 4.281 20 10 DICDRN CC(C)c1csc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])n1 ZINC000293710022 1044315026 /nfs/dbraw/zinc/31/50/26/1044315026.db2.gz UPODKGMMTXFWMB-UHFFFAOYSA-N 0 0 314.813 4.054 20 10 DICDRN CCCc1nc(C)c(C[NH2+][C@@H](CC)c2ccc(F)cc2[O-])o1 ZINC000293903726 1044349034 /nfs/dbraw/zinc/34/90/34/1044349034.db2.gz ZSXUPRRKAJCBCJ-AWEZNQCLSA-N 0 0 306.381 4.021 20 10 DICDRN COCCCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000293928161 1044353887 /nfs/dbraw/zinc/35/38/87/1044353887.db2.gz XRIYXRODMVCUDL-IBGZPJMESA-N 0 0 313.441 4.082 20 10 DICDRN COCC[C@@H](C)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000840836475 1044357509 /nfs/dbraw/zinc/35/75/09/1044357509.db2.gz YKNXOBYCIFZAML-NXEZZACHSA-N 0 0 306.233 4.022 20 10 DICDRN Cc1cc(C(=O)NCCCC(C)C)c(C)n1-c1ccc(C#N)cc1 ZINC000303148308 1044467288 /nfs/dbraw/zinc/46/72/88/1044467288.db2.gz FAEHIGFKMJQEQS-UHFFFAOYSA-N 0 0 323.440 4.132 20 10 DICDRN C[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1Cl ZINC000759578300 1044475352 /nfs/dbraw/zinc/47/53/52/1044475352.db2.gz HBTJSARIDVALPX-GXMKHXEJSA-N 0 0 318.756 4.069 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)Nc1cc(C)ccc1C ZINC000118786411 1044485473 /nfs/dbraw/zinc/48/54/73/1044485473.db2.gz FFOORQYFOOFZAS-UHFFFAOYSA-N 0 0 312.413 4.453 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000120219455 1044503014 /nfs/dbraw/zinc/50/30/14/1044503014.db2.gz YEMYDQHADFQPNU-VHSXEESVSA-N 0 0 318.244 4.307 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)c1ccc(C)cc1O ZINC000295845860 1044566796 /nfs/dbraw/zinc/56/67/96/1044566796.db2.gz ATUOTVNANVNBGA-CQSZACIVSA-N 0 0 324.346 4.355 20 10 DICDRN COc1ccc(Br)cc1CSc1nccs1 ZINC000042374125 1044592518 /nfs/dbraw/zinc/59/25/18/1044592518.db2.gz SKTVHNRHYXVIPF-UHFFFAOYSA-N 0 0 316.245 4.207 20 10 DICDRN C[C@@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)c1ccc(F)cc1[O-] ZINC000296365579 1044612883 /nfs/dbraw/zinc/61/28/83/1044612883.db2.gz IXYZZJWNDWBWCJ-XHBSWPGZSA-N 0 0 301.361 4.094 20 10 DICDRN C[C@@H]([NH2+][C@H]1CCSc2ccccc21)c1c([O-])cccc1F ZINC000886502651 1044648279 /nfs/dbraw/zinc/64/82/79/1044648279.db2.gz JGRNVZGLFWCYMF-RISCZKNCSA-N 0 0 303.402 4.419 20 10 DICDRN CC(C)Oc1ccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)cc1 ZINC000886501615 1044648668 /nfs/dbraw/zinc/64/86/68/1044648668.db2.gz RBTJZCCPTDQUPG-ZDUSSCGKSA-N 0 0 303.377 4.169 20 10 DICDRN C[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCCO1)c1c([O-])cccc1F ZINC000886517459 1044652384 /nfs/dbraw/zinc/65/23/84/1044652384.db2.gz DTXDWZRXKCZPRW-IRWQIABSSA-N 0 0 315.388 4.102 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCCOc2cc(F)ccc21)c1c([O-])cccc1F ZINC000886580210 1044662788 /nfs/dbraw/zinc/66/27/88/1044662788.db2.gz AAPDRUVWIGKRHH-IAQYHMDHSA-N 0 0 319.351 4.235 20 10 DICDRN CC(=O)Nc1c(C)ccc(N[C@H](C)c2c(O)cccc2F)c1C ZINC000886568494 1044662924 /nfs/dbraw/zinc/66/29/24/1044662924.db2.gz LRWXXNQSSOOJKB-GFCCVEGCSA-N 0 0 316.376 4.280 20 10 DICDRN Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886592060 1044665879 /nfs/dbraw/zinc/66/58/79/1044665879.db2.gz JQPVWLRFPCNUGP-WCQYABFASA-N 0 0 319.424 4.203 20 10 DICDRN CCCNc1ccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)cc1 ZINC000886600790 1044666100 /nfs/dbraw/zinc/66/61/00/1044666100.db2.gz BBLFWVILEOJCOB-ZDUSSCGKSA-N 0 0 302.393 4.204 20 10 DICDRN Cc1nc2c(s1)[C@H]([NH2+][C@H](C)c1c([O-])cccc1F)CCC2 ZINC000886588264 1044666890 /nfs/dbraw/zinc/66/68/90/1044666890.db2.gz OAAAVEIJIGHZKQ-BXKDBHETSA-N 0 0 306.406 4.024 20 10 DICDRN CO[C@H]1CCOc2c(N[C@H](C)c3c(O)cccc3F)cccc21 ZINC000886602885 1044668537 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Cc1cccc(C)c1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001276283648 1045133827 /nfs/dbraw/zinc/13/38/27/1045133827.db2.gz KFSPSOMPPFZCON-QGZVFWFLSA-N 0 0 324.468 4.039 20 10 DICDRN Cc1ccc(O)c(CNc2nnc(C[C@@H](C)CC(C)(C)C)o2)c1 ZINC000777516194 1045165081 /nfs/dbraw/zinc/16/50/81/1045165081.db2.gz RTQXWSJAIXSIAC-CYBMUJFWSA-N 0 0 317.433 4.311 20 10 DICDRN O=C1/C(=C\c2ccsc2)SC(=S)N1c1ccccc1F ZINC000048392352 1045203284 /nfs/dbraw/zinc/20/32/84/1045203284.db2.gz FPXHNKXASAIUCT-KPKJPENVSA-N 0 0 321.423 4.293 20 10 DICDRN CCOC[C@H](C)[NH2+][C@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000779074454 1045248093 /nfs/dbraw/zinc/24/80/93/1045248093.db2.gz SYNVRSKASLYLRE-JOYOIKCWSA-N 0 0 306.233 4.165 20 10 DICDRN CC(C)[C@@H](Sc1nccs1)C(=O)Nc1ccccc1F ZINC000048876205 1045284837 /nfs/dbraw/zinc/28/48/37/1045284837.db2.gz NJOBLUSKXGQCFI-GFCCVEGCSA-N 0 0 310.419 4.038 20 10 DICDRN C[C@@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1ccc(F)cc1[O-] ZINC000527962107 1045289203 /nfs/dbraw/zinc/28/92/03/1045289203.db2.gz 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/nfs/dbraw/zinc/60/82/91/1045608291.db2.gz FXTBDGPOWSYJMW-INIZCTEOSA-N 0 0 302.462 4.119 20 10 DICDRN Cc1cncn1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC001124182876 1045612041 /nfs/dbraw/zinc/61/20/41/1045612041.db2.gz UAZKZTCSVRSOHC-UHFFFAOYSA-N 0 0 319.368 4.246 20 10 DICDRN CC[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1nccs1 ZINC000078004031 1045630078 /nfs/dbraw/zinc/63/00/78/1045630078.db2.gz BHWMXLAVSXFMSD-NSHDSACASA-N 0 0 317.241 4.396 20 10 DICDRN C[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)c1cc(F)cc(F)c1[O-] ZINC000800494696 1045634100 /nfs/dbraw/zinc/63/41/00/1045634100.db2.gz YWLVTFNSTBHMGZ-NXEZZACHSA-N 0 0 305.315 4.147 20 10 DICDRN COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000800993327 1045680378 /nfs/dbraw/zinc/68/03/78/1045680378.db2.gz NJRYDEVECAWBIK-QFYYESIMSA-N 0 0 319.351 4.017 20 10 DICDRN CC[C@@H](C)CCCCC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000752595459 1045692423 /nfs/dbraw/zinc/69/24/23/1045692423.db2.gz FYUCZFMPNMLBBZ-KGLIPLIRSA-N 0 0 307.434 4.185 20 10 DICDRN CO[C@@H]1CCN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000752619803 1045693425 /nfs/dbraw/zinc/69/34/25/1045693425.db2.gz ZOGLZIOWFQNDMG-QGZVFWFLSA-N 0 0 324.384 4.355 20 10 DICDRN CC[C@@H](C)CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000191412306 1045697549 /nfs/dbraw/zinc/69/75/49/1045697549.db2.gz VZPVJKKYKWMQQH-MRXNPFEDSA-N 0 0 302.462 4.072 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)C2(C)CCCC2)cc1 ZINC000752762261 1045702724 /nfs/dbraw/zinc/70/27/24/1045702724.db2.gz QTHCWZRVLGAZCW-UHFFFAOYSA-N 0 0 302.462 4.072 20 10 DICDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCC(C)(C)C1 ZINC001124549063 1045720461 /nfs/dbraw/zinc/72/04/61/1045720461.db2.gz AWVNSXFTEBRSAB-KRWDZBQOSA-N 0 0 314.473 4.072 20 10 DICDRN Cc1ccc2c(C(=O)NCc3ccc(N(C)C)cc3)csc2c1 ZINC001124552038 1045721058 /nfs/dbraw/zinc/72/10/58/1045721058.db2.gz AOGGFRCVFCYHHL-UHFFFAOYSA-N 0 0 324.449 4.206 20 10 DICDRN CN(C)c1ccc(CN(C)C(=O)CC2(C)CCCCC2)cc1 ZINC000752996808 1045721105 /nfs/dbraw/zinc/72/11/05/1045721105.db2.gz GRQKQYHEPJVKNH-UHFFFAOYSA-N 0 0 302.462 4.072 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(C)cc(F)c1 ZINC000801547928 1045735662 /nfs/dbraw/zinc/73/56/62/1045735662.db2.gz FUYSXPNOYYSPMI-UHFFFAOYSA-N 0 0 315.388 4.282 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)CCc1cccs1 ZINC000801547992 1045735990 /nfs/dbraw/zinc/73/59/90/1045735990.db2.gz IIVHMAYKMGKMIJ-UHFFFAOYSA-N 0 0 317.454 4.215 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(F)c(F)c1 ZINC000801549258 1045736126 /nfs/dbraw/zinc/73/61/26/1045736126.db2.gz IBNMSZPWQKYAJB-UHFFFAOYSA-N 0 0 319.351 4.113 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)/C=C1\CC[C@@H](C)C1 ZINC000801551008 1045736933 /nfs/dbraw/zinc/73/69/33/1045736933.db2.gz GUCZJDPLLAJILQ-WTNDLDAUSA-N 0 0 301.430 4.267 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1oc(CC)cc1C ZINC000801551510 1045737119 /nfs/dbraw/zinc/73/71/19/1045737119.db2.gz MSYQJENUBSUSCU-UHFFFAOYSA-N 0 0 315.413 4.299 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(C)c(F)c1 ZINC000801548807 1045738425 /nfs/dbraw/zinc/73/84/25/1045738425.db2.gz RETLXCVTBNMRNI-UHFFFAOYSA-N 0 0 315.388 4.282 20 10 DICDRN CC1(CC(=O)NCc2ccc(N3CCCC3)cc2)CCCCC1 ZINC000753277923 1045744959 /nfs/dbraw/zinc/74/49/59/1045744959.db2.gz WCKBTZRIGWMOTK-UHFFFAOYSA-N 0 0 314.473 4.264 20 10 DICDRN FC(F)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000078674579 1045751774 /nfs/dbraw/zinc/75/17/74/1045751774.db2.gz SWVQRAQUHDKRFD-CYBMUJFWSA-N 0 0 324.396 4.086 20 10 DICDRN Cc1ccc(/C=C/C(=O)N(C)c2c(Cl)cccc2Cl)cn1 ZINC000779472666 1045754074 /nfs/dbraw/zinc/75/40/74/1045754074.db2.gz AWJFJAALFUDHSB-CMDGGOBGSA-N 0 0 321.207 4.373 20 10 DICDRN Cc1ccc(/C=C\C(=O)N2CC[C@H](C)Sc3ccccc32)cn1 ZINC000779472581 1045754622 /nfs/dbraw/zinc/75/46/22/1045754622.db2.gz YECXRAODMWOFRQ-KVPUOBJLSA-N 0 0 324.449 4.321 20 10 DICDRN CCc1cnc(CN(Cc2ccc(N(C)C)cc2)C(C)C)s1 ZINC000753533566 1045759223 /nfs/dbraw/zinc/75/92/23/1045759223.db2.gz BFUKABSRFOHTNX-UHFFFAOYSA-N 0 0 317.502 4.182 20 10 DICDRN Cc1ccc(C(=O)Nc2cccc(N3CCCCCC3)c2)cc1O ZINC000779486313 1045767438 /nfs/dbraw/zinc/76/74/38/1045767438.db2.gz VARVRNRWNIEXKX-UHFFFAOYSA-N 0 0 324.424 4.333 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)/C=C1\CC[C@H](C)C1 ZINC000753580280 1045767306 /nfs/dbraw/zinc/76/73/06/1045767306.db2.gz CMKDXQFICYGFSS-HZGBGQKMSA-N 0 0 314.473 4.236 20 10 DICDRN C[C@@H]1CC/C(=C/C(=O)NCc2ccc(N3CCCCC3)cc2)C1 ZINC000753594481 1045772176 /nfs/dbraw/zinc/77/21/76/1045772176.db2.gz CWYBXLWOHLNEJU-VVZNPABPSA-N 0 0 312.457 4.040 20 10 DICDRN C[C@H]1CCCC[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001124836282 1045776304 /nfs/dbraw/zinc/77/63/04/1045776304.db2.gz UCFMDUZHBUXFHP-HNAYVOBHSA-N 0 0 314.473 4.070 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCC[C@H](C)C1 ZINC000801993304 1045873698 /nfs/dbraw/zinc/87/36/98/1045873698.db2.gz HAARLCLGTGAUOT-RDJZCZTQSA-N 0 0 318.461 4.283 20 10 DICDRN Cc1ccc([C@@H]2CCCCN2C(=O)C2=CC(=O)CS2)cc1 ZINC000754455134 1045890136 /nfs/dbraw/zinc/89/01/36/1045890136.db2.gz YWIFKYBEWAJFCW-HNNXBMFYSA-N 0 0 301.411 4.130 20 10 DICDRN COc1ccc(N(Cc2nnc(C3CC3)s2)CC(C)C)cc1 ZINC000828206374 1045896905 /nfs/dbraw/zinc/89/69/05/1045896905.db2.gz SWKIMYBRDAIEAR-UHFFFAOYSA-N 0 0 317.458 4.087 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)CC(C)C ZINC000802259826 1045931749 /nfs/dbraw/zinc/93/17/49/1045931749.db2.gz ZXYGJKIDTACSMI-HNNXBMFYSA-N 0 0 306.450 4.139 20 10 DICDRN COc1ccc(O)c([C@@H](C)Nc2ccc(C)c3ncccc23)c1 ZINC000192820452 1045938884 /nfs/dbraw/zinc/93/88/84/1045938884.db2.gz ZZURBMJVMJDDKO-CYBMUJFWSA-N 0 0 308.381 4.431 20 10 DICDRN COc1ccc(O)c([C@@H](C)Nc2ccc(C)c(OC)c2C)c1 ZINC000192833800 1045940778 /nfs/dbraw/zinc/94/07/78/1045940778.db2.gz RSKJVNWRPORINE-CYBMUJFWSA-N 0 0 301.386 4.199 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)CCC1CC1 ZINC000802296730 1045943842 /nfs/dbraw/zinc/94/38/42/1045943842.db2.gz JXSVJBHXSFYEGD-HNNXBMFYSA-N 0 0 318.461 4.283 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CC[C@@H](C)C1 ZINC000802309891 1045952575 /nfs/dbraw/zinc/95/25/75/1045952575.db2.gz HXHGQCNCWDVAEM-HZPDHXFCSA-N 0 0 318.461 4.140 20 10 DICDRN CCOc1cc(N[C@H](C)c2ccc(N(C)C)cc2)ccc1OC ZINC000193011272 1045960914 /nfs/dbraw/zinc/96/09/14/1045960914.db2.gz MXUHIPSNJKHGNF-CQSZACIVSA-N 0 0 314.429 4.333 20 10 DICDRN Cc1nc2ccc(CNc3ccc4c(c3)ncn4C)cc2s1 ZINC000755211606 1045964515 /nfs/dbraw/zinc/96/45/15/1045964515.db2.gz MWHRZNFKONRBTI-UHFFFAOYSA-N 0 0 308.410 4.104 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)c1ccsc1 ZINC000802387171 1045966077 /nfs/dbraw/zinc/96/60/77/1045966077.db2.gz YSIGNIKBNJVTAA-CYBMUJFWSA-N 0 0 318.442 4.137 20 10 DICDRN [O-]c1cccc(F)c1C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC001137838468 1045979243 /nfs/dbraw/zinc/97/92/43/1045979243.db2.gz AXVIQWYBPPYTTC-UHFFFAOYSA-N 0 0 317.379 4.125 20 10 DICDRN [O-]c1cccc(F)c1C[NH+]1CCC(Cc2ccccc2F)CC1 ZINC001137839255 1045980132 /nfs/dbraw/zinc/98/01/32/1045980132.db2.gz YLVXWHCYJRXAEV-UHFFFAOYSA-N 0 0 317.379 4.125 20 10 DICDRN CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2c([O-])cccc2F)cc1 ZINC001137839240 1045980756 /nfs/dbraw/zinc/98/07/56/1045980756.db2.gz XXOXXDWJOQCDMA-SFHVURJKSA-N 0 0 315.388 4.267 20 10 DICDRN CCC[C@H](C(=O)c1ccccc1)N(C)Cc1c(O)cccc1F ZINC001137841316 1045981293 /nfs/dbraw/zinc/98/12/93/1045981293.db2.gz ABVZRLFCXANMNU-QGZVFWFLSA-N 0 0 315.388 4.015 20 10 DICDRN COc1cc2c(cc1NCc1nccc(C)n1)oc1ccccc12 ZINC000755422437 1045987566 /nfs/dbraw/zinc/98/75/66/1045987566.db2.gz UWBIAWLDAWOROD-UHFFFAOYSA-N 0 0 319.364 4.305 20 10 DICDRN Cc1cc(CN2Cc3cnc(C)cc3C2)c(C)n1-c1ccccc1 ZINC001137859312 1045988104 /nfs/dbraw/zinc/98/81/04/1045988104.db2.gz SOUWFBGYZUVBIW-UHFFFAOYSA-N 0 0 317.436 4.313 20 10 DICDRN CC1(C)CN(C(=O)/C=C/c2cccnc2)c2ccccc2S1 ZINC000755624176 1046003328 /nfs/dbraw/zinc/00/33/28/1046003328.db2.gz VAWKKRQUTJDUAR-MDZDMXLPSA-N 0 0 310.422 4.012 20 10 DICDRN CCCCC1CCC(C(=O)N(C)Cc2ccccc2O)CC1 ZINC000383722385 1046016707 /nfs/dbraw/zinc/01/67/07/1046016707.db2.gz KITVJVMTPJTSEV-UHFFFAOYSA-N 0 0 303.446 4.347 20 10 DICDRN COc1cc(Cl)cc(CNc2ccc(Cl)nc2C)c1O ZINC000193479412 1046019486 /nfs/dbraw/zinc/01/94/86/1046019486.db2.gz HABCCKNIBCPICL-UHFFFAOYSA-N 0 0 313.184 4.023 20 10 DICDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000830141515 1046045559 /nfs/dbraw/zinc/04/55/59/1046045559.db2.gz VVOCCCDRVOKFKC-HKUYNNGSSA-N 0 0 323.436 4.010 20 10 DICDRN CCc1c(NCc2cccc(C)c2O)cnn1CCC(C)C ZINC000756128681 1046054221 /nfs/dbraw/zinc/05/42/21/1046054221.db2.gz LWEAXAAMIDDWDR-UHFFFAOYSA-N 0 0 301.434 4.118 20 10 DICDRN CC/C(C)=C(\C)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000779753605 1046057243 /nfs/dbraw/zinc/05/72/43/1046057243.db2.gz DDODDLPNSSYWDA-FOCLMDBBSA-N 0 0 302.462 4.238 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCCc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000756340127 1046064364 /nfs/dbraw/zinc/06/43/64/1046064364.db2.gz DGUKWLGLYNEPAB-PIGZYNQJSA-N 0 0 303.352 4.399 20 10 DICDRN CCC[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756338823 1046065886 /nfs/dbraw/zinc/06/58/86/1046065886.db2.gz AOXMDJRPGDJNNF-DTWKUNHWSA-N 0 0 304.203 4.133 20 10 DICDRN Cc1cc(Cn2cnc3c2CCCC3)ccc1N1CCCCC1 ZINC000830446189 1046068436 /nfs/dbraw/zinc/06/84/36/1046068436.db2.gz WMJSTWDBMFJKJV-UHFFFAOYSA-N 0 0 309.457 4.109 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)c1cc(F)cc(F)c1[O-] ZINC000756354595 1046069711 /nfs/dbraw/zinc/06/97/11/1046069711.db2.gz FWKSJFDOTMTEIN-DTWKUNHWSA-N 0 0 313.294 4.360 20 10 DICDRN Cc1nc(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])cs1 ZINC000756434181 1046082212 /nfs/dbraw/zinc/08/22/12/1046082212.db2.gz JCUXJOQLORHOSD-ZETCQYMHSA-N 0 0 317.241 4.315 20 10 DICDRN C[C@@H]([NH2+]CCCO[C@H](C)c1ccccc1)c1ccc(F)cc1[O-] ZINC000756357631 1046070174 /nfs/dbraw/zinc/07/01/74/1046070174.db2.gz GGEXULURQJCIKY-HUUCEWRRSA-N 0 0 317.404 4.350 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1ccccc1OC ZINC000756402496 1046077170 /nfs/dbraw/zinc/07/71/70/1046077170.db2.gz SIAFHWRMQJYQSK-ZBEGNZNMSA-N 0 0 321.367 4.481 20 10 DICDRN C[C@H](Cc1ccccc1F)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756446502 1046080748 /nfs/dbraw/zinc/08/07/48/1046080748.db2.gz QVNQCSIGWNDIKJ-GHMZBOCLSA-N 0 0 309.331 4.091 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCCSC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756635975 1046114738 /nfs/dbraw/zinc/11/47/38/1046114738.db2.gz CTRRHMKOBBGOPR-DTWKUNHWSA-N 0 0 306.258 4.245 20 10 DICDRN C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1cc(Br)cc(Cl)c1[O-] ZINC000756457217 1046084451 /nfs/dbraw/zinc/08/44/51/1046084451.db2.gz QQNWXHPFNMKBEX-HRDYMLBCSA-N 0 0 318.642 4.115 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCCOc2ccc(F)cc21)c1ccc(F)cc1[O-] ZINC000756481937 1046086957 /nfs/dbraw/zinc/08/69/57/1046086957.db2.gz GUUJAHLMWHRXIG-MEDUHNTESA-N 0 0 319.351 4.235 20 10 DICDRN Cc1occc1C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756483910 1046087120 /nfs/dbraw/zinc/08/71/20/1046087120.db2.gz ZMIDJLBEEFFRQR-MRVPVSSYSA-N 0 0 300.185 4.451 20 10 DICDRN C[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1cc(F)cc(F)c1[O-] ZINC000756491126 1046088925 /nfs/dbraw/zinc/08/89/25/1046088925.db2.gz SUEPHXASTRSHKF-FVMDXXJSSA-N 0 0 307.315 4.148 20 10 DICDRN COc1ccc(CC[C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000756503372 1046090664 /nfs/dbraw/zinc/09/06/64/1046090664.db2.gz KQGKVMPZEZYSSY-KGLIPLIRSA-N 0 0 317.404 4.212 20 10 DICDRN C[C@@H](Nc1ccc(CCO)cc1)c1ccc2ccccc2c1O ZINC000194009602 1046090808 /nfs/dbraw/zinc/09/08/08/1046090808.db2.gz LAWLZWCDPGOKGR-CQSZACIVSA-N 0 0 307.393 4.253 20 10 DICDRN COc1ccc(CC[C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000756503369 1046092152 /nfs/dbraw/zinc/09/21/52/1046092152.db2.gz KQGKVMPZEZYSSY-KBPBESRZSA-N 0 0 317.404 4.212 20 10 DICDRN COc1ccc([C@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756498624 1046092432 /nfs/dbraw/zinc/09/24/32/1046092432.db2.gz YGKMASVPTDPEGR-WDEREUQCSA-N 0 0 307.340 4.091 20 10 DICDRN Cc1cc(C)c(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(C)c1 ZINC000756498682 1046092644 /nfs/dbraw/zinc/09/26/44/1046092644.db2.gz YPUJEKCDBGEWLR-CQSZACIVSA-N 0 0 314.385 4.076 20 10 DICDRN C[C@H]([NH2+]Cc1cccc2cccnc21)c1cc(F)cc(F)c1[O-] ZINC000756494940 1046092835 /nfs/dbraw/zinc/09/28/35/1046092835.db2.gz IPLXIUGNVASXLY-NSHDSACASA-N 0 0 314.335 4.069 20 10 DICDRN C[C@@H]([NH2+][C@H]1CCCOc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000756515899 1046093924 /nfs/dbraw/zinc/09/39/24/1046093924.db2.gz GQKXYCNGBMLQLW-BZNIZROVSA-N 0 0 319.351 4.235 20 10 DICDRN Cc1cccc(NC(=O)N(C)Cc2ccccc2O)c1Cl ZINC000081092142 1046095310 /nfs/dbraw/zinc/09/53/10/1046095310.db2.gz UPKKEBOKMWUMBN-UHFFFAOYSA-N 0 0 304.777 4.018 20 10 DICDRN C[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1ccc(F)cc1 ZINC000756531902 1046095506 /nfs/dbraw/zinc/09/55/06/1046095506.db2.gz BACUZUXHOHQKCO-QWRGUYRKSA-N 0 0 309.331 4.264 20 10 DICDRN C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756532669 1046096233 /nfs/dbraw/zinc/09/62/33/1046096233.db2.gz GKMJCOUGCCDZGW-NEPJUHHUSA-N 0 0 321.367 4.048 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)CCc1ccc(O)cc1)c1cc(F)cc(F)c1[O-] ZINC000756532672 1046096464 /nfs/dbraw/zinc/09/64/64/1046096464.db2.gz GKMJCOUGCCDZGW-NWDGAFQWSA-N 0 0 321.367 4.048 20 10 DICDRN CCN(CC)C[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756536357 1046096530 /nfs/dbraw/zinc/09/65/30/1046096530.db2.gz VDQVMTVCEZIEQT-GHMZBOCLSA-N 0 0 319.276 4.080 20 10 DICDRN CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])Nc1ccccc1 ZINC000756556341 1046100422 /nfs/dbraw/zinc/10/04/22/1046100422.db2.gz NPVMHMFWTWDVRI-RDTXWAMCSA-N 0 0 316.420 4.319 20 10 DICDRN C[C@H]([NH2+]CC(C)(C)c1cccs1)c1cc(F)cc(F)c1[O-] ZINC000756571804 1046101957 /nfs/dbraw/zinc/10/19/57/1046101957.db2.gz KQSWCGSCPNZIJC-JTQLQIEISA-N 0 0 311.397 4.360 20 10 DICDRN [O-]c1c(F)cccc1C[N@@H+]1CCCC[C@H]1c1ccccc1F ZINC001138127755 1046102539 /nfs/dbraw/zinc/10/25/39/1046102539.db2.gz ONNSJKHITUDNEN-KRWDZBQOSA-N 0 0 303.352 4.398 20 10 DICDRN C[C@@H]([NH2+]CC1CCSCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756575890 1046103213 /nfs/dbraw/zinc/10/32/13/1046103213.db2.gz QYKJRNQICUUKPO-SECBINFHSA-N 0 0 320.285 4.493 20 10 DICDRN CCCCN(C)CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756577019 1046103305 /nfs/dbraw/zinc/10/33/05/1046103305.db2.gz PWLXGZMTDSGYMC-LLVKDONJSA-N 0 0 319.276 4.082 20 10 DICDRN CCN(CC(F)F)C(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC001138124302 1046103361 /nfs/dbraw/zinc/10/33/61/1046103361.db2.gz GYEFDSBKAPBQFV-UHFFFAOYSA-N 0 0 320.383 4.130 20 10 DICDRN [O-]c1c(F)cccc1C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC001138122494 1046103435 /nfs/dbraw/zinc/10/34/35/1046103435.db2.gz JHNLXJSYRLSZAN-UHFFFAOYSA-N 0 0 317.791 4.474 20 10 DICDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@H]1c1cc(F)ccc1F ZINC001138127789 1046103646 /nfs/dbraw/zinc/10/36/46/1046103646.db2.gz QILPDPSQQNJRRM-MRXNPFEDSA-N 0 0 307.315 4.147 20 10 DICDRN Cc1cccnc1[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C(C)C ZINC000756582448 1046104320 /nfs/dbraw/zinc/10/43/20/1046104320.db2.gz IUTBYIHPLLENJA-BLLLJJGKSA-N 0 0 320.383 4.422 20 10 DICDRN Cc1ccc(C[C@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])s1 ZINC000756586630 1046104652 /nfs/dbraw/zinc/10/46/52/1046104652.db2.gz UEGIYBFZMUHKKZ-ONGXEEELSA-N 0 0 311.397 4.322 20 10 DICDRN Cc1cccc([C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1C ZINC000756584203 1046104737 /nfs/dbraw/zinc/10/47/37/1046104737.db2.gz GAQULOQJUBRBCS-UONOGXRCSA-N 0 0 314.385 4.329 20 10 DICDRN Oc1c(F)cccc1CN1CC[C@@H](c2ccccc2)C(F)(F)C1 ZINC001138130815 1046106572 /nfs/dbraw/zinc/10/65/72/1046106572.db2.gz ILYBEXHNPTXNCO-HNNXBMFYSA-N 0 0 321.342 4.156 20 10 DICDRN CCS[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000756635953 1046114159 /nfs/dbraw/zinc/11/41/59/1046114159.db2.gz CPRCFHAOYLVLMK-SGMGOOAPSA-N 0 0 324.446 4.015 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(CC)s1 ZINC000195123969 1046114855 /nfs/dbraw/zinc/11/48/55/1046114855.db2.gz HWQZDAJTTFULJL-UHFFFAOYSA-N 0 0 303.427 4.069 20 10 DICDRN Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])CC2 ZINC000756704300 1046122135 /nfs/dbraw/zinc/12/21/35/1046122135.db2.gz DVDUKHBALJSYJH-GTNSWQLSSA-N 0 0 303.352 4.317 20 10 DICDRN Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])CC2 ZINC000756704299 1046122701 /nfs/dbraw/zinc/12/27/01/1046122701.db2.gz DVDUKHBALJSYJH-DIFFPNOSSA-N 0 0 303.352 4.317 20 10 DICDRN CC[C@H]1CCCCN1C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000195565106 1046124086 /nfs/dbraw/zinc/12/40/86/1046124086.db2.gz MZSSNYAHDKFEMX-KRWDZBQOSA-N 0 0 317.477 4.007 20 10 DICDRN CO[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])c1cccc(Cl)c1 ZINC000756732695 1046124331 /nfs/dbraw/zinc/12/43/31/1046124331.db2.gz NIHIWEMHJQFGOS-GTNSWQLSSA-N 0 0 323.795 4.223 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@H]1Oc2ccccc2[C@H]1C ZINC000756748061 1046125397 /nfs/dbraw/zinc/12/53/97/1046125397.db2.gz VDSKZQHHDSBBJY-VWQQLOEOSA-N 0 0 315.388 4.135 20 10 DICDRN C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756762486 1046128239 /nfs/dbraw/zinc/12/82/39/1046128239.db2.gz UMIDMTSAQPSVGX-VHSXEESVSA-N 0 0 320.260 4.147 20 10 DICDRN CC(C)OC1CCC([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756768317 1046129541 /nfs/dbraw/zinc/12/95/41/1046129541.db2.gz LYGCPAOMCADKQW-XGNXJENSSA-N 0 0 313.388 4.057 20 10 DICDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H]2CCCC(C)(C)C2)c1 ZINC000756766290 1046129670 /nfs/dbraw/zinc/12/96/70/1046129670.db2.gz LTHOXFUSIPTYOO-KGLIPLIRSA-N 0 0 319.445 4.185 20 10 DICDRN C[C@@H]([NH2+]Cc1cccc(F)n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756770350 1046130148 /nfs/dbraw/zinc/13/01/48/1046130148.db2.gz UCBJNFHMUDEHQR-MRVPVSSYSA-N 0 0 315.175 4.084 20 10 DICDRN COc1cccc(C(C)(C)C[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000756771049 1046130609 /nfs/dbraw/zinc/13/06/09/1046130609.db2.gz ZCBMFFQZCFFCRQ-ZDUSSCGKSA-N 0 0 317.404 4.168 20 10 DICDRN Cc1cc(C(=O)N(C)C2CC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000195679962 1046131406 /nfs/dbraw/zinc/13/14/06/1046131406.db2.gz FHQIJNCDATUWOW-UHFFFAOYSA-N 0 0 310.441 4.452 20 10 DICDRN C[C@@H]([NH2+]CC1(c2ccc(F)cc2F)CC1)c1ccc(F)cc1[O-] ZINC000756779214 1046132096 /nfs/dbraw/zinc/13/20/96/1046132096.db2.gz RHEUTCSBSFCYSC-LLVKDONJSA-N 0 0 321.342 4.192 20 10 DICDRN CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756783341 1046133773 /nfs/dbraw/zinc/13/37/73/1046133773.db2.gz XYZCKWCRLDOBQE-FMTVUPSXSA-N 0 0 321.367 4.097 20 10 DICDRN CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756788209 1046135186 /nfs/dbraw/zinc/13/51/86/1046135186.db2.gz BTVURISFNFYPNQ-SOZUMNATSA-N 0 0 321.367 4.097 20 10 DICDRN COc1ccc(N[C@H]2C[C@H](C)c3c2c(O)ccc3F)c(OC)c1 ZINC000756790185 1046135230 /nfs/dbraw/zinc/13/52/30/1046135230.db2.gz MULSAPLFRYZURK-HZMBPMFUSA-N 0 0 317.360 4.209 20 10 DICDRN Cc1cc(N(C)C)ccc1N[C@H](C)c1cc(F)cc(F)c1O ZINC000756793261 1046135479 /nfs/dbraw/zinc/13/54/79/1046135479.db2.gz WVXZXVJZCMJELD-LLVKDONJSA-N 0 0 306.356 4.218 20 10 DICDRN COc1ccc(N[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)cc1OC ZINC000756794610 1046136803 /nfs/dbraw/zinc/13/68/03/1046136803.db2.gz JOAWTQGJZBYQBS-ZWNOBZJWSA-N 0 0 317.360 4.209 20 10 DICDRN C[C@H](Nc1ccc2c(c1)OCCCO2)c1cc(Cl)ccc1O ZINC000756798250 1046136839 /nfs/dbraw/zinc/13/68/39/1046136839.db2.gz WOHGUCSDKLVOHC-NSHDSACASA-N 0 0 319.788 4.380 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])C1(C)CC1 ZINC000756817121 1046138505 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324.808 4.310 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccc(Cl)cc1OC)c1ccc(F)cc1[O-] ZINC000796757868 1046281346 /nfs/dbraw/zinc/28/13/46/1046281346.db2.gz ATPFPKQVWDAKPB-OAHLLOKOSA-N 0 0 323.795 4.434 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000758724191 1046287265 /nfs/dbraw/zinc/28/72/65/1046287265.db2.gz KJNRLNXVUXZXHQ-BFYDXBDKSA-N 0 0 318.461 4.139 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)NCC1(CCC)CCC1 ZINC000758897689 1046299212 /nfs/dbraw/zinc/29/92/12/1046299212.db2.gz FNOJRZGSKAIPEK-UHFFFAOYSA-N 0 0 318.461 4.284 20 10 DICDRN C[C@H]1CC[C@H](CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000759135371 1046322695 /nfs/dbraw/zinc/32/26/95/1046322695.db2.gz LBWWGWVSAQILGZ-RDJZCZTQSA-N 0 0 314.473 4.070 20 10 DICDRN CCC(CC)CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000759137854 1046322737 /nfs/dbraw/zinc/32/27/37/1046322737.db2.gz YVEZWQBGRCXRLO-UHFFFAOYSA-N 0 0 302.462 4.070 20 10 DICDRN CCC(CC)CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000759157068 1046324858 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CCCC[C@H](CCC)NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000748977405 1046419346 /nfs/dbraw/zinc/41/93/46/1046419346.db2.gz KTCRHLFMLBPZBU-KGLIPLIRSA-N 0 0 322.449 4.120 20 10 DICDRN CCCC[C@@H](CCC)NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000748977408 1046419363 /nfs/dbraw/zinc/41/93/63/1046419363.db2.gz KTCRHLFMLBPZBU-UONOGXRCSA-N 0 0 322.449 4.120 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ncc(Cl)s1 ZINC000719413869 1046427190 /nfs/dbraw/zinc/42/71/90/1046427190.db2.gz SDQCWFNAMFPWNU-UHFFFAOYSA-N 0 0 323.632 4.099 20 10 DICDRN Cc1cnc(CN(C)c2ccc(OCc3ccccc3)cc2)nc1 ZINC000781963577 1046488883 /nfs/dbraw/zinc/48/88/83/1046488883.db2.gz KQMFHYMBIAEGQD-UHFFFAOYSA-N 0 0 319.408 4.000 20 10 DICDRN CN(C)c1cc(CSc2ncc(C(C)(C)C)s2)ccn1 ZINC000782112397 1046496186 /nfs/dbraw/zinc/49/61/86/1046496186.db2.gz PXPKSUVHFOECCP-UHFFFAOYSA-N 0 0 307.488 4.194 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H](C(C)C)C1 ZINC001137299395 1046499098 /nfs/dbraw/zinc/49/90/98/1046499098.db2.gz QMQIQJUHQUQZKH-HNNXBMFYSA-N 0 0 316.470 4.274 20 10 DICDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001139686017 1046499254 /nfs/dbraw/zinc/49/92/54/1046499254.db2.gz JTYSCOPOJYMVJG-LBPRGKRZSA-N 0 0 323.770 4.313 20 10 DICDRN Oc1c(Cl)cccc1CNc1ccc2c(c1)[C@H](O)CCCC2 ZINC000827024156 1046543279 /nfs/dbraw/zinc/54/32/79/1046543279.db2.gz AOLGDRCKJSOILU-QGZVFWFLSA-N 0 0 317.816 4.418 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC(C3CCCC3)C2)cc1 ZINC001140010424 1046568078 /nfs/dbraw/zinc/56/80/78/1046568078.db2.gz KVRBGTXQANALOE-UHFFFAOYSA-N 0 0 322.452 4.356 20 10 DICDRN CCC[C@@H](C(=O)c1ccccc1)[N@H+](C)Cc1cc(F)ccc1O ZINC001140060193 1046577516 /nfs/dbraw/zinc/57/75/16/1046577516.db2.gz OUQJEIKZWJYOQF-KRWDZBQOSA-N 0 0 315.388 4.015 20 10 DICDRN Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001140058477 1046577714 /nfs/dbraw/zinc/57/77/14/1046577714.db2.gz CEPQFLUPEHBPRL-CYBMUJFWSA-N 0 0 305.780 4.174 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000783311971 1046578627 /nfs/dbraw/zinc/57/86/27/1046578627.db2.gz YAQCGYFMAQKTHO-GXFFZTMASA-N 0 0 316.228 4.432 20 10 DICDRN CC[C@H]([NH2+]C[C@H]1CCC=CO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000783311972 1046579606 /nfs/dbraw/zinc/57/96/06/1046579606.db2.gz YAQCGYFMAQKTHO-MFKMUULPSA-N 0 0 316.228 4.432 20 10 DICDRN C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1cc(Br)cc(F)c1[O-] ZINC000783311742 1046580613 /nfs/dbraw/zinc/58/06/13/1046580613.db2.gz ZRGHIXUKFDNEEL-YWVKMMECSA-N 0 0 316.214 4.133 20 10 DICDRN CCN(CC)c1ccc(C[NH2+]C2(c3ccc(F)cc3)CC2)cc1 ZINC000729685520 1046582532 /nfs/dbraw/zinc/58/25/32/1046582532.db2.gz GCFFENIUTRJFGK-UHFFFAOYSA-N 0 0 312.432 4.451 20 10 DICDRN CC(C)[C@@H](CC(F)(F)F)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000783328381 1046583349 /nfs/dbraw/zinc/58/33/49/1046583349.db2.gz ADHYVBGWKHWLHP-PRHODGIISA-N 0 0 311.294 4.298 20 10 DICDRN CCOc1ccc(CNc2ccc(Br)cc2)c(O)c1 ZINC000783373678 1046586899 /nfs/dbraw/zinc/58/68/99/1046586899.db2.gz CSXMRFMUFZNVKI-UHFFFAOYSA-N 0 0 322.202 4.166 20 10 DICDRN CO[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000783603546 1046613787 /nfs/dbraw/zinc/61/37/87/1046613787.db2.gz SPJBSRRNWZSRFZ-IBGZPJMESA-N 0 0 311.425 4.060 20 10 DICDRN CCN(Cc1ccccc1)c1ccc(CNc2ncccn2)cc1 ZINC000783625398 1046615332 /nfs/dbraw/zinc/61/53/32/1046615332.db2.gz SKMLWNLYRKQHOV-UHFFFAOYSA-N 0 0 318.424 4.115 20 10 DICDRN Cc1cc(C(=O)N[C@@H]2CCC2(C)C)c(C)n1-c1ccc(F)cc1 ZINC001140231599 1046620647 /nfs/dbraw/zinc/62/06/47/1046620647.db2.gz QZUYYLUISJPXOD-QGZVFWFLSA-N 0 0 314.404 4.152 20 10 DICDRN Fc1cc(Br)cc(CSc2nccs2)c1 ZINC000093962417 1046644524 /nfs/dbraw/zinc/64/45/24/1046644524.db2.gz HWTHCOCZWGCKMT-UHFFFAOYSA-N 0 0 304.209 4.337 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)C(C)(C)C(C)C)cc1 ZINC000784032003 1046652968 /nfs/dbraw/zinc/65/29/68/1046652968.db2.gz FGZQFMPVVXIMMI-UHFFFAOYSA-N 0 0 304.478 4.173 20 10 DICDRN CC[C@@H]([NH2+]CCCNc1ccccc1)c1ccc(F)cc1[O-] ZINC000796771312 1046653581 /nfs/dbraw/zinc/65/35/81/1046653581.db2.gz IPMRVPARHKVYBH-QGZVFWFLSA-N 0 0 302.393 4.074 20 10 DICDRN Oc1cccc2c1[C@@H](Nc1ccccc1OCC(F)F)CC2 ZINC000834730440 1046656150 /nfs/dbraw/zinc/65/61/50/1046656150.db2.gz XVNAGIUNTOJWPF-ZDUSSCGKSA-N 0 0 305.324 4.136 20 10 DICDRN COc1cc(N[C@@H]2CCc3cccc(O)c32)ccc1OC(C)C ZINC000834770632 1046668386 /nfs/dbraw/zinc/66/83/86/1046668386.db2.gz WSYQOTQMOBXPKF-OAHLLOKOSA-N 0 0 313.397 4.287 20 10 DICDRN CCCC[C@@H](CCC)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001137341036 1046672462 /nfs/dbraw/zinc/67/24/62/1046672462.db2.gz XPEAHOATRIVNGT-CYBMUJFWSA-N 0 0 318.421 4.185 20 10 DICDRN Cc1cc(NCc2ccc3c(c2)CCN3Cc2ccccc2)no1 ZINC000795784753 1046677322 /nfs/dbraw/zinc/67/73/22/1046677322.db2.gz XIBDBCVEQMCYHW-UHFFFAOYSA-N 0 0 319.408 4.158 20 10 DICDRN C[C@@H](Nc1ccc(N(C)C)c(Cl)c1)c1cc(F)ccc1O ZINC000094617702 1046678150 /nfs/dbraw/zinc/67/81/50/1046678150.db2.gz VCCDSHKXPSTWFI-SNVBAGLBSA-N 0 0 308.784 4.424 20 10 DICDRN CC[C@H]([NH2+]CC(C)(C)c1ccccn1)c1cccc(Cl)c1[O-] ZINC000834851051 1046686063 /nfs/dbraw/zinc/68/60/63/1046686063.db2.gz SUWGEUUBSYNXJT-HNNXBMFYSA-N 0 0 318.848 4.459 20 10 DICDRN Cc1cc(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])ccn1 ZINC000834860771 1046688799 /nfs/dbraw/zinc/68/87/99/1046688799.db2.gz UCNJALFOHGVATI-SNVBAGLBSA-N 0 0 311.212 4.253 20 10 DICDRN C/C(=C/C1CCC(C)CC1)C(=O)N(C)Cc1ccccc1O ZINC001137345318 1046688899 /nfs/dbraw/zinc/68/88/99/1046688899.db2.gz CIOQPTKFSRWFQP-QINSGFPZSA-N 0 0 301.430 4.123 20 10 DICDRN CC[C@H]([NH2+]CCC(C)(C)CO)c1ccc(Cl)c(Cl)c1[O-] ZINC000834870650 1046690662 /nfs/dbraw/zinc/69/06/62/1046690662.db2.gz JWGJAYPRYIJPKD-LBPRGKRZSA-N 0 0 320.260 4.148 20 10 DICDRN CC[C@@H]([NH2+]C[C@H](C)CCCO)c1ccc(Cl)c(Cl)c1[O-] ZINC000834871012 1046692165 /nfs/dbraw/zinc/69/21/65/1046692165.db2.gz MIRIULQWHOBAGY-ZWNOBZJWSA-N 0 0 320.260 4.148 20 10 DICDRN Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCO[C@H](C(C)C)C2)c(O)c1 ZINC000834885200 1046698149 /nfs/dbraw/zinc/69/81/49/1046698149.db2.gz HRXWWOHCZSSHBV-BQFCYCMXSA-N 0 0 305.462 4.111 20 10 DICDRN CC[C@H]([NH2+]C[C@H]1CCO[C@@H](C(C)C)C1)c1ccc(F)cc1[O-] ZINC000834886534 1046700842 /nfs/dbraw/zinc/70/08/42/1046700842.db2.gz TWWJNYGZFPOVOV-QANKJYHBSA-N 0 0 309.425 4.023 20 10 DICDRN CCN(CC)c1ccc(CNc2ccc3c(c2)C[C@H](OC)C3)cc1 ZINC000784634833 1046702369 /nfs/dbraw/zinc/70/23/69/1046702369.db2.gz GXQWVRGNBJHMRV-OAQYLSRUSA-N 0 0 324.468 4.259 20 10 DICDRN C[C@H]([NH2+]CC[C@]1(C)CC1(Cl)Cl)c1cc(F)cc(F)c1[O-] ZINC000834894684 1046705182 /nfs/dbraw/zinc/70/51/82/1046705182.db2.gz UALJNOPMQAXKDF-ISVAXAHUSA-N 0 0 324.198 4.295 20 10 DICDRN CC[C@H](Nc1cccc(CCO)c1)c1cc(Cl)ccc1O ZINC000834911216 1046717972 /nfs/dbraw/zinc/71/79/72/1046717972.db2.gz IDOJOCOJWHUWLT-INIZCTEOSA-N 0 0 305.805 4.144 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)c1ccc(F)cc1[O-] ZINC000796695262 1046718105 /nfs/dbraw/zinc/71/81/05/1046718105.db2.gz OESNXKMWXCINIG-XZJROXQQSA-N 0 0 303.377 4.489 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc(SC)cc1)c1ccc(F)cc1[O-] ZINC000796704568 1046720987 /nfs/dbraw/zinc/72/09/87/1046720987.db2.gz PMZNJYGKVCTOQC-INIZCTEOSA-N 0 0 305.418 4.494 20 10 DICDRN CC[C@@H](Nc1cccc(CCO)c1)c1cccc(Cl)c1O ZINC000834913402 1046721749 /nfs/dbraw/zinc/72/17/49/1046721749.db2.gz OYXPSOFMZQPJHQ-MRXNPFEDSA-N 0 0 305.805 4.144 20 10 DICDRN CC[C@@H]([NH2+][C@H]1CCCOc2ccccc21)c1ccc(F)cc1[O-] ZINC000796735737 1046724176 /nfs/dbraw/zinc/72/41/76/1046724176.db2.gz FHQDNBSMLWYLDT-SJORKVTESA-N 0 0 315.388 4.486 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)c1cnn(C(C)C)c1)c1ccc(F)cc1[O-] ZINC000796758595 1046729105 /nfs/dbraw/zinc/72/91/05/1046729105.db2.gz DMEPKKVBCSANCK-MLGOLLRUSA-N 0 0 305.397 4.111 20 10 DICDRN CC[C@@H]([NH2+]C[C@H]1CCOc2ccccc21)c1ccc(F)cc1[O-] ZINC000796760064 1046729492 /nfs/dbraw/zinc/72/94/92/1046729492.db2.gz KIZCIYMVOJFGDW-CXAGYDPISA-N 0 0 315.388 4.138 20 10 DICDRN CC[C@H]([NH2+][C@@H](CC)c1ccc(F)cc1[O-])c1c(C)nn(C)c1C ZINC000796778947 1046733144 /nfs/dbraw/zinc/73/31/44/1046733144.db2.gz AKLWMUOCCMTXGP-HOTGVXAUSA-N 0 0 319.424 4.074 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)Cc1cccc(OC)c1)c1ccc(F)cc1[O-] ZINC000796823625 1046739774 /nfs/dbraw/zinc/73/97/74/1046739774.db2.gz BJNCPZANBVPPEA-FZKQIMNGSA-N 0 0 317.404 4.212 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccc(OC)cc1C)c1ccc(F)cc1[O-] ZINC000796833729 1046742484 /nfs/dbraw/zinc/74/24/84/1046742484.db2.gz YMLJJBPQRFLGEE-QGZVFWFLSA-N 0 0 303.377 4.089 20 10 DICDRN CC[C@@H]([NH2+][C@H]1COc2ccc(C)cc21)c1ccc(F)cc1[O-] ZINC000796833005 1046742896 /nfs/dbraw/zinc/74/28/96/1046742896.db2.gz VRDJWVYKRRHJDY-CVEARBPZSA-N 0 0 301.361 4.014 20 10 DICDRN CC[C@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)c1ccc(F)cc1[O-] ZINC000796836458 1046743435 /nfs/dbraw/zinc/74/34/35/1046743435.db2.gz YPOINUFUBOEORF-RDJZCZTQSA-N 0 0 309.425 4.167 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccc(OC)c(Cl)c1)c1ccc(F)cc1[O-] ZINC000796831985 1046743552 /nfs/dbraw/zinc/74/35/52/1046743552.db2.gz KNVAYNOKQKKFRY-OAHLLOKOSA-N 0 0 323.795 4.434 20 10 DICDRN CC[C@H]([NH2+][C@H](c1cccnc1)C1CC1)c1ccc(F)cc1[O-] ZINC000796844008 1046744753 /nfs/dbraw/zinc/74/47/53/1046744753.db2.gz CUQAKJBGLWYNRF-WMZOPIPTSA-N 0 0 300.377 4.118 20 10 DICDRN CC[C@@H]([NH2+][C@H](c1cccnc1)C1CC1)c1ccc(F)cc1[O-] ZINC000796844005 1046745288 /nfs/dbraw/zinc/74/52/88/1046745288.db2.gz CUQAKJBGLWYNRF-AEFFLSMTSA-N 0 0 300.377 4.118 20 10 DICDRN CC[C@H](Nc1ccc(OCCOC)cc1)c1ccc(F)cc1O ZINC000796868173 1046748090 /nfs/dbraw/zinc/74/80/90/1046748090.db2.gz GQLOPCZPLSXVEF-KRWDZBQOSA-N 0 0 319.376 4.120 20 10 DICDRN CC[C@H](Nc1ccc2c(c1)OCCCO2)c1ccc(F)cc1O ZINC000796860969 1046748942 /nfs/dbraw/zinc/74/89/42/1046748942.db2.gz ZGZYMTKVNLTPNT-HNNXBMFYSA-N 0 0 317.360 4.256 20 10 DICDRN CC[C@@H]([NH2+]C1(c2ccc(OC)cc2)CC1)c1ccc(F)cc1[O-] ZINC000796879249 1046751647 /nfs/dbraw/zinc/75/16/47/1046751647.db2.gz OEQONFQGYKNTBW-QGZVFWFLSA-N 0 0 315.388 4.270 20 10 DICDRN C[C@H]1c2ccsc2CC[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000835084539 1046755632 /nfs/dbraw/zinc/75/56/32/1046755632.db2.gz ODKBAFZQIDDKCB-LBPRGKRZSA-N 0 0 310.422 4.121 20 10 DICDRN CC[C@H](Nc1cc(F)cc(F)c1OC)c1ccc(F)cc1O ZINC000796918630 1046759508 /nfs/dbraw/zinc/75/95/08/1046759508.db2.gz MKPGPGODWNLTEE-ZDUSSCGKSA-N 0 0 311.303 4.381 20 10 DICDRN CC[C@@H](Nc1cnn([C@@H](C)C2CC2)c1)c1ccc(F)cc1O ZINC000796955228 1046763455 /nfs/dbraw/zinc/76/34/55/1046763455.db2.gz VHTNPXSDKIKRRW-MEDUHNTESA-N 0 0 303.381 4.262 20 10 DICDRN CC[C@H]([NH2+][C@H]1CSc2ccccc21)c1ccc(F)cc1[O-] ZINC000796780434 1046767174 /nfs/dbraw/zinc/76/71/74/1046767174.db2.gz RIQSSNSIZCYGAX-GJZGRUSLSA-N 0 0 303.402 4.419 20 10 DICDRN CC[C@@H]([NH2+][C@@H](CC)c1ccc(F)cc1[O-])c1c(C)nn(C)c1C ZINC000796778952 1046767814 /nfs/dbraw/zinc/76/78/14/1046767814.db2.gz AKLWMUOCCMTXGP-JKSUJKDBSA-N 0 0 319.424 4.074 20 10 DICDRN Cc1cccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000302769884 1046801804 /nfs/dbraw/zinc/80/18/04/1046801804.db2.gz VZIHLWWNAWEQMS-UHFFFAOYSA-N 0 0 322.452 4.258 20 10 DICDRN Cc1ccc(O)c(C[N@H+](Cc2ccccc2)Cc2ccccn2)c1 ZINC001140617456 1046813353 /nfs/dbraw/zinc/81/33/53/1046813353.db2.gz OXEVQTGDTVPDCW-UHFFFAOYSA-N 0 0 318.420 4.298 20 10 DICDRN CC[C@@H](C)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000303057302 1046856648 /nfs/dbraw/zinc/85/66/48/1046856648.db2.gz KWBYREDCUWMOQC-OAHLLOKOSA-N 0 0 302.462 4.118 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)c1cc(C)c(CC)s1 ZINC000303089998 1046867558 /nfs/dbraw/zinc/86/75/58/1046867558.db2.gz CXVFPYLGKCVZMW-UHFFFAOYSA-N 0 0 317.454 4.377 20 10 DICDRN CSc1ccc(CC[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000797999984 1046917812 /nfs/dbraw/zinc/91/78/12/1046917812.db2.gz ZWNYJTZBGZFHQB-NSHDSACASA-N 0 0 323.408 4.286 20 10 DICDRN CC[C@@H]1C[C@H]1NC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000798120241 1046930920 /nfs/dbraw/zinc/93/09/20/1046930920.db2.gz DBFNRXCLTRWFDY-RHSMWYFYSA-N 0 0 316.445 4.035 20 10 DICDRN C[C@H]1CN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCO1 ZINC000836190798 1046933404 /nfs/dbraw/zinc/93/34/04/1046933404.db2.gz ARCVYLAETFMGDM-AWEZNQCLSA-N 0 0 324.384 4.355 20 10 DICDRN C[C@@H]([NH2+]Cc1cccs1)c1cccc(C(F)(F)F)c1[O-] ZINC000798179771 1046933288 /nfs/dbraw/zinc/93/32/88/1046933288.db2.gz MPZUXDLZAJEXKH-SECBINFHSA-N 0 0 301.333 4.323 20 10 DICDRN CN(C)c1ccc(C[NH+]2CCC(C(F)(F)F)CC2)c(Cl)c1 ZINC001140922622 1046951471 /nfs/dbraw/zinc/95/14/71/1046951471.db2.gz WTBVDEXOGBZSEU-UHFFFAOYSA-N 0 0 320.786 4.180 20 10 DICDRN Cc1ccc(C[N@H+](Cc2ccccc2)Cc2ccncc2)c(O)c1 ZINC001140948022 1046957641 /nfs/dbraw/zinc/95/76/41/1046957641.db2.gz PYFITORFKLQFBJ-UHFFFAOYSA-N 0 0 318.420 4.298 20 10 DICDRN Cc1ccc(C[N@@H+](C)Cc2ccccc2Br)c(O)c1 ZINC001140948731 1046958175 /nfs/dbraw/zinc/95/81/75/1046958175.db2.gz XWQBIXHFOYIRMA-UHFFFAOYSA-N 0 0 320.230 4.095 20 10 DICDRN Cc1ccc(C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)c(O)c1 ZINC001140948539 1046958546 /nfs/dbraw/zinc/95/85/46/1046958546.db2.gz MTMXIFLZQFPQLR-OAQYLSRUSA-N 0 0 318.420 4.107 20 10 DICDRN c1cc(N2CCCC2)ccc1OCCCCC1CCOCC1 ZINC000799175880 1047005705 /nfs/dbraw/zinc/00/57/05/1047005705.db2.gz URKAXTGXRHFXCI-UHFFFAOYSA-N 0 0 303.446 4.263 20 10 DICDRN CN(Cc1cc(O)ccc1O)Cc1c(Cl)cccc1Cl 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COC(=O)c1cnc(S[C@H]2CCCCc3ccccc32)s1 ZINC001166227480 1048740893 /nfs/dbraw/zinc/74/08/93/1048740893.db2.gz IRDWMKCNBDDRED-ZDUSSCGKSA-N 0 0 319.451 4.490 20 10 DICDRN CCOc1ccc(OCCSc2ncc(Cl)s2)cc1 ZINC001166587561 1048767022 /nfs/dbraw/zinc/76/70/22/1048767022.db2.gz QEUKOWULNQHVGU-UHFFFAOYSA-N 0 0 315.847 4.366 20 10 DICDRN Cc1ccc(/C=C/CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775401984 1048767895 /nfs/dbraw/zinc/76/78/95/1048767895.db2.gz AEMCKQSGUONQHJ-RTRPANQVSA-N 0 0 322.452 4.342 20 10 DICDRN Cc1ccc2[nH]c(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cc2c1 ZINC000775406322 1048779960 /nfs/dbraw/zinc/77/99/60/1048779960.db2.gz XARXOYLKFADLBL-AWEZNQCLSA-N 0 0 321.424 4.033 20 10 DICDRN Cc1ccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000775406417 1048780139 /nfs/dbraw/zinc/78/01/39/1048780139.db2.gz QOXCFMNGDVPFMX-HNNXBMFYSA-N 0 0 311.429 4.252 20 10 DICDRN Cc1ccc2[nH]c(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)cc2c1 ZINC000775406323 1048780365 /nfs/dbraw/zinc/78/03/65/1048780365.db2.gz XARXOYLKFADLBL-CQSZACIVSA-N 0 0 321.424 4.033 20 10 DICDRN COc1ccc(Cl)cc1C[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000008197457 1048822736 /nfs/dbraw/zinc/82/27/36/1048822736.db2.gz YJJWTVWRSSGJBK-UHFFFAOYSA-N 0 0 319.832 4.303 20 10 DICDRN C[C@H](NC(=O)NCCC1=CCCCC1)c1ccc(N(C)C)cc1 ZINC000773611159 1048831121 /nfs/dbraw/zinc/83/11/21/1048831121.db2.gz HFQPCOQCGKTAQV-HNNXBMFYSA-N 0 0 315.461 4.003 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCCCc1ccccc1 ZINC001177158433 1048840726 /nfs/dbraw/zinc/84/07/26/1048840726.db2.gz USVOYAJFPBBGAF-UHFFFAOYSA-N 0 0 307.796 4.297 20 10 DICDRN CC(C)C[C@H]1CCCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773624511 1048846557 /nfs/dbraw/zinc/84/65/57/1048846557.db2.gz NNPWTAVGZHLIDO-CRAIPNDOSA-N 0 0 317.477 4.034 20 10 DICDRN CCC[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773622514 1048847077 /nfs/dbraw/zinc/84/70/77/1048847077.db2.gz FHFJMEFZUDAKHH-HZPDHXFCSA-N 0 0 317.477 4.035 20 10 DICDRN Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001177308573 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ZINC001177683857 1048931174 /nfs/dbraw/zinc/93/11/74/1048931174.db2.gz YSFMEIDOVSCNIW-UHFFFAOYSA-N 0 0 311.759 4.046 20 10 DICDRN COCC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203581003 1048934661 /nfs/dbraw/zinc/93/46/61/1048934661.db2.gz YDPMJWULRUOWCA-ZDUSSCGKSA-N 0 0 318.244 4.090 20 10 DICDRN CC[N@H+](Cc1cccnc1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203579982 1048934724 /nfs/dbraw/zinc/93/47/24/1048934724.db2.gz HYJVMLCVEGIUBE-UHFFFAOYSA-N 0 0 311.212 4.116 20 10 DICDRN Cc1ccc(/C=C/C(=O)N2CC(C)(C)Sc3ccccc32)cn1 ZINC001126984181 1048942590 /nfs/dbraw/zinc/94/25/90/1048942590.db2.gz TZBLQTQQUFVZDD-ZHACJKMWSA-N 0 0 324.449 4.321 20 10 DICDRN Cc1ccc(C[N@@H+](C)Cc2cc(Br)ccc2O)cc1 ZINC001203642901 1048944583 /nfs/dbraw/zinc/94/45/83/1048944583.db2.gz PUSPLTYVXCICNZ-UHFFFAOYSA-N 0 0 320.230 4.095 20 10 DICDRN CC(C)CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C(C)(C)C ZINC001177874959 1048949571 /nfs/dbraw/zinc/94/95/71/1048949571.db2.gz CHCOJOSCGKQXGP-INIZCTEOSA-N 0 0 308.422 4.241 20 10 DICDRN C[C@H](CCC1CCCCC1)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001177844732 1048954816 /nfs/dbraw/zinc/95/48/16/1048954816.db2.gz UNMKZWOCCNOLIN-CYBMUJFWSA-N 0 0 306.406 4.139 20 10 DICDRN Cc1cnc(C)c(Nc2ccccc2C(=O)c2ccncc2)c1 ZINC001203668144 1048956673 /nfs/dbraw/zinc/95/66/73/1048956673.db2.gz AYVZIHANFVWDGA-UHFFFAOYSA-N 0 0 303.365 4.068 20 10 DICDRN COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)c1 ZINC001203684097 1048962669 /nfs/dbraw/zinc/96/26/69/1048962669.db2.gz MUROKQQNAXWBMB-QGZVFWFLSA-N 0 0 319.351 4.016 20 10 DICDRN Cc1ncsc1/C=C/C(=O)N(C)c1ccc2ccccc2c1 ZINC000776745611 1048976003 /nfs/dbraw/zinc/97/60/03/1048976003.db2.gz ZMKAWPUGHNSIII-MDZDMXLPSA-N 0 0 308.406 4.281 20 10 DICDRN Cc1cc(C)c(CNC(=O)Nc2ccc(Cl)c(C)c2)c(O)c1 ZINC001191783254 1048998368 /nfs/dbraw/zinc/99/83/68/1048998368.db2.gz GNMHKLLHZNVVLV-UHFFFAOYSA-N 0 0 318.804 4.293 20 10 DICDRN CCN(Cc1cccc2c1OC(F)(F)O2)c1ccc(OC)cc1 ZINC001191838532 1049011137 /nfs/dbraw/zinc/01/11/37/1049011137.db2.gz 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[O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CSc2ccccc21 ZINC000824482706 1050212987 /nfs/dbraw/zinc/21/29/87/1050212987.db2.gz CTEMYOOBZFNONZ-NSHDSACASA-N 0 0 323.820 4.164 20 10 DICDRN CC[C@H](CC1CCCC1)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000734092693 1050218693 /nfs/dbraw/zinc/21/86/93/1050218693.db2.gz XKCUKTGDQXDONG-UKRRQHHQSA-N 0 0 319.445 4.185 20 10 DICDRN Cc1ccc2oc(NCc3ccc(N4CCCC4)cc3)nc2c1 ZINC000734141092 1050231434 /nfs/dbraw/zinc/23/14/34/1050231434.db2.gz FEQBWENJIURBEK-UHFFFAOYSA-N 0 0 307.397 4.349 20 10 DICDRN Cc1ccc2oc(NCc3ccc4c(c3)CCCN4C)nc2c1 ZINC000734140914 1050232338 /nfs/dbraw/zinc/23/23/38/1050232338.db2.gz FYIACCLSRGNOFD-UHFFFAOYSA-N 0 0 307.397 4.131 20 10 DICDRN Cc1ccc(NCc2ccc(N(C)C)c(F)c2)cc1OC(F)F ZINC000734163218 1050235376 /nfs/dbraw/zinc/23/53/76/1050235376.db2.gz CMIZNLKPACGMIA-UHFFFAOYSA-N 0 0 324.346 4.414 20 10 DICDRN COc1cc(O)c(CNc2ccccc2C(C)(F)F)cc1OC ZINC000824721315 1050237328 /nfs/dbraw/zinc/23/73/28/1050237328.db2.gz DCQICILXZYZKOP-UHFFFAOYSA-N 0 0 323.339 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Cc1ccc(Br)cc1NCc1cc(F)ccc1O ZINC000226580379 1050487707 /nfs/dbraw/zinc/48/77/07/1050487707.db2.gz OKFODOCSDDJKOV-UHFFFAOYSA-N 0 0 310.166 4.214 20 10 DICDRN Cc1oc(-c2ccsc2)nc1COc1ccc(N(C)C)cc1 ZINC000786866823 1050524251 /nfs/dbraw/zinc/52/42/51/1050524251.db2.gz XLDNTKZOJVLLIB-UHFFFAOYSA-N 0 0 314.410 4.357 20 10 DICDRN COc1cc(C)cc(N[C@H](C)c2cc(F)cc(F)c2O)c1C ZINC000786952231 1050529154 /nfs/dbraw/zinc/52/91/54/1050529154.db2.gz UPPNXRMJYAVSLO-LLVKDONJSA-N 0 0 307.340 4.469 20 10 DICDRN Cc1ccc([N+](=O)[O-])cc1Nc1nc(-c2ccncc2)cs1 ZINC001211285167 1050536925 /nfs/dbraw/zinc/53/69/25/1050536925.db2.gz SNMJLWMUNYIKGH-UHFFFAOYSA-N 0 0 312.354 4.165 20 10 DICDRN C[C@H](C(=O)NCCCSc1nccs1)[C@H](C)C(C)(C)C ZINC001144322368 1050542389 /nfs/dbraw/zinc/54/23/89/1050542389.db2.gz PMZXAZYXPWJULO-RYUDHWBXSA-N 0 0 314.520 4.060 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCCCS1 ZINC000158108462 1050567423 /nfs/dbraw/zinc/56/74/23/1050567423.db2.gz VOPMZSRITJHAMT-LLVKDONJSA-N 0 0 306.258 4.074 20 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ZINC000773010471 1051021534 /nfs/dbraw/zinc/02/15/34/1051021534.db2.gz AJMUCUJUQWINSS-QRWLVFNGSA-N 0 0 322.452 4.124 20 10 DICDRN Cc1cc(O)c(CN(Cc2ccccc2)CC(F)F)cc1C ZINC000743397602 1051024265 /nfs/dbraw/zinc/02/42/65/1051024265.db2.gz OMZNMBYGPCXCNA-UHFFFAOYSA-N 0 0 305.368 4.276 20 10 DICDRN C[C@@H](NC(=O)c1cc(F)cc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000773016943 1051024927 /nfs/dbraw/zinc/02/49/27/1051024927.db2.gz DZOPDDKMTNHAFB-LLVKDONJSA-N 0 0 320.795 4.036 20 10 DICDRN C[C@H](NC(=O)c1ccc(Cl)c(F)c1)c1ccc(N(C)C)cc1 ZINC000773018248 1051024956 /nfs/dbraw/zinc/02/49/56/1051024956.db2.gz YKDYGXORMLIMFD-NSHDSACASA-N 0 0 320.795 4.036 20 10 DICDRN C[C@H](CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000773016933 1051025445 /nfs/dbraw/zinc/02/54/45/1051025445.db2.gz DWKVZWOWECHSKB-CVEARBPZSA-N 0 0 310.441 4.124 20 10 DICDRN C[C@@H](NC(=O)c1ccc(Cl)c(F)c1)c1ccc(N(C)C)cc1 ZINC000773018246 1051025460 /nfs/dbraw/zinc/02/54/60/1051025460.db2.gz YKDYGXORMLIMFD-LLVKDONJSA-N 0 0 320.795 4.036 20 10 DICDRN Cc1ccccc1[C@@H](C)CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773020904 1051026247 /nfs/dbraw/zinc/02/62/47/1051026247.db2.gz YAGRAQQXVHNFJH-IRXDYDNUSA-N 0 0 324.468 4.432 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCCC[C@H]1C ZINC000791124784 1051027274 /nfs/dbraw/zinc/02/72/74/1051027274.db2.gz VNDULYDFGXHOSW-GFCCVEGCSA-N 0 0 302.443 4.170 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](CC)c1ccccc1 ZINC000791139567 1051031793 /nfs/dbraw/zinc/03/17/93/1051031793.db2.gz LBBHILVNSGEDMH-SFHVURJKSA-N 0 0 311.425 4.325 20 10 DICDRN C[C@H](CC(=O)NCc1c(O)ccc2c1CCCC2)c1ccccc1 ZINC000743717185 1051058601 /nfs/dbraw/zinc/05/86/01/1051058601.db2.gz IARMIDCTSBMMAS-OAHLLOKOSA-N 0 0 323.436 4.081 20 10 DICDRN O=C(Nc1ccc(OC2CCCC2)c(F)c1)C1=CC(=O)CS1 ZINC000743720049 1051058945 /nfs/dbraw/zinc/05/89/45/1051058945.db2.gz LHCFFNBEFOIMGB-UHFFFAOYSA-N 0 0 321.373 4.167 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CCC1CC1 ZINC000747039680 1051077355 /nfs/dbraw/zinc/07/73/55/1051077355.db2.gz ROYPFZGUQNAEGS-UHFFFAOYSA-N 0 0 302.443 4.028 20 10 DICDRN CC(C)Oc1ccc(NCc2cc3ccccc3cc2O)nc1 ZINC001171400247 1051087053 /nfs/dbraw/zinc/08/70/53/1051087053.db2.gz QCNNQYNXAKCGLU-UHFFFAOYSA-N 0 0 308.381 4.340 20 10 DICDRN Oc1cc2ccccc2cc1CNc1nccc(-c2ccco2)n1 ZINC001171400253 1051087462 /nfs/dbraw/zinc/08/74/62/1051087462.db2.gz QGQYWBTUSSITRQ-UHFFFAOYSA-N 0 0 317.348 4.208 20 10 DICDRN Oc1cc2ccccc2cc1CNc1nncc2cc(F)ccc21 ZINC001171400589 1051087839 /nfs/dbraw/zinc/08/78/39/1051087839.db2.gz WHUZIDCXMGVQES-UHFFFAOYSA-N 0 0 319.339 4.240 20 10 DICDRN CC(C)(C)c1ccc(-c2noc(-c3cccc(O)c3O)n2)cc1 ZINC001215145713 1051088694 /nfs/dbraw/zinc/08/86/94/1051088694.db2.gz DVULXIIOJZWQGL-UHFFFAOYSA-N 0 0 310.353 4.112 20 10 DICDRN Cc1cc2cc(NCc3cc4ccccc4cc3O)ncc2[nH]1 ZINC001171402427 1051088884 /nfs/dbraw/zinc/08/88/84/1051088884.db2.gz LAFFTASUCSKOFJ-UHFFFAOYSA-N 0 0 303.365 4.342 20 10 DICDRN Oc1cc2ccccc2cc1CNc1ccc2ncsc2n1 ZINC001171403157 1051091135 /nfs/dbraw/zinc/09/11/35/1051091135.db2.gz ZRRUQNMOMPWVFQ-UHFFFAOYSA-N 0 0 307.378 4.162 20 10 DICDRN O=c1cc(NCc2cc3ccccc3cc2O)ccn1C1CCC1 ZINC001171407727 1051095315 /nfs/dbraw/zinc/09/53/15/1051095315.db2.gz VVGFZHCSLOQNIC-UHFFFAOYSA-N 0 0 320.392 4.044 20 10 DICDRN CC(C)Oc1cccnc1NCc1cc2ccccc2cc1O ZINC001171407106 1051095614 /nfs/dbraw/zinc/09/56/14/1051095614.db2.gz VUVBDGWLNVVECL-UHFFFAOYSA-N 0 0 308.381 4.340 20 10 DICDRN Cn1ccc2ncc(NCc3cc4ccccc4cc3O)cc21 ZINC001171408029 1051095911 /nfs/dbraw/zinc/09/59/11/1051095911.db2.gz ZQJKOIRHFDDEIK-UHFFFAOYSA-N 0 0 303.365 4.044 20 10 DICDRN Oc1cc2ccccc2cc1CNc1ccnc2ncccc12 ZINC001171407656 1051096051 /nfs/dbraw/zinc/09/60/51/1051096051.db2.gz RWWQFJQXUYBZOX-UHFFFAOYSA-N 0 0 301.349 4.101 20 10 DICDRN COc1ccc(O)c(CNc2ccc(SC(F)F)cc2)c1 ZINC000036919380 1051101569 /nfs/dbraw/zinc/10/15/69/1051101569.db2.gz OJFQGLVRZGYPNL-UHFFFAOYSA-N 0 0 311.353 4.328 20 10 DICDRN C[C@@H](Cc1cccs1)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000036993026 1051105971 /nfs/dbraw/zinc/10/59/71/1051105971.db2.gz LOCDEFKMBVYZMX-VIFPVBQESA-N 0 0 316.253 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/nfs/dbraw/zinc/28/08/58/1051280858.db2.gz PWIZBPDDWOBABQ-OAHLLOKOSA-N 0 0 318.244 4.090 20 10 DICDRN CN(Cc1ccccc1O)C(=O)N[C@H](CC1CC1)c1ccccc1 ZINC000745873448 1051289692 /nfs/dbraw/zinc/28/96/92/1051289692.db2.gz IIVBKFHMVKEZFZ-GOSISDBHSA-N 0 0 324.424 4.075 20 10 DICDRN CCN(Cc1nc(-c2ccccc2C)no1)c1ccc(OC)cc1 ZINC000746109292 1051322945 /nfs/dbraw/zinc/32/29/45/1051322945.db2.gz OJRYNTFYGRFURV-UHFFFAOYSA-N 0 0 323.396 4.080 20 10 DICDRN COc1cncc(N(c2ccccc2)c2ccc(N)cc2)c1C ZINC001215735263 1051333459 /nfs/dbraw/zinc/33/34/59/1051333459.db2.gz BHRCJPKSEIKLCQ-UHFFFAOYSA-N 0 0 305.381 4.451 20 10 DICDRN CC1(C)CC(CC(=O)NCc2ccc(N3CCCCC3)cc2)C1 ZINC000794254132 1051364106 /nfs/dbraw/zinc/36/41/06/1051364106.db2.gz HTUFQGGOSLJBPN-UHFFFAOYSA-N 0 0 314.473 4.119 20 10 DICDRN Cc1cc(OCc2ccccc2)ncc1N(C)c1ccc(N)cc1 ZINC001215780037 1051365159 /nfs/dbraw/zinc/36/51/59/1051365159.db2.gz XDROPKYYONMRJK-UHFFFAOYSA-N 0 0 319.408 4.319 20 10 DICDRN CC[C@H](CC1CCCCC1)C(=O)NCc1ccc(OC)cc1O ZINC000794391181 1051373451 /nfs/dbraw/zinc/37/34/51/1051373451.db2.gz UYLUBYSZJQULKT-OAHLLOKOSA-N 0 0 319.445 4.014 20 10 DICDRN COc1cnc(F)cc1N(Cc1ccccc1)c1ccc(N)cc1 ZINC001215808048 1051384605 /nfs/dbraw/zinc/38/46/05/1051384605.db2.gz CCKHTDXOBQVYKI-UHFFFAOYSA-N 0 0 323.371 4.150 20 10 DICDRN c1csc(SCCCNc2nccc3sccc32)n1 ZINC000746461378 1051428907 /nfs/dbraw/zinc/42/89/07/1051428907.db2.gz VQXWYTSRILSCOD-UHFFFAOYSA-N 0 0 307.469 4.347 20 10 DICDRN C[C@@H](Nc1ccnc2cc(F)cnc21)c1ccc(N(C)C)cc1 ZINC000804621885 1051496883 /nfs/dbraw/zinc/49/68/83/1051496883.db2.gz JVOVCSIBKMNSIM-GFCCVEGCSA-N 0 0 310.376 4.008 20 10 DICDRN Nc1ccc(N(CCO)c2ccc(F)c(-c3ccccc3)c2)cc1 ZINC001215995132 1051512284 /nfs/dbraw/zinc/51/22/84/1051512284.db2.gz CSBVRXXSIKURDO-UHFFFAOYSA-N 0 0 322.383 4.205 20 10 DICDRN Cc1c(Cl)cccc1-c1noc(-c2nnsc2C(C)C)n1 ZINC001212687525 1051533569 /nfs/dbraw/zinc/53/35/69/1051533569.db2.gz XYNAAZZQOYIHDK-UHFFFAOYSA-N 0 0 320.805 4.340 20 10 DICDRN CC(C)Oc1ccc(N(C)C[C@@H](O)[C@@H](C)c2ccccc2)cc1 ZINC001169253478 1051564129 /nfs/dbraw/zinc/56/41/29/1051564129.db2.gz UWDPKBHAIWXGFS-OXJNMPFZSA-N 0 0 313.441 4.075 20 10 DICDRN Cc1cc(Nc2ccccc2C(=O)c2ccncc2)cc(O)c1F ZINC001216084034 1051571500 /nfs/dbraw/zinc/57/15/00/1051571500.db2.gz ZBPURPLJSXAZEX-UHFFFAOYSA-N 0 0 322.339 4.209 20 10 DICDRN Cc1cc(CC(=O)N2CC[C@@H](C)C[C@H]2C)c(C)n1-c1ccccc1 ZINC001129958170 1051572728 /nfs/dbraw/zinc/57/27/28/1051572728.db2.gz RIFFDFGJCYRYCR-HZPDHXFCSA-N 0 0 324.468 4.284 20 10 DICDRN Cc1cc(C)cc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC001129974765 1051582742 /nfs/dbraw/zinc/58/27/42/1051582742.db2.gz RQVZMXYDDVTXSH-QGZVFWFLSA-N 0 0 324.468 4.039 20 10 DICDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C[C@@H](C)CC(C)C ZINC001129974433 1051583321 /nfs/dbraw/zinc/58/33/21/1051583321.db2.gz PGUGQBPGJHQOFD-RDJZCZTQSA-N 0 0 318.505 4.181 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1scnc1C ZINC000761541831 1051591057 /nfs/dbraw/zinc/59/10/57/1051591057.db2.gz OFYJYPOYYPSPRD-UHFFFAOYSA-N 0 0 317.439 4.173 20 10 DICDRN Cc1ccc(N(CCO)c2ccc(N)cc2)cc1-c1ccccc1 ZINC001216148033 1051603226 /nfs/dbraw/zinc/60/32/26/1051603226.db2.gz OJLJNOGDTGSMMR-UHFFFAOYSA-N 0 0 318.420 4.375 20 10 DICDRN CCCN(C(=O)Cc1cc(C)n(-c2ccccc2)c1C)C(C)C ZINC001130247671 1051652245 /nfs/dbraw/zinc/65/22/45/1051652245.db2.gz OOFHENGTKPYTAN-UHFFFAOYSA-N 0 0 312.457 4.284 20 10 DICDRN O=C(c1ccccc1)c1ccccc1Nc1ccc(CO)cc1F ZINC001216273184 1051668778 /nfs/dbraw/zinc/66/87/78/1051668778.db2.gz KWJJECADWSQZFF-UHFFFAOYSA-N 0 0 321.351 4.293 20 10 DICDRN COc1c(O)cccc1Nc1ccccc1Cc1ccc(N)cc1 ZINC001216351068 1051713779 /nfs/dbraw/zinc/71/37/79/1051713779.db2.gz JUMSSKMQWUKKNN-UHFFFAOYSA-N 0 0 320.392 4.317 20 10 DICDRN CCC/C=C\C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC001169944343 1051731728 /nfs/dbraw/zinc/73/17/28/1051731728.db2.gz SZMFVVUKVMOVHG-GHXNOFRVSA-N 0 0 310.441 4.109 20 10 DICDRN CC[C@H]([NH2+]C[C@@H]1CCCCO1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806133693 1051733565 /nfs/dbraw/zinc/73/35/65/1051733565.db2.gz CAZXGVJKHRWIRL-FZMZJTMJSA-N 0 0 318.244 4.309 20 10 DICDRN CC[C@@H]([NH2+]C[C@H](O)c1ccc(C)cc1)c1cccc(Cl)c1[O-] ZINC000806133270 1051734772 /nfs/dbraw/zinc/73/47/72/1051734772.db2.gz KQGBNRWQXYHCBN-SJORKVTESA-N 0 0 319.832 4.128 20 10 DICDRN CC[C@@H]([NH2+]CC(O)(CC)CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806135146 1051735290 /nfs/dbraw/zinc/73/52/90/1051735290.db2.gz GXPVCAATZMYSQH-CYBMUJFWSA-N 0 0 320.260 4.291 20 10 DICDRN CC[C@H]([NH2+]C[C@H](O)CC(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806136008 1051735728 /nfs/dbraw/zinc/73/57/28/1051735728.db2.gz QPVIVRQAFAGNSF-RISCZKNCSA-N 0 0 320.260 4.147 20 10 DICDRN CC[C@@H]([NH2+]Cc1cc(C(C)C)no1)c1cccc(Cl)c1[O-] ZINC000806138750 1051740402 /nfs/dbraw/zinc/74/04/02/1051740402.db2.gz AVXIWWNFZHTPEU-CQSZACIVSA-N 0 0 308.809 4.398 20 10 DICDRN CC[C@H]([NH2+]CCSC(F)(F)F)c1cccc(Cl)c1[O-] ZINC000806130671 1051743138 /nfs/dbraw/zinc/74/31/38/1051743138.db2.gz CKEZUFXOGGYHFR-JTQLQIEISA-N 0 0 313.772 4.339 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(Cl)c1[O-] ZINC000806128666 1051743707 /nfs/dbraw/zinc/74/37/07/1051743707.db2.gz VNVUIVZBKSWDRE-QGZVFWFLSA-N 0 0 318.848 4.353 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(Cl)c1[O-] ZINC000806128665 1051744276 /nfs/dbraw/zinc/74/42/76/1051744276.db2.gz VNVUIVZBKSWDRE-KRWDZBQOSA-N 0 0 318.848 4.353 20 10 DICDRN CC[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1cccc(Cl)c1[O-] ZINC000806130302 1051744319 /nfs/dbraw/zinc/74/43/19/1051744319.db2.gz VDODVMDWSKOIBX-CJNGLKHVSA-N 0 0 317.816 4.090 20 10 DICDRN CC(C)SCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000806168240 1051744623 /nfs/dbraw/zinc/74/46/23/1051744623.db2.gz YFDODNPFRZENPT-SECBINFHSA-N 0 0 308.274 4.491 20 10 DICDRN CC[C@@H](Nc1cccc(C(=O)N(C)CC)c1)c1ccccc1O ZINC000806169362 1051745676 /nfs/dbraw/zinc/74/56/76/1051745676.db2.gz FEIFNAMLZKDYET-QGZVFWFLSA-N 0 0 312.413 4.047 20 10 DICDRN O=C(c1ccncc1)c1ccccc1Nc1cc(Cl)ccc1O ZINC001216401146 1051747152 /nfs/dbraw/zinc/74/71/52/1051747152.db2.gz DFEZGHSCFIEHCU-UHFFFAOYSA-N 0 0 324.767 4.415 20 10 DICDRN CC[C@@H]([NH2+]C[C@@](C)(O)CCC(C)C)c1cccc(Cl)c1[O-] ZINC000806141442 1051750015 /nfs/dbraw/zinc/75/00/15/1051750015.db2.gz SSWXYDZQKUZHBD-WBVHZDCISA-N 0 0 313.869 4.274 20 10 DICDRN CC[C@H]([NH2+][C@H](CO)c1ccccc1C)c1cccc(Cl)c1[O-] ZINC000806141310 1051750798 /nfs/dbraw/zinc/75/07/98/1051750798.db2.gz IHGXZSSBWDRRHI-DLBZAZTESA-N 0 0 319.832 4.128 20 10 DICDRN CC[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806144215 1051751737 /nfs/dbraw/zinc/75/17/37/1051751737.db2.gz PHMCIIMJZBHWDM-UKRRQHHQSA-N 0 0 318.244 4.309 20 10 DICDRN CC[C@H]([NH2+]Cc1ccccc1N(C)C)c1cccc(Cl)c1[O-] ZINC000806146082 1051752192 /nfs/dbraw/zinc/75/21/92/1051752192.db2.gz JPWBPVYEATWQHH-INIZCTEOSA-N 0 0 318.848 4.353 20 10 DICDRN CC[C@@H]([NH2+]CC(C)(C)OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806144116 1051752437 /nfs/dbraw/zinc/75/24/37/1051752437.db2.gz OEZZHFKVXHGSRJ-GFCCVEGCSA-N 0 0 306.233 4.165 20 10 DICDRN CC[C@H]([NH2+]CCOCc1ccccc1)c1cccc(Cl)c1[O-] ZINC000806143935 1051753074 /nfs/dbraw/zinc/75/30/74/1051753074.db2.gz XJZZPVKBPIBELE-KRWDZBQOSA-N 0 0 319.832 4.303 20 10 DICDRN CC[C@H]([NH2+][C@@H](CO)C1CCCCC1)c1cccc(Cl)c1[O-] ZINC000806147544 1051753905 /nfs/dbraw/zinc/75/39/05/1051753905.db2.gz KIQBYPIIBGMWAM-HOTGVXAUSA-N 0 0 311.853 4.028 20 10 DICDRN CC[C@@H]([NH2+]CC(C)(C)[C@@H](O)C(C)C)c1cccc(Cl)c1[O-] ZINC000806147979 1051754721 /nfs/dbraw/zinc/75/47/21/1051754721.db2.gz BQTRLGBBQBAFBV-ZBFHGGJFSA-N 0 0 313.869 4.129 20 10 DICDRN CC[C@@H]([NH2+]CCC[C@H](C)CO)c1cc(Cl)cc(Cl)c1[O-] ZINC000806150650 1051755222 /nfs/dbraw/zinc/75/52/22/1051755222.db2.gz XFUOIHNFJCNHAC-IINYFYTJSA-N 0 0 320.260 4.148 20 10 DICDRN CC[C@@H]([NH2+]C[C@H](C)c1c(C)noc1C)c1cccc(Cl)c1[O-] ZINC000806149036 1051755473 /nfs/dbraw/zinc/75/54/73/1051755473.db2.gz OSLXCULLBYWXPY-ZUZCIYMTSA-N 0 0 322.836 4.495 20 10 DICDRN CC[C@H]([NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1)c1cccc(Cl)c1[O-] ZINC000806157935 1051760356 /nfs/dbraw/zinc/76/03/56/1051760356.db2.gz CELDTTNXJNHHSD-CGTJXYLNSA-N 0 0 323.864 4.292 20 10 DICDRN CC[C@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)c1cccc(Cl)c1[O-] ZINC000806158958 1051761159 /nfs/dbraw/zinc/76/11/59/1051761159.db2.gz VBRBVXOLKBZRGD-KBPBESRZSA-N 0 0 311.853 4.432 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1cccc(Cl)c1[O-] ZINC000806158960 1051761813 /nfs/dbraw/zinc/76/18/13/1051761813.db2.gz VBRBVXOLKBZRGD-UONOGXRCSA-N 0 0 311.853 4.432 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)[C@@H](C)OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806161276 1051762993 /nfs/dbraw/zinc/76/29/93/1051762993.db2.gz JCYZWZQPHUDHHK-IGJMFERPSA-N 0 0 306.233 4.163 20 10 DICDRN CC[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cc(Cl)cc(Cl)c1[O-] ZINC000806161509 1051763345 /nfs/dbraw/zinc/76/33/45/1051763345.db2.gz QPRNRQIYVRKUJV-RDBSUJKOSA-N 0 0 318.244 4.043 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)[C@H](C)OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806161279 1051763624 /nfs/dbraw/zinc/76/36/24/1051763624.db2.gz JCYZWZQPHUDHHK-RVBZMBCESA-N 0 0 306.233 4.163 20 10 DICDRN CC[C@@H]([NH2+]CC1(C(F)(F)F)CC1)c1cccc(Cl)c1[O-] ZINC000806166588 1051766824 /nfs/dbraw/zinc/76/68/24/1051766824.db2.gz UKACODIZEROCDC-LLVKDONJSA-N 0 0 307.743 4.429 20 10 DICDRN Nc1ccc(Cc2ccc(Nc3cc(F)cc(CO)c3)cc2)cc1 ZINC001212749318 1051770525 /nfs/dbraw/zinc/77/05/25/1051770525.db2.gz ZJFJAZDCADNMLZ-UHFFFAOYSA-N 0 0 322.383 4.235 20 10 DICDRN CN(C(=O)c1ccc(Nc2ccc(N)cc2)cc1)c1ccccc1 ZINC001216471795 1051778086 /nfs/dbraw/zinc/77/80/86/1051778086.db2.gz CGLMMPSGXGNPFW-UHFFFAOYSA-N 0 0 317.392 4.289 20 10 DICDRN Cc1ccccc1-n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001173815320 1051793568 /nfs/dbraw/zinc/79/35/68/1051793568.db2.gz NEVIPOYVMJICCE-VBGCDCBSSA-N 0 0 303.369 4.263 20 10 DICDRN Nc1ccc(N(CCO)c2ccccc2-c2ccccc2)cc1 ZINC001173817249 1051795239 /nfs/dbraw/zinc/79/52/39/1051795239.db2.gz ODODCPSJWNWLBV-UHFFFAOYSA-N 0 0 304.393 4.066 20 10 DICDRN Nc1ccc(OC(=O)c2ccc(Nc3ccsc3)cc2)cc1 ZINC001173822855 1051803578 /nfs/dbraw/zinc/80/35/78/1051803578.db2.gz BDRQHLCTTOZIGQ-UHFFFAOYSA-N 0 0 310.378 4.293 20 10 DICDRN Cc1ccc(-n2c(=N)ccc(/N=N/c3ccccc3)c2N)cc1 ZINC001173802701 1051809341 /nfs/dbraw/zinc/80/93/41/1051809341.db2.gz XEFUOOGEJPNCJI-VBGCDCBSSA-N 0 0 303.369 4.263 20 10 DICDRN Cc1cc(NC(=O)N(C)Cc2ccccc2O)c(Cl)cc1F ZINC000806584383 1051816763 /nfs/dbraw/zinc/81/67/63/1051816763.db2.gz ZZOKZKOHCCVTMI-UHFFFAOYSA-N 0 0 322.767 4.157 20 10 DICDRN Nc1ccc(NC(=O)Nc2ccc(Nc3cccnc3)cc2)cc1 ZINC001173859036 1051831014 /nfs/dbraw/zinc/83/10/14/1051831014.db2.gz YTOMZPFBCDEFSY-UHFFFAOYSA-N 0 0 319.368 4.051 20 10 DICDRN CCCCCC[C@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000742040753 1051834870 /nfs/dbraw/zinc/83/48/70/1051834870.db2.gz SIDYNOMHLGQYKW-INIZCTEOSA-N 0 0 304.478 4.318 20 10 DICDRN C[C@@H](N[C@@H](C1CC1)C(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000806663524 1051843377 /nfs/dbraw/zinc/84/33/77/1051843377.db2.gz XLCWBOLJTVHGTK-HWPZZCPQSA-N 0 0 313.363 4.263 20 10 DICDRN CC[C@@H]([NH2+]CC1(CC)CCOCC1)c1cccc(Cl)c1[O-] ZINC000806143384 1051851038 /nfs/dbraw/zinc/85/10/38/1051851038.db2.gz UVQLZKRHGXXOBW-OAHLLOKOSA-N 0 0 311.853 4.293 20 10 DICDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1-c1cccc(F)c1 ZINC001173833038 1051851126 /nfs/dbraw/zinc/85/11/26/1051851126.db2.gz MFVKCLRXTWGBAT-YWTBVUPUSA-N 0 0 307.332 4.093 20 10 DICDRN COc1ccccc1Nc1ccccc1C(=O)c1ccncc1 ZINC001173840567 1051856474 /nfs/dbraw/zinc/85/64/74/1051856474.db2.gz DOKBOHQZYBWELN-UHFFFAOYSA-N 0 0 304.349 4.065 20 10 DICDRN C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000798182310 1051880561 /nfs/dbraw/zinc/88/05/61/1051880561.db2.gz RFXMCDDSXXHODS-USZNOCQGSA-N 0 0 317.351 4.018 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)C2=CCCCCC2)cc1 ZINC000772847669 1051881184 /nfs/dbraw/zinc/88/11/84/1051881184.db2.gz BYKOXLVXTMHXSD-UHFFFAOYSA-N 0 0 314.473 4.382 20 10 DICDRN CCOc1ccc(CN(C)[C@H](C)c2c(F)cccc2F)c(O)c1 ZINC000768263809 1051912158 /nfs/dbraw/zinc/91/21/58/1051912158.db2.gz WDANUINCKCOVNA-GFCCVEGCSA-N 0 0 321.367 4.262 20 10 DICDRN Cc1ccc(-c2noc(-c3ccc(O)c(O)c3Cl)n2)c(C)c1 ZINC001216951686 1051916253 /nfs/dbraw/zinc/91/62/53/1051916253.db2.gz JVQFOEFYGPSMJJ-UHFFFAOYSA-N 0 0 316.744 4.085 20 10 DICDRN Cc1cc(C)c2nc(NCc3ccc(O)c(O)c3)cc(C)c2c1 ZINC001169990814 1051917801 /nfs/dbraw/zinc/91/78/01/1051917801.db2.gz PLSMXNFSPAOSEG-UHFFFAOYSA-N 0 0 308.381 4.183 20 10 DICDRN Nc1ccc(OCCOc2ccc(NC3=CCCC3)cc2)cc1 ZINC001173998059 1051925340 /nfs/dbraw/zinc/92/53/40/1051925340.db2.gz CZRRCXRYLXFCCW-UHFFFAOYSA-N 0 0 310.397 4.206 20 10 DICDRN Nc1ccc(N(c2ccc(N)cc2)c2ccc3c(c2)CCO3)cc1 ZINC001174012678 1051932423 /nfs/dbraw/zinc/93/24/23/1051932423.db2.gz WPKBNUBBXDPCTI-UHFFFAOYSA-N 0 0 317.392 4.256 20 10 DICDRN O=C(NCc1c(O)ccc2c1CCCC2)C1CCCCCCC1 ZINC000743716234 1051960116 /nfs/dbraw/zinc/96/01/16/1051960116.db2.gz LPZJPKXLZJAJPR-UHFFFAOYSA-N 0 0 315.457 4.248 20 10 DICDRN O=C(C1=CC(=O)CS1)N1CCc2c1cccc2-c1ccccc1 ZINC000768731392 1051960199 /nfs/dbraw/zinc/96/01/99/1051960199.db2.gz BQZZRIYBCJSSEI-UHFFFAOYSA-N 0 0 321.401 4.324 20 10 DICDRN CCN(Cc1ccc(N2CCCCC2)cc1)CC(F)(F)F ZINC000768779711 1051966073 /nfs/dbraw/zinc/96/60/73/1051966073.db2.gz IQEGZKBHRUSJGX-UHFFFAOYSA-N 0 0 300.368 4.061 20 10 DICDRN COc1cncc(Nc2ccc(Cc3ccc(N)cc3)cc2)c1 ZINC001174091197 1052001462 /nfs/dbraw/zinc/00/14/62/1052001462.db2.gz WNLQNMRPHMYUTI-UHFFFAOYSA-N 0 0 305.381 4.007 20 10 DICDRN C[C@H]1CN(Cc2cc(Cl)ccc2O)C[C@@H](c2ccccc2)O1 ZINC000769103811 1052001583 /nfs/dbraw/zinc/00/15/83/1052001583.db2.gz CEQJBKRXEYXPGW-UGSOOPFHSA-N 0 0 317.816 4.008 20 10 DICDRN Cn1ncc(NCc2cc(Cl)ccc2O)c1-c1ccccc1 ZINC000808424641 1052014570 /nfs/dbraw/zinc/01/45/70/1052014570.db2.gz PTXDPPGNWBHMDC-UHFFFAOYSA-N 0 0 313.788 4.058 20 10 DICDRN CCC[C@@H](CC1CCCC1)C(=O)N(C)Cc1ccccc1O ZINC000769282601 1052018254 /nfs/dbraw/zinc/01/82/54/1052018254.db2.gz OBCUQLXWOCPUKU-INIZCTEOSA-N 0 0 303.446 4.347 20 10 DICDRN CCOc1ccc(O)c(CN(CC)Cc2c(F)cccc2F)c1 ZINC000769299462 1052019901 /nfs/dbraw/zinc/01/99/01/1052019901.db2.gz OWVGKOKTFAUOMQ-UHFFFAOYSA-N 0 0 321.367 4.091 20 10 DICDRN C[C@@H]1CO[C@H](c2ccccc2)CN1Cc1cc(Cl)ccc1O ZINC000769310046 1052021633 /nfs/dbraw/zinc/02/16/33/1052021633.db2.gz WWPHFXPLTUIPEV-ACJLOTCBSA-N 0 0 317.816 4.008 20 10 DICDRN C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000808444782 1052022279 /nfs/dbraw/zinc/02/22/79/1052022279.db2.gz QFNQAJSPQRWSRC-IERDGZPVSA-N 0 0 322.452 4.289 20 10 DICDRN Oc1ccccc1CNc1cccc(Cl)c1OCC(F)F ZINC000808433690 1052032421 /nfs/dbraw/zinc/03/24/21/1052032421.db2.gz MSVNMLHDJUTTDF-UHFFFAOYSA-N 0 0 313.731 4.302 20 10 DICDRN C[C@@H]1CN(Cc2cc(Cl)ccc2O)[C@H](c2ccccc2)CO1 ZINC000769489164 1052052385 /nfs/dbraw/zinc/05/23/85/1052052385.db2.gz KJEXXLJCAKDYBT-DYVFJYSZSA-N 0 0 317.816 4.008 20 10 DICDRN CCCn1cc(Nc2ccccc2C(=O)c2ccccc2)cn1 ZINC001174218661 1052055518 /nfs/dbraw/zinc/05/55/18/1052055518.db2.gz FCIOKFUFEYZIEV-UHFFFAOYSA-N 0 0 305.381 4.268 20 10 DICDRN O=C(c1ccccc1F)c1cc(Cl)ccc1Nc1cn[nH]c1 ZINC001174293011 1052073025 /nfs/dbraw/zinc/07/30/25/1052073025.db2.gz FKAJATLOBMAHQV-UHFFFAOYSA-N 0 0 315.735 4.177 20 10 DICDRN Nc1ccc(CCc2ccc(Nc3cncc(F)c3)cc2)cc1 ZINC001174291420 1052073085 /nfs/dbraw/zinc/07/30/85/1052073085.db2.gz XTOZVMDRVSETEW-UHFFFAOYSA-N 0 0 307.372 4.332 20 10 DICDRN CCC[C@@H](CC1CCCC1)C(=O)NCc1cc(OC)ccc1O ZINC000769539339 1052077397 /nfs/dbraw/zinc/07/73/97/1052077397.db2.gz IWEKAHGDFBBVEG-HNNXBMFYSA-N 0 0 319.445 4.014 20 10 DICDRN Cc1cc(Cl)cc([C@@H](C)Nc2cccc3c2CCO3)c1O ZINC000808719769 1052079941 /nfs/dbraw/zinc/07/99/41/1052079941.db2.gz ZOSSDOLEZZODKM-LLVKDONJSA-N 0 0 303.789 4.462 20 10 DICDRN Nc1ccc(N(c2ccc(N)cc2)c2ccc3n[nH]cc3c2)cc1 ZINC001174274303 1052083661 /nfs/dbraw/zinc/08/36/61/1052083661.db2.gz WCZPKCXHAIRGNN-UHFFFAOYSA-N 0 0 315.380 4.197 20 10 DICDRN Nc1ccc(N(Cc2ccccc2)c2ccc3nccn3c2)cc1 ZINC001174277280 1052086369 /nfs/dbraw/zinc/08/63/69/1052086369.db2.gz AIUMGUVIIGCBHK-UHFFFAOYSA-N 0 0 314.392 4.255 20 10 DICDRN Cc1cccc(F)c1NNC(=S)Nc1ccccc1Cl ZINC000769763063 1052101840 /nfs/dbraw/zinc/10/18/40/1052101840.db2.gz IMBPQSIYHKUTOD-UHFFFAOYSA-N 0 0 309.797 4.101 20 10 DICDRN CCN(Cc1ccc(C(F)(F)F)cn1)c1ccc(OC)cc1 ZINC000769748586 1052106534 /nfs/dbraw/zinc/10/65/34/1052106534.db2.gz ZAIHODZELGALQD-UHFFFAOYSA-N 0 0 310.319 4.136 20 10 DICDRN CC(C)(C)c1ccc(/C=C2/SC(=S)N(C3CC3)C2=O)s1 ZINC000769795385 1052110291 /nfs/dbraw/zinc/11/02/91/1052110291.db2.gz RXGTWUFECWMOCK-DHZHZOJOSA-N 0 0 323.508 4.409 20 10 DICDRN c1cnc2ccc(COc3ccc(N4CCCC4)cc3)cc2c1 ZINC000769829126 1052116566 /nfs/dbraw/zinc/11/65/66/1052116566.db2.gz ATPZULBHCNTYQV-UHFFFAOYSA-N 0 0 304.393 4.414 20 10 DICDRN COC[C@@H](C)NC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000769922735 1052122870 /nfs/dbraw/zinc/12/28/70/1052122870.db2.gz KKNWPBGNHYYENF-CYBMUJFWSA-N 0 0 312.373 4.258 20 10 DICDRN CCCCCCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000914506587 1052125426 /nfs/dbraw/zinc/12/54/26/1052125426.db2.gz BQYKXGGQNNSCFA-UHFFFAOYSA-N 0 0 304.478 4.460 20 10 DICDRN CCC(CC)(C(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000761746399 1052133804 /nfs/dbraw/zinc/13/38/04/1052133804.db2.gz UADOKMUVRYFCQD-UHFFFAOYSA-N 0 0 311.425 4.109 20 10 DICDRN C[C@H](OCc1ccc(N)cc1)c1cc(Br)ccc1F ZINC001217865990 1052158240 /nfs/dbraw/zinc/15/82/40/1052158240.db2.gz SMJYQOMBCYFYIC-JTQLQIEISA-N 0 0 324.193 4.448 20 10 DICDRN Nc1ccc(CO[C@@H]2CCc3ccc(Br)cc32)cc1 ZINC001217873848 1052159502 /nfs/dbraw/zinc/15/95/02/1052159502.db2.gz DTPDOLGKJLFWMA-MRXNPFEDSA-N 0 0 318.214 4.235 20 10 DICDRN C[C@H](OCc1ccc(N)cc1)c1ccc(F)c(Br)c1 ZINC001217886254 1052164445 /nfs/dbraw/zinc/16/44/45/1052164445.db2.gz BUBOZVXAFOWSAQ-JTQLQIEISA-N 0 0 324.193 4.448 20 10 DICDRN CC(F)(F)c1ccccc1NC(=O)N1Cc2cccc(O)c2C1 ZINC001218177974 1052203241 /nfs/dbraw/zinc/20/32/41/1052203241.db2.gz YAOVLOUSGVREOY-UHFFFAOYSA-N 0 0 318.323 4.052 20 10 DICDRN Fc1ccccc1-c1nnc(Sc2nccs2)n1C1CC1 ZINC000914862558 1052277267 /nfs/dbraw/zinc/27/72/67/1052277267.db2.gz MBRXLCUIQXKHKX-UHFFFAOYSA-N 0 0 318.402 4.027 20 10 DICDRN CC(=O)c1cc(F)cc(CN(C)Cc2ccccc2Cl)c1O ZINC000315290444 1052335018 /nfs/dbraw/zinc/33/50/18/1052335018.db2.gz VXAKHUGNOZRJQM-UHFFFAOYSA-N 0 0 321.779 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CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N[C@@H](C)c1ccccc1O ZINC001226486244 1052901990 /nfs/dbraw/zinc/90/19/90/1052901990.db2.gz FVFWQDBFZBEBFD-YQQAZPJKSA-N 0 0 318.461 4.357 20 10 DICDRN CCCC[C@@H]1CCC[C@@H]1NC(=O)NCc1cccc(Cl)c1O ZINC001226528203 1052906953 /nfs/dbraw/zinc/90/69/53/1052906953.db2.gz SPRMIQHAPVKAHG-DOMZBBRYSA-N 0 0 324.852 4.204 20 10 DICDRN CC[C@H](C)[C@H](C)NC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000920049282 1052911820 /nfs/dbraw/zinc/91/18/20/1052911820.db2.gz QCINAYHJLBDJIF-HOTGVXAUSA-N 0 0 319.493 4.109 20 10 DICDRN C[C@H](NC(=O)NC(C)(C)CC(C)(C)C)c1ccc(N(C)C)cc1 ZINC001226646977 1052918521 /nfs/dbraw/zinc/91/85/21/1052918521.db2.gz MUAUMHZZEZBYQC-AWEZNQCLSA-N 0 0 319.493 4.328 20 10 DICDRN CN(C)c1ccc(CSc2ncc(-c3ccccc3)n2C)cc1 ZINC000920241289 1052931553 /nfs/dbraw/zinc/93/15/53/1052931553.db2.gz AFBNTDVEZQUWLB-UHFFFAOYSA-N 0 0 323.465 4.445 20 10 DICDRN CCN(CC)c1ccc(CNc2ccsc2[N+](=O)[O-])cc1 ZINC000920339336 1052934729 /nfs/dbraw/zinc/93/47/29/1052934729.db2.gz 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CC1=C(Oc2ccccc2NN=C2C=CC=CC2=O)C(=O)O[C@H]1C ZINC001228418173 1053097461 /nfs/dbraw/zinc/09/74/61/1053097461.db2.gz FSLZDZQHRRQXFI-IVGVGDLQSA-N 0 0 324.336 4.406 20 10 DICDRN CC(C)O[C@]1(CSc2ncc(C(C)(C)C)s2)CCOC1 ZINC000849888043 1053113775 /nfs/dbraw/zinc/11/37/75/1053113775.db2.gz WDVIGGAWQRADFL-OAHLLOKOSA-N 0 0 315.504 4.117 20 10 DICDRN CC(C)(C)c1cnc(SCc2cn(C(C)(C)C)nn2)s1 ZINC000849887919 1053113960 /nfs/dbraw/zinc/11/39/60/1053113960.db2.gz SVHLERIEPDSIRM-UHFFFAOYSA-N 0 0 310.492 4.079 20 10 DICDRN Oc1ccccc1CN(C/C(Cl)=C/Cl)Cc1ccco1 ZINC000763542218 1053140443 /nfs/dbraw/zinc/14/04/43/1053140443.db2.gz AIECEHNHVHVQGA-JYRVWZFOSA-N 0 0 312.196 4.306 20 10 DICDRN C/C(=C\C(C)(C)C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001351164585 1053142705 /nfs/dbraw/zinc/14/27/05/1053142705.db2.gz WVXKTCDATFXBRR-JQIJEIRASA-N 0 0 314.473 4.238 20 10 DICDRN C/C(=C/C(C)(C)C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001351164588 1053142867 /nfs/dbraw/zinc/14/28/67/1053142867.db2.gz WVXKTCDATFXBRR-PEZBUJJGSA-N 0 0 314.473 4.238 20 10 DICDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(CC(C)C)cc1 ZINC001360075696 1053181432 /nfs/dbraw/zinc/18/14/32/1053181432.db2.gz OYSQPUKCGZBGCI-UHFFFAOYSA-N 0 0 324.468 4.190 20 10 DICDRN CCCCCC[C@H](C)C(=O)NCc1ccc(N(C)C)cc1C ZINC001360273076 1053208213 /nfs/dbraw/zinc/20/82/13/1053208213.db2.gz AXKCMIRPPRHDLB-HNNXBMFYSA-N 0 0 304.478 4.284 20 10 DICDRN CC[C@H](C)CCCCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001351737780 1053217554 /nfs/dbraw/zinc/21/75/54/1053217554.db2.gz GPCZOIGJOIHQAT-AWEZNQCLSA-N 0 0 308.441 4.114 20 10 DICDRN COC(=O)C1CC(Oc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC001229007722 1053223560 /nfs/dbraw/zinc/22/35/60/1053223560.db2.gz OVBCCWNPTDSZOU-FMQUCBEESA-N 0 0 310.353 4.432 20 10 DICDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccoc1 ZINC000181581294 1053250356 /nfs/dbraw/zinc/25/03/56/1053250356.db2.gz ZSURDXRRLAKGBX-OAHLLOKOSA-N 0 0 321.376 4.389 20 10 DICDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc[nH]1 ZINC000181584467 1053253429 /nfs/dbraw/zinc/25/34/29/1053253429.db2.gz 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/nfs/dbraw/zinc/35/67/69/1053356769.db2.gz CBSXKTRDNZCDPY-KRWDZBQOSA-N 0 0 324.424 4.391 20 10 DICDRN Cc1cc(CC(=O)N2CC[C@@H](C)[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC001545801739 1053366100 /nfs/dbraw/zinc/36/61/00/1053366100.db2.gz CIVNWFGODIIKJG-CVEARBPZSA-N 0 0 324.468 4.141 20 10 DICDRN Cc1cc(C(=O)N2CC[C@H](C3CC3)C2)c(C)n1-c1cccc(C)c1 ZINC001545861654 1053368734 /nfs/dbraw/zinc/36/87/34/1053368734.db2.gz MJLFPJQFQVHMEO-SFHVURJKSA-N 0 0 322.452 4.275 20 10 DICDRN CC(C)CCCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001352743892 1053395978 /nfs/dbraw/zinc/39/59/78/1053395978.db2.gz HXUNLGNEPZFNIL-UHFFFAOYSA-N 0 0 302.462 4.070 20 10 DICDRN Cc1cc(Cl)nc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)c1 ZINC001321240291 1053402951 /nfs/dbraw/zinc/40/29/51/1053402951.db2.gz UPZBSDKJPAOTAN-OCCSQVGLSA-N 0 0 316.832 4.396 20 10 DICDRN Cc1cc(C(=O)Nc2cccc(C)c2F)c(C)n1-c1ccccn1 ZINC000182309479 1053405160 /nfs/dbraw/zinc/40/51/60/1053405160.db2.gz KDUOWVFWTXXTSF-UHFFFAOYSA-N 0 0 323.371 4.189 20 10 DICDRN CC(C)(CCc1ccccc1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001200134899 1053407467 /nfs/dbraw/zinc/40/74/67/1053407467.db2.gz BAGRANPVHDATDD-UHFFFAOYSA-N 0 0 305.368 4.171 20 10 DICDRN Cc1cc(CC(=O)N2[C@H](C)CCC[C@H]2C)c(C)n1-c1ccccc1 ZINC001352841900 1053416080 /nfs/dbraw/zinc/41/60/80/1053416080.db2.gz HQQFPXQIOFMWPM-HZPDHXFCSA-N 0 0 324.468 4.426 20 10 DICDRN C[C@H]([NH2+]Cc1cccc(C(F)F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001321625873 1053423984 /nfs/dbraw/zinc/42/39/84/1053423984.db2.gz RSLWZINACNQINT-JTQLQIEISA-N 0 0 322.311 4.089 20 10 DICDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccccc1C1(C)CC1 ZINC001435119359 1053446208 /nfs/dbraw/zinc/44/62/08/1053446208.db2.gz QYGVPELDKZEGHQ-UHFFFAOYSA-N 0 0 322.452 4.043 20 10 DICDRN CCC1(C(=O)NCc2ccc(N(C)C)cc2C)CCCCC1 ZINC001435119031 1053446349 /nfs/dbraw/zinc/44/63/49/1053446349.db2.gz OJDHXDMHZDTIEV-UHFFFAOYSA-N 0 0 302.462 4.038 20 10 DICDRN Cc1ccc(C)n1-c1ccc(-c2nnc(-c3ccncc3)o2)cc1 ZINC001322261782 1053473702 /nfs/dbraw/zinc/47/37/02/1053473702.db2.gz GNWNDFNMKRKCJO-UHFFFAOYSA-N 0 0 316.364 4.206 20 10 DICDRN CCC[C@H]1CCCC[C@H]1CNC(=O)NCc1cc(C)ccc1O ZINC001230098119 1053478252 /nfs/dbraw/zinc/47/82/52/1053478252.db2.gz TVMLDXAIMAFHSX-HOTGVXAUSA-N 0 0 318.461 4.106 20 10 DICDRN CCCn1cc(N[C@@H](C)c2ccc(N3CCCCC3)cc2)cn1 ZINC000182586051 1053483047 /nfs/dbraw/zinc/48/30/47/1053483047.db2.gz VSCVDUQPKYKBPC-INIZCTEOSA-N 0 0 312.461 4.457 20 10 DICDRN Cc1cc(-c2nnc(CC3CC3)o2)c(C)n1-c1ccc(F)cc1 ZINC001322348647 1053490607 /nfs/dbraw/zinc/49/06/07/1053490607.db2.gz CNHFIEFPWUKQKR-UHFFFAOYSA-N 0 0 311.360 4.236 20 10 DICDRN Cc1cc(-c2nnc([C@H]3CCCCO3)o2)c(C)n1-c1ccccc1 ZINC001322344277 1053490631 /nfs/dbraw/zinc/49/06/31/1053490631.db2.gz DBEFKIGDCDPRBW-QGZVFWFLSA-N 0 0 323.396 4.386 20 10 DICDRN CCc1ccc(NC(=O)N(C)Cc2ccccc2O)cc1CC ZINC000182742499 1053507254 /nfs/dbraw/zinc/50/72/54/1053507254.db2.gz HSAAQURWJBTDEI-UHFFFAOYSA-N 0 0 312.413 4.181 20 10 DICDRN COc1ccc(-n2c(C)cc(-c3nnc(C4CCC4)o3)c2C)cc1 ZINC001322477313 1053510227 /nfs/dbraw/zinc/51/02/27/1053510227.db2.gz QHFXADLTZYOTDP-UHFFFAOYSA-N 0 0 323.396 4.420 20 10 DICDRN Cc1cncc(/C=C\C(=O)N(CC2CCC2)c2ccccc2)c1 ZINC001435382658 1053535454 /nfs/dbraw/zinc/53/54/54/1053535454.db2.gz CVQPHDKPBZBHSJ-KHPPLWFESA-N 0 0 306.409 4.237 20 10 DICDRN CN(C)c1ccc(/C=C\C[NH2+][C@H]2CSCc3ccccc32)cc1 ZINC001200333132 1053569317 /nfs/dbraw/zinc/56/93/17/1053569317.db2.gz LPJRRNMFKFXQJV-PRPIBZDOSA-N 0 0 324.493 4.344 20 10 DICDRN Cc1ccc(NC(=S)N[C@H](C)c2ccccc2O)c(Cl)c1 ZINC001200342125 1053580392 /nfs/dbraw/zinc/58/03/92/1053580392.db2.gz BOYNDGBGVSWOHL-LLVKDONJSA-N 0 0 320.845 4.402 20 10 DICDRN Cc1cc(-c2nnc(C3CCOCC3)o2)c(C)n1-c1ccccc1 ZINC001323827109 1053603431 /nfs/dbraw/zinc/60/34/31/1053603431.db2.gz QRLSBEBMGMZZJF-UHFFFAOYSA-N 0 0 323.396 4.038 20 10 DICDRN CCn1cc(N[C@@H](C)c2ccc(N3CCCCCC3)cc2)cn1 ZINC000183371653 1053641793 /nfs/dbraw/zinc/64/17/93/1053641793.db2.gz IFZOFCXVXQATHE-INIZCTEOSA-N 0 0 312.461 4.457 20 10 DICDRN Cc1cccc(C(C)C)c1NC(=S)NCc1cc(F)ccn1 ZINC001200414467 1053641848 /nfs/dbraw/zinc/64/18/48/1053641848.db2.gz CRBPWBVEBRHQLR-UHFFFAOYSA-N 0 0 317.433 4.139 20 10 DICDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)CC1CCCCC1 ZINC001324340246 1053646245 /nfs/dbraw/zinc/64/62/45/1053646245.db2.gz LABMNEAXVONOIC-AWEZNQCLSA-N 0 0 324.461 4.101 20 10 DICDRN C[C@H](Nc1cnn(CC2CC2)c1)c1ccc(N2CCCCC2)cc1 ZINC000183421963 1053654957 /nfs/dbraw/zinc/65/49/57/1053654957.db2.gz RBIQVTIDPCQYJU-INIZCTEOSA-N 0 0 324.472 4.457 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)NCCCC1CCC1 ZINC001231173058 1053694820 /nfs/dbraw/zinc/69/48/20/1053694820.db2.gz BVAXXXHTHBFQMF-UHFFFAOYSA-N 0 0 318.461 4.284 20 10 DICDRN COc1ccc(N(C)Cc2ccc(N3CCCC3)cc2)cc1F ZINC001325082285 1053697834 /nfs/dbraw/zinc/69/78/34/1053697834.db2.gz POPONIVVEIGOSM-UHFFFAOYSA-N 0 0 314.404 4.071 20 10 DICDRN CCC[C@H](C)CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001353910511 1053702564 /nfs/dbraw/zinc/70/25/64/1053702564.db2.gz KIASHHJPGSQFKS-INIZCTEOSA-N 0 0 302.462 4.072 20 10 DICDRN CSc1ccc(N[C@@H]2C[C@H](C)c3c2c(O)ccc3C)nc1 ZINC001325355777 1053716196 /nfs/dbraw/zinc/71/61/96/1053716196.db2.gz DHVBFBNAKJYKLT-WCQYABFASA-N 0 0 300.427 4.478 20 10 DICDRN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2Nc1ccc2c(c1)ncn2C ZINC001325356398 1053716576 /nfs/dbraw/zinc/71/65/76/1053716576.db2.gz JWNHBKUOUJIRLN-DOMZBBRYSA-N 0 0 307.397 4.248 20 10 DICDRN CC1(CNC(=O)NCc2cccc(Cl)c2O)CCCCCC1 ZINC001231297257 1053721946 /nfs/dbraw/zinc/72/19/46/1053721946.db2.gz SRGMZZPFVGNBFZ-UHFFFAOYSA-N 0 0 324.852 4.205 20 10 DICDRN O=C1CC(Oc2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC001231298811 1053722172 /nfs/dbraw/zinc/72/21/72/1053722172.db2.gz VTNNRYOXGREFQN-ISLYRVAYSA-N 0 0 311.297 4.121 20 10 DICDRN CC1=C(Oc2ccc(NN=C3C=CC(=O)C=C3)cc2)C(=O)O[C@H]1C ZINC001231318827 1053725514 /nfs/dbraw/zinc/72/55/14/1053725514.db2.gz DIIHMPRWDCOYKJ-LBPRGKRZSA-N 0 0 324.336 4.406 20 10 DICDRN COCC(COC)Oc1ccc(C)cc1/N=N/c1ccccc1 ZINC001231325452 1053726865 /nfs/dbraw/zinc/72/68/65/1053726865.db2.gz FTJJFCKEGFQUHM-FMQUCBEESA-N 0 0 314.385 4.451 20 10 DICDRN COC(=O)C[C@@H](C)Oc1ccc(NN=C2C=CC(=O)C=C2)cc1 ZINC001231320306 1053727081 /nfs/dbraw/zinc/72/70/81/1053727081.db2.gz NIXVUNGCRRXCFT-GFCCVEGCSA-N 0 0 314.341 4.138 20 10 DICDRN CC(=O)N1CC[C@@H](Oc2ccc(C)cc2/N=N/c2ccccc2)C1 ZINC001231325375 1053727224 /nfs/dbraw/zinc/72/72/24/1053727224.db2.gz DQNLYTASFCRJQU-SGRLSNSRSA-N 0 0 323.396 4.410 20 10 DICDRN CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1(C)C ZINC001435948049 1053734668 /nfs/dbraw/zinc/73/46/68/1053734668.db2.gz MPKYQLQRTFTCFK-QGTPRVQTSA-N 0 0 314.473 4.168 20 10 DICDRN Cc1cc(C)cc(CCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC001435953545 1053735663 /nfs/dbraw/zinc/73/56/63/1053735663.db2.gz HIRWVRBLAGKKKT-QGZVFWFLSA-N 0 0 324.468 4.179 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@@H](F)C1 ZINC001325852892 1053737952 /nfs/dbraw/zinc/73/79/52/1053737952.db2.gz CPUNCQKZDBTQRR-GOEBONIOSA-N 0 0 307.409 4.049 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)c2occ(C)c2C)cc1 ZINC001325845690 1053738322 /nfs/dbraw/zinc/73/83/22/1053738322.db2.gz LYFOPBUPSZOSFR-UHFFFAOYSA-N 0 0 314.429 4.015 20 10 DICDRN CN(C(=O)/C=C/c1cccnc1)c1c(Cl)cccc1Cl ZINC000156445215 1053811474 /nfs/dbraw/zinc/81/14/74/1053811474.db2.gz JSNKZQRXXCENRI-BQYQJAHWSA-N 0 0 307.180 4.065 20 10 DICDRN Cc1ccc(C(=O)Nc2c3nonc3ccc2Cl)cc1Cl ZINC001327162380 1053838879 /nfs/dbraw/zinc/83/88/79/1053838879.db2.gz ZCCKDNKWEHIISZ-UHFFFAOYSA-N 0 0 322.151 4.090 20 10 DICDRN CCCCCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000071806292 1053871424 /nfs/dbraw/zinc/87/14/24/1053871424.db2.gz LCONXABXBBWCES-UHFFFAOYSA-N 0 0 302.462 4.216 20 10 DICDRN Cc1cc(C)c(CN(C)[C@H](C2CCC2)C(F)(F)F)c(O)c1 ZINC001231848751 1053890758 /nfs/dbraw/zinc/89/07/58/1053890758.db2.gz LCVUXYKWDPHSPG-OAHLLOKOSA-N 0 0 301.352 4.172 20 10 DICDRN Cc1cc(O)c(CN(C)Cc2cccc(F)c2F)cc1Cl ZINC001231870392 1053899891 /nfs/dbraw/zinc/89/98/91/1053899891.db2.gz XXBXEGSLZGVJMH-UHFFFAOYSA-N 0 0 311.759 4.264 20 10 DICDRN Cc1cc(O)c(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)cc1Cl ZINC001231870953 1053900084 /nfs/dbraw/zinc/90/00/84/1053900084.db2.gz WVTSKVWMNMKAJU-INIZCTEOSA-N 0 0 317.816 4.007 20 10 DICDRN Cc1cc(O)c(C[N@@H+](C)[C@H]2CCc3ccccc32)cc1Cl ZINC001231871963 1053900609 /nfs/dbraw/zinc/90/06/09/1053900609.db2.gz SOFLGBOHAKETMG-KRWDZBQOSA-N 0 0 301.817 4.473 20 10 DICDRN C[N@H+](CCc1ccccc1F)Cc1ccc2ccccc2c1O ZINC001231883923 1053906043 /nfs/dbraw/zinc/90/60/43/1053906043.db2.gz VFWROMYFGKFRQF-UHFFFAOYSA-N 0 0 309.384 4.359 20 10 DICDRN Oc1c(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)ccc2ccccc21 ZINC001231882661 1053906295 /nfs/dbraw/zinc/90/62/95/1053906295.db2.gz RBTFXVSQTQMHLS-LJQANCHMSA-N 0 0 319.404 4.199 20 10 DICDRN Oc1c(C[N@@H+]2CCc3c(F)cccc3C2)ccc2ccccc21 ZINC001231881559 1053906403 /nfs/dbraw/zinc/90/64/03/1053906403.db2.gz WSDURAKRKQHYKS-UHFFFAOYSA-N 0 0 307.368 4.243 20 10 DICDRN C[C@@H]1C(=O)CC[N@H+](Cc2ccc3ccccc3c2O)C12CCCC2 ZINC001231883371 1053907226 /nfs/dbraw/zinc/90/72/26/1053907226.db2.gz IYEFNJFJJGRCNZ-OAHLLOKOSA-N 0 0 323.436 4.269 20 10 DICDRN COc1cccc([C@H]2CC[N@H+](Cc3cccc(Cl)c3[O-])C2)c1 ZINC001231914444 1053915397 /nfs/dbraw/zinc/91/53/97/1053915397.db2.gz LLPTXDXQKWPLJC-AWEZNQCLSA-N 0 0 317.816 4.044 20 10 DICDRN C[N@H+](CCc1cccc(Cl)c1)Cc1cccc(Cl)c1[O-] ZINC001231912532 1053915992 /nfs/dbraw/zinc/91/59/92/1053915992.db2.gz LPJLPBZFOXQQKY-UHFFFAOYSA-N 0 0 310.224 4.374 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)C2CC(C)(C)C2)cc1 ZINC001436629515 1053930035 /nfs/dbraw/zinc/93/00/35/1053930035.db2.gz PSFVQAYGDRWISJ-UHFFFAOYSA-N 0 0 310.441 4.355 20 10 DICDRN COc1cc(O)c(C[N@@H+]2CC[C@@H](c3ccccc3)C2)cc1Cl ZINC001232266198 1054006890 /nfs/dbraw/zinc/00/68/90/1054006890.db2.gz KDAGRFPTNDKHHH-CQSZACIVSA-N 0 0 317.816 4.044 20 10 DICDRN COc1cc(O)c(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1Cl ZINC001232270089 1054011403 /nfs/dbraw/zinc/01/14/03/1054011403.db2.gz SODBVOQBXOEEBQ-WFASDCNBSA-N 0 0 309.837 4.209 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC=CCCC2)cc1 ZINC001355016838 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[O-]c1c(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)ccc(F)c1F ZINC001233077411 1054183587 /nfs/dbraw/zinc/18/35/87/1054183587.db2.gz MQMHDWVSBPJYMN-HNNXBMFYSA-N 0 0 307.315 4.147 20 10 DICDRN [O-]c1c(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)ccc(F)c1F ZINC001233080092 1054183895 /nfs/dbraw/zinc/18/38/95/1054183895.db2.gz POGDSVXFWBLAGK-HNNXBMFYSA-N 0 0 321.342 4.017 20 10 DICDRN CC[N@H+](Cc1ccc(C)c(C)c1)Cc1ccc(F)c(F)c1[O-] ZINC001233078846 1054184115 /nfs/dbraw/zinc/18/41/15/1054184115.db2.gz LQPJLTVYYXMNRT-UHFFFAOYSA-N 0 0 305.368 4.309 20 10 DICDRN C[N@H+](Cc1ccc([S-])cc1)Cc1ccc(N2CCCC2)cc1 ZINC001233261360 1054218892 /nfs/dbraw/zinc/21/88/92/1054218892.db2.gz MDXXQONPDAOMLC-UHFFFAOYSA-N 0 0 312.482 4.208 20 10 DICDRN COc1cc(Cl)cc(CN2Cc3ccc(Cl)cc3C2)c1O ZINC001233290562 1054224694 /nfs/dbraw/zinc/22/46/94/1054224694.db2.gz KANGRLRQLHEIFR-UHFFFAOYSA-N 0 0 324.207 4.223 20 10 DICDRN C[N@H+](Cc1c([O-])ccc(F)c1F)C12CC3CC(CC(C3)C1)C2 ZINC001233334857 1054239421 /nfs/dbraw/zinc/23/94/21/1054239421.db2.gz 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20 10 DICDRN CCC[C@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC001560618570 1060431922 /nfs/dbraw/zinc/43/19/22/1060431922.db2.gz RIPXZYCFSFFNOG-SFHVURJKSA-N 0 0 314.385 4.106 20 10 DICDRN CC[N@H+](Cc1ccccc1F)Cc1cc(Cl)c(F)cc1[O-] ZINC001560639376 1060456844 /nfs/dbraw/zinc/45/68/44/1060456844.db2.gz VXYYSZZIPFXQOM-UHFFFAOYSA-N 0 0 311.759 4.346 20 10 DICDRN CC(C)(C)[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2cccnc2)C1 ZINC001535122638 1060465325 /nfs/dbraw/zinc/46/53/25/1060465325.db2.gz YQQDWHFXUWSRNB-DOJUMQAQSA-N 0 0 320.436 4.346 20 10 DICDRN COc1cc(OC)c(N(c2ccccc2)c2ccc(N)cc2)cn1 ZINC001249909929 1060473876 /nfs/dbraw/zinc/47/38/76/1060473876.db2.gz CKVGTQBWNYWNNE-UHFFFAOYSA-N 0 0 321.380 4.151 20 10 DICDRN CC(C)C[N@@H+](Cc1cc(F)c(F)cc1[O-])Cc1ccccc1F ZINC001560652322 1060478256 /nfs/dbraw/zinc/47/82/56/1060478256.db2.gz VVFJOCKIBMMJJQ-UHFFFAOYSA-N 0 0 323.358 4.468 20 10 DICDRN Nc1ccc(Cc2ccc(Nc3c(O)cccc3F)cc2)cc1 ZINC001249996258 1060529030 /nfs/dbraw/zinc/52/90/30/1060529030.db2.gz 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/nfs/dbraw/zinc/60/53/63/1060605363.db2.gz DKVCJYRGTXTLJQ-UHFFFAOYSA-N 0 0 318.367 4.283 20 10 DICDRN [O-]c1c(C[NH2+]C2(Cc3ccccc3)CCCC2)ccc(F)c1F ZINC001560741728 1060609631 /nfs/dbraw/zinc/60/96/31/1060609631.db2.gz ZQADXUSWXGEOPP-UHFFFAOYSA-N 0 0 317.379 4.316 20 10 DICDRN COc1ccc(CN(C)c2ccc(OC)c(Cl)c2)c(C)c1 ZINC001560746250 1060613666 /nfs/dbraw/zinc/61/36/66/1060613666.db2.gz RCCGBRCZNHZXBY-UHFFFAOYSA-N 0 0 305.805 4.302 20 10 DICDRN CCSc1cccc(CN(C)c2ccc3c(c2)OCO3)c1 ZINC001560746037 1060614044 /nfs/dbraw/zinc/61/40/44/1060614044.db2.gz KCNWDMABPJORQF-UHFFFAOYSA-N 0 0 301.411 4.164 20 10 DICDRN Cc1cccc([C@@H]2CC[N@H+](Cc3c([O-])ccc(Cl)c3F)C2)c1 ZINC001560751279 1060618566 /nfs/dbraw/zinc/61/85/66/1060618566.db2.gz KUZZGFQINQZENI-CQSZACIVSA-N 0 0 319.807 4.483 20 10 DICDRN COc1ccc(CN(C)c2ccc(OC(C)C)cc2)cc1OC ZINC001560757498 1060623542 /nfs/dbraw/zinc/62/35/42/1060623542.db2.gz DNSZGGLFWVXXSV-UHFFFAOYSA-N 0 0 315.413 4.127 20 10 DICDRN Cc1cc(O)c(CNc2cccc3ccn(C)c32)cc1Cl ZINC001560759865 1060625636 /nfs/dbraw/zinc/62/56/36/1060625636.db2.gz OCNJPIOZINXDKT-UHFFFAOYSA-N 0 0 300.789 4.458 20 10 DICDRN COCC(C)(C)CN(C)c1ccc(OCc2ccccc2)cc1 ZINC001560761378 1060627073 /nfs/dbraw/zinc/62/70/73/1060627073.db2.gz GTHMPLNEVVJNBP-UHFFFAOYSA-N 0 0 313.441 4.374 20 10 DICDRN Cc1ccccc1[C@@]1(F)CC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001560786355 1060647311 /nfs/dbraw/zinc/64/73/11/1060647311.db2.gz VGHFEPOILLDXMZ-GOSISDBHSA-N 0 0 321.342 4.050 20 10 DICDRN CN(C)c1cc(F)c(CN(C)c2ccc3cc[nH]c3c2)cc1F ZINC001560805560 1060666973 /nfs/dbraw/zinc/66/69/73/1060666973.db2.gz JAPFCRBXDDMBDH-UHFFFAOYSA-N 0 0 315.367 4.149 20 10 DICDRN CC[C@@H]([NH2+]Cc1cccc(Br)c1[O-])[C@H]1CC1(C)C ZINC001560807527 1060668895 /nfs/dbraw/zinc/66/88/95/1060668895.db2.gz IBXNZQVDQGVEBE-DGCLKSJQSA-N 0 0 312.251 4.069 20 10 DICDRN [O-]c1cc(Br)ccc1C[NH+](C1CCC1)C1CCC1 ZINC001560861873 1060720333 /nfs/dbraw/zinc/72/03/33/1060720333.db2.gz ZGTYBHWKDRTATH-UHFFFAOYSA-N 0 0 310.235 4.062 20 10 DICDRN COc1cc(C)c(CNc2ccc(C)c(SC)c2)c(O)c1 ZINC001560911448 1060771773 /nfs/dbraw/zinc/77/17/73/1060771773.db2.gz CZMYFHJGVHUKPE-UHFFFAOYSA-N 0 0 303.427 4.352 20 10 DICDRN CC(C)(C)n1c(-c2ccc(O)c(O)c2)nc2ccc(F)c(F)c21 ZINC001250465088 1060821292 /nfs/dbraw/zinc/82/12/92/1060821292.db2.gz XSIYKBYTXHPBTO-UHFFFAOYSA-N 0 0 318.323 4.148 20 10 DICDRN COc1cc2nc(-c3ccc(N4CCCC4)cc3)[nH]c2cc1C ZINC001250489694 1060844782 /nfs/dbraw/zinc/84/47/82/1060844782.db2.gz CMNRBLZRKIRIQI-UHFFFAOYSA-N 0 0 307.397 4.147 20 10 DICDRN Cn1c2ccc(Cl)cc2nc1-c1ccc(N2CCCC2)cc1 ZINC001250490028 1060846429 /nfs/dbraw/zinc/84/64/29/1060846429.db2.gz NXUUFMPCTCETTA-UHFFFAOYSA-N 0 0 311.816 4.494 20 10 DICDRN CC[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1c([O-])cccc1F ZINC001561015743 1060871919 /nfs/dbraw/zinc/87/19/19/1060871919.db2.gz FXWSWLNCZSPLGM-CQSZACIVSA-N 0 0 307.796 4.296 20 10 DICDRN Cc1ccc(NC(=O)N[C@@H](C)c2ccccc2O)c(Cl)c1 ZINC001562049311 1060963664 /nfs/dbraw/zinc/96/36/64/1060963664.db2.gz DQLJMRYAJBKPJD-NSHDSACASA-N 0 0 304.777 4.237 20 10 DICDRN CCOc1ccc(N(CC)Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC001473261572 1061037277 /nfs/dbraw/zinc/03/72/77/1061037277.db2.gz KXXOFYAEAJWTDB-UHFFFAOYSA-N 0 0 314.385 4.328 20 10 DICDRN [O-]c1c(F)cccc1C[NH2+]C1(Cc2cccc(Cl)c2)CC1 ZINC001462256303 1061057954 /nfs/dbraw/zinc/05/79/54/1061057954.db2.gz WGYPWXXZXKGECJ-UHFFFAOYSA-N 0 0 305.780 4.050 20 10 DICDRN COc1ccc(N(C)Cc2ccc(Cl)cc2OC)c(OC)c1 ZINC001473293911 1061063549 /nfs/dbraw/zinc/06/35/49/1061063549.db2.gz CKPIUALOJITTGH-UHFFFAOYSA-N 0 0 321.804 4.002 20 10 DICDRN COc1cc(C)cc(CNc2cccc(-c3ncco3)c2C)c1O ZINC001462284623 1061079119 /nfs/dbraw/zinc/07/91/19/1061079119.db2.gz RIJBVBFJSXKCJS-UHFFFAOYSA-N 0 0 324.380 4.285 20 10 DICDRN COc1ccc2c(c1)CCCCN2C[C@@H]1CCOc2ccccc21 ZINC001462302992 1061091231 /nfs/dbraw/zinc/09/12/31/1061091231.db2.gz DXQRHHKCSPGUCQ-KRWDZBQOSA-N 0 0 323.436 4.404 20 10 DICDRN CN(Cc1cncc(F)c1)c1ccc(OCc2ccccc2)cc1 ZINC001473389411 1061130484 /nfs/dbraw/zinc/13/04/84/1061130484.db2.gz ONAMHLJWBKYYKN-UHFFFAOYSA-N 0 0 322.383 4.436 20 10 DICDRN COc1ccc(N(C)C/C=C/c2ccc(F)c(F)c2)cc1OC ZINC001462382712 1061139956 /nfs/dbraw/zinc/13/99/56/1061139956.db2.gz GYQZLJLUWPJGFM-SNAWJCMRSA-N 0 0 319.351 4.132 20 10 DICDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CC2CCC1CC2 ZINC001462393632 1061146478 /nfs/dbraw/zinc/14/64/78/1061146478.db2.gz DFTKFTSWRBKTEU-NPZBDFSRSA-N 0 0 311.828 4.489 20 10 DICDRN [O-]c1c(F)c(F)ccc1C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC001462423643 1061164464 /nfs/dbraw/zinc/16/44/64/1061164464.db2.gz BGACVSQISOSDJI-UHFFFAOYSA-N 0 0 318.150 4.267 20 10 DICDRN CC(C)CCOCCN(C)c1ccc(-c2nccs2)cc1 ZINC001473535515 1061227689 /nfs/dbraw/zinc/22/76/89/1061227689.db2.gz LEFHDOILRIPDSN-UHFFFAOYSA-N 0 0 304.459 4.309 20 10 DICDRN Cc1cc(C(=O)NCCC2CC=CC2)c(C)n1-c1cccc(C)c1 ZINC001455562364 1061228708 /nfs/dbraw/zinc/22/87/08/1061228708.db2.gz DZBHSPJYKRFCPI-UHFFFAOYSA-N 0 0 322.452 4.489 20 10 DICDRN COc1ccc(N(CCOCc2ccccc2)CC(C)C)cc1 ZINC001473559786 1061246632 /nfs/dbraw/zinc/24/66/32/1061246632.db2.gz NCVWSIFZNPMLAN-UHFFFAOYSA-N 0 0 313.441 4.374 20 10 DICDRN COc1ccc(N(CC(C)C)CC(F)(F)Br)cc1 ZINC001473559964 1061247163 /nfs/dbraw/zinc/24/71/63/1061247163.db2.gz OZYJBVMPSGBNPG-UHFFFAOYSA-N 0 0 322.193 4.145 20 10 DICDRN C[C@@H](C(=O)NCc1c(O)cccc1F)c1ccc2ccccc2c1 ZINC001456029942 1061259830 /nfs/dbraw/zinc/25/98/30/1061259830.db2.gz OSKNXJDMWNMLGX-CYBMUJFWSA-N 0 0 323.367 4.104 20 10 DICDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1nc(C)cs1 ZINC001473569744 1061259973 /nfs/dbraw/zinc/25/99/73/1061259973.db2.gz PZLIANUPHGSODS-HNNXBMFYSA-N 0 0 316.470 4.295 20 10 DICDRN C[C@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2F)Cc2ccccc21 ZINC001462560184 1061260984 /nfs/dbraw/zinc/26/09/84/1061260984.db2.gz ATZHXYMHYJECTB-NSHDSACASA-N 0 0 305.780 4.304 20 10 DICDRN CC1(C)CCc2cccc(NCc3cc(F)ccc3O)c2O1 ZINC001462598186 1061287480 /nfs/dbraw/zinc/28/74/80/1061287480.db2.gz WRLFXJCZAWPFQC-UHFFFAOYSA-N 0 0 301.361 4.247 20 10 DICDRN Oc1cc(-c2nc3ccccc3n2C2CCCCC2)cc(O)c1O ZINC001251248374 1061290520 /nfs/dbraw/zinc/29/05/20/1061290520.db2.gz OANSKHILVIQQCZ-UHFFFAOYSA-N 0 0 324.380 4.325 20 10 DICDRN C[C@H]1Cc2cc(NCc3ccc4ccccc4c3O)ccc2O1 ZINC001462624660 1061305400 /nfs/dbraw/zinc/30/54/00/1061305400.db2.gz QYNDONJGTHIECA-ZDUSSCGKSA-N 0 0 305.377 4.481 20 10 DICDRN CCN(C(=O)/C=C\c1ccc(Cl)nc1)c1ccc(F)c(C)c1 ZINC001462625656 1061305497 /nfs/dbraw/zinc/30/54/97/1061305497.db2.gz FVANXQMBAMUUFY-UITAMQMPSA-N 0 0 318.779 4.249 20 10 DICDRN C[C@H](C[NH2+]Cc1cccc(Cl)c1[O-])c1cc(F)cc(F)c1 ZINC001462655651 1061323448 /nfs/dbraw/zinc/32/34/48/1061323448.db2.gz SZYRBDBNRHDRSE-SNVBAGLBSA-N 0 0 311.759 4.217 20 10 DICDRN FC(F)[C@H](NCc1ccc2c(c1)CCCO2)c1ccccc1 ZINC001462679677 1061333968 /nfs/dbraw/zinc/33/39/68/1061333968.db2.gz CSXCYMDBRSWZQQ-QGZVFWFLSA-N 0 0 303.352 4.108 20 10 DICDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC/C=C\Cl)c1 ZINC001463253844 1061446626 /nfs/dbraw/zinc/44/66/26/1061446626.db2.gz SNRLGXVBCSQLGY-BAQGIRSFSA-N 0 0 323.223 4.230 20 10 DICDRN CCCCc1ccc(N(C)C(=O)/C=C\c2cnc(C)s2)cc1 ZINC001457486776 1061461959 /nfs/dbraw/zinc/46/19/59/1061461959.db2.gz BQKCELTUWQAAEB-QXMHVHEDSA-N 0 0 314.454 4.470 20 10 DICDRN CCCOC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC001463610959 1061503830 /nfs/dbraw/zinc/50/38/30/1061503830.db2.gz LYBDXMSRRFGQHN-CYBMUJFWSA-N 0 0 324.852 4.213 20 10 DICDRN CC(C)=C(C)CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC001463785734 1061520522 /nfs/dbraw/zinc/52/05/22/1061520522.db2.gz PPDFHXUJQYMAKH-UHFFFAOYSA-N 0 0 314.473 4.382 20 10 DICDRN Cc1ccccc1OCCC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001473993128 1061536877 /nfs/dbraw/zinc/53/68/77/1061536877.db2.gz PNOWCRTZBWVXME-UHFFFAOYSA-N 0 0 323.795 4.052 20 10 DICDRN Cc1cccc(O[C@@H](C)C[NH2+]Cc2cc(Cl)cc(F)c2[O-])c1 ZINC001474010864 1061551988 /nfs/dbraw/zinc/55/19/88/1061551988.db2.gz ATEFUTBUDWRGLA-LBPRGKRZSA-N 0 0 323.795 4.050 20 10 DICDRN CCC(CC)CN(CC)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001464189464 1061562233 /nfs/dbraw/zinc/56/22/33/1061562233.db2.gz LVQUPERURILOEK-UHFFFAOYSA-N 0 0 321.442 4.211 20 10 DICDRN OC[C@@H](O)CNc1ccc(/N=N/c2ccccc2)c2ccccc12 ZINC001252064955 1061565423 /nfs/dbraw/zinc/56/54/23/1061565423.db2.gz LPWQPXSTNJOHOE-SKAIHHOBSA-N 0 0 321.380 4.020 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1=CC[C@H](C)CC1 ZINC001464344720 1061580245 /nfs/dbraw/zinc/58/02/45/1061580245.db2.gz BKBKNYVIXRFSRV-INIZCTEOSA-N 0 0 314.473 4.236 20 10 DICDRN Oc1ccccc1CNc1ccnc(CSc2ccccc2)n1 ZINC001458140465 1061593972 /nfs/dbraw/zinc/59/39/72/1061593972.db2.gz CKSANKBNKFQXIY-UHFFFAOYSA-N 0 0 323.421 4.087 20 10 DICDRN CC(C)CCCCCC(=O)NCc1ccc2c(c1)CCCN2C ZINC001464514696 1061600951 /nfs/dbraw/zinc/60/09/51/1061600951.db2.gz YORBYUCOWVBING-UHFFFAOYSA-N 0 0 316.489 4.292 20 10 DICDRN CCOCc1cccc(NC/C=C\c2ccc(N(C)C)cc2)c1 ZINC001474054254 1061602853 /nfs/dbraw/zinc/60/28/53/1061602853.db2.gz UZFWSJVHWVKFKG-VURMDHGXSA-N 0 0 310.441 4.414 20 10 DICDRN CCCCn1ncc(NCc2ccc(N(CC)CC)cc2)c1C ZINC001474090357 1061636143 /nfs/dbraw/zinc/63/61/43/1061636143.db2.gz ZKXBVCOPVRBMFK-UHFFFAOYSA-N 0 0 314.477 4.450 20 10 DICDRN CC[C@@H]1CCC[C@H]1C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC001465003882 1061663263 /nfs/dbraw/zinc/66/32/63/1061663263.db2.gz DATANLFTJRLOPI-HZPDHXFCSA-N 0 0 320.452 4.114 20 10 DICDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccc(N(C)C)cc1 ZINC001474116883 1061666591 /nfs/dbraw/zinc/66/65/91/1061666591.db2.gz JXGZOUQWBCVNPH-LLVKDONJSA-N 0 0 322.811 4.102 20 10 DICDRN CC(C)OC[C@@H](O)CNc1ccc(/N=N/c2ccccc2)cc1 ZINC001252682985 1061693281 /nfs/dbraw/zinc/69/32/81/1061693281.db2.gz GKLBDCUETCGFEH-MKSIGINJSA-N 0 0 313.401 4.300 20 10 DICDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H](C2CC2)C2CCC2)c1 ZINC001474169783 1061716209 /nfs/dbraw/zinc/71/62/09/1061716209.db2.gz ULIDWIQKDKWUTD-HNNXBMFYSA-N 0 0 324.262 4.131 20 10 DICDRN CC[C@H]1CCC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC001465273143 1061723272 /nfs/dbraw/zinc/72/32/72/1061723272.db2.gz FZURFLRKWFNFJM-CMPLNLGQSA-N 0 0 319.426 4.011 20 10 DICDRN CCOC(=O)c1cnc(SC[C@@H](C)c2ccccc2)s1 ZINC001458364895 1061724059 /nfs/dbraw/zinc/72/40/59/1061724059.db2.gz CSVZIHGCSFKWLZ-LLVKDONJSA-N 0 0 307.440 4.216 20 10 DICDRN CN(C)c1ccc(/C=C/CNc2ccc3oc(CO)cc3c2)cc1 ZINC001474197564 1061748444 /nfs/dbraw/zinc/74/84/44/1061748444.db2.gz DAZGXFJNAYQBOB-ONEGZZNKSA-N 0 0 322.408 4.116 20 10 DICDRN CC(C)(C[NH2+]Cc1c([O-])ccc(Cl)c1F)c1ccccc1 ZINC001474203548 1061756782 /nfs/dbraw/zinc/75/67/82/1061756782.db2.gz QVDXRZFTKZUYST-UHFFFAOYSA-N 0 0 307.796 4.252 20 10 DICDRN CCc1nc2sccc2c(NCc2cc(Cl)ccc2O)n1 ZINC001458472733 1061785616 /nfs/dbraw/zinc/78/56/16/1061785616.db2.gz IFKZFXQDILMHLR-UHFFFAOYSA-N 0 0 319.817 4.225 20 10 DICDRN CCN(CC)c1ccc(CNc2ccc(OC)cc2F)cc1F ZINC001474235364 1061796933 /nfs/dbraw/zinc/79/69/33/1061796933.db2.gz PMKFSRMFKGGWNZ-UHFFFAOYSA-N 0 0 320.383 4.432 20 10 DICDRN C[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)c1cc2cnccc2o1 ZINC001474246040 1061811886 /nfs/dbraw/zinc/81/18/86/1061811886.db2.gz YFHZMQIVXVMPGQ-SECBINFHSA-N 0 0 320.751 4.177 20 10 DICDRN COc1ccc(O)c([C@H](C)NC(=O)/C(F)=C/C2CCCCC2)c1 ZINC001465993770 1061854396 /nfs/dbraw/zinc/85/43/96/1061854396.db2.gz WMCOZTSEGAGIDX-KPENOIPVSA-N 0 0 321.392 4.012 20 10 DICDRN CN(C)c1cc(F)c(CNc2ccc(C(C)(C)C)nc2)cc1F ZINC001474290981 1061858763 /nfs/dbraw/zinc/85/87/63/1061858763.db2.gz WJTHLULLHXDDAL-UHFFFAOYSA-N 0 0 319.399 4.335 20 10 DICDRN Cc1ccncc1/C=C\C(=O)N1CCC[C@H](C)c2ccccc21 ZINC001458789934 1061904473 /nfs/dbraw/zinc/90/44/73/1061904473.db2.gz MQNWGRNYGPAVRF-YDZSZYSISA-N 0 0 306.409 4.334 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[C@@H]1C(C)C ZINC001466417842 1061936280 /nfs/dbraw/zinc/93/62/80/1061936280.db2.gz IPTCAEOTBLSHSB-GOSISDBHSA-N 0 0 310.441 4.273 20 10 DICDRN C[C@H](c1ccco1)N(Cc1cc(F)c(N(C)C)cc1F)C1CC1 ZINC001474345576 1061951991 /nfs/dbraw/zinc/95/19/91/1061951991.db2.gz RQYBNATVROCTIV-GFCCVEGCSA-N 0 0 320.383 4.349 20 10 DICDRN CC[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC001474350251 1061956935 /nfs/dbraw/zinc/95/69/35/1061956935.db2.gz IGPPTNLHCSPCGE-OAHLLOKOSA-N 0 0 305.368 4.124 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)C1CCC1 ZINC001466662985 1061983493 /nfs/dbraw/zinc/98/34/93/1061983493.db2.gz VTKRIASUBUQKDX-ZDUSSCGKSA-N 0 0 302.443 4.074 20 10 DICDRN CCS[C@H]1CC[C@H]([N@H+](C)Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001474360472 1061984811 /nfs/dbraw/zinc/98/48/11/1061984811.db2.gz QDZGVBULGRWDTJ-RYUDHWBXSA-N 0 0 317.857 4.291 20 10 DICDRN CC(C)=CCCNC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001466860224 1062014993 /nfs/dbraw/zinc/01/49/93/1062014993.db2.gz GDKXMHXHDQMBKF-UHFFFAOYSA-N 0 0 310.441 4.489 20 10 DICDRN CC(C)(C)c1ccc(-c2cn(CCc3ccc(N)cc3)nn2)cc1 ZINC001254081076 1062020180 /nfs/dbraw/zinc/02/01/80/1062020180.db2.gz KDGIVCQDUKPBCB-UHFFFAOYSA-N 0 0 320.440 4.068 20 10 DICDRN COc1ccc(C[N@H+](C)Cc2c([O-])ccc(Cl)c2F)cc1C ZINC001474384136 1062028316 /nfs/dbraw/zinc/02/83/16/1062028316.db2.gz OJHDIDCWIQIONL-UHFFFAOYSA-N 0 0 323.795 4.134 20 10 DICDRN C[C@@H](NC(=O)[C@]1(C)CC[C@H](C)C1(C)C)c1ccc(N(C)C)cc1 ZINC001459178115 1062036303 /nfs/dbraw/zinc/03/63/03/1062036303.db2.gz KJFPOGYZSKYPFG-MDOVXXIYSA-N 0 0 316.489 4.392 20 10 DICDRN C[C@H](NC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC001459177615 1062036564 /nfs/dbraw/zinc/03/65/64/1062036564.db2.gz INQAFWPCLPDLBL-QSJFSLAZSA-N 0 0 302.462 4.002 20 10 DICDRN Cc1sc(NC(=O)N[C@H](C)c2ccccc2O)nc1C(C)C ZINC001467033727 1062051773 /nfs/dbraw/zinc/05/17/73/1062051773.db2.gz ZTXLKZNENIPCLW-SNVBAGLBSA-N 0 0 319.430 4.163 20 10 DICDRN C=Cc1ccccc1NC(=O)NCc1cc(Cl)ccc1O ZINC001467152223 1062075053 /nfs/dbraw/zinc/07/50/53/1062075053.db2.gz JUMFQCYQDSWFMP-UHFFFAOYSA-N 0 0 302.761 4.010 20 10 DICDRN CN(C)c1cc(F)c(CN(Cc2cccs2)C2CC2)cc1F ZINC001474415081 1062081062 /nfs/dbraw/zinc/08/10/62/1062081062.db2.gz RSGSDKZVKUESKQ-UHFFFAOYSA-N 0 0 322.424 4.257 20 10 DICDRN CC(C)c1ccc(CCN2CCOc3cc(N(C)C)ccc32)cc1 ZINC001474422663 1062093464 /nfs/dbraw/zinc/09/34/64/1062093464.db2.gz OGBVSMNLOSYSCV-UHFFFAOYSA-N 0 0 324.468 4.318 20 10 DICDRN [O-]c1cc(F)c(F)cc1C[NH2+]C1(Cc2ccccc2)CCCC1 ZINC001474425561 1062098149 /nfs/dbraw/zinc/09/81/49/1062098149.db2.gz ITUGAYPBDSGJRA-UHFFFAOYSA-N 0 0 317.379 4.316 20 10 DICDRN COc1ccc2c(c1)CCCN2CCc1ccc(Cl)cc1 ZINC001474428947 1062103472 /nfs/dbraw/zinc/10/34/72/1062103472.db2.gz ZUWFWINIRKQGQC-UHFFFAOYSA-N 0 0 301.817 4.344 20 10 DICDRN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccc2ncsc2c1 ZINC001474459779 1062137528 /nfs/dbraw/zinc/13/75/28/1062137528.db2.gz KVDVHSGKHUBHLJ-VIFPVBQESA-N 0 0 320.364 4.131 20 10 DICDRN CC(C)[C@@H]1CN(Cc2cc(F)c(F)cc2O)c2ccccc21 ZINC001474489516 1062166900 /nfs/dbraw/zinc/16/69/00/1062166900.db2.gz ZZZXBICUASCLKC-AWEZNQCLSA-N 0 0 303.352 4.430 20 10 DICDRN Cc1cc(CN2C[C@H](C)OC[C@H]2c2ccccc2)ccc1N(C)C ZINC001459581003 1062223426 /nfs/dbraw/zinc/22/34/26/1062223426.db2.gz SAWRFWLNCZGIFO-UWJYYQICSA-N 0 0 324.468 4.023 20 10 DICDRN C[C@@H]([NH2+]C[C@@H]1CCc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC001254721690 1062241388 /nfs/dbraw/zinc/24/13/88/1062241388.db2.gz UQNKPPCZKHTZEQ-YPMHNXCESA-N 0 0 303.352 4.051 20 10 DICDRN CCC[C@@H](NC(=O)N[C@H](C)c1ccccc1O)c1ccccc1 ZINC001468075482 1062258115 /nfs/dbraw/zinc/25/81/15/1062258115.db2.gz UPHLZEUMVOUZMQ-RHSMWYFYSA-N 0 0 312.413 4.294 20 10 DICDRN CC(C)c1ccc(-c2nnc(CCc3ccc(O)c(O)c3)o2)cc1 ZINC001254858100 1062267075 /nfs/dbraw/zinc/26/70/75/1062267075.db2.gz PFNIZUITNJMZGZ-UHFFFAOYSA-N 0 0 324.380 4.056 20 10 DICDRN COc1ccc(CNc2ccc(C)c(C)c2Cl)c(O)c1OC ZINC001474596251 1062307622 /nfs/dbraw/zinc/30/76/22/1062307622.db2.gz ARVGOEFHYFSMGA-UHFFFAOYSA-N 0 0 321.804 4.292 20 10 DICDRN CC(C)(C)OCCN1CCCc2cc(OC(F)(F)F)ccc21 ZINC001459692253 1062310146 /nfs/dbraw/zinc/31/01/46/1062310146.db2.gz PRDNPQCUYRTRQD-UHFFFAOYSA-N 0 0 317.351 4.153 20 10 DICDRN COc1ccc(N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1F ZINC001459715412 1062329786 /nfs/dbraw/zinc/32/97/86/1062329786.db2.gz JKAZIAVIHAUFOT-UHFFFAOYSA-N 0 0 324.739 4.032 20 10 DICDRN COc1ccc(N(C)CCCOc2ccccc2C)cc1F ZINC001459713482 1062331286 /nfs/dbraw/zinc/33/12/86/1062331286.db2.gz BWFZZKFXVYZTHJ-UHFFFAOYSA-N 0 0 303.377 4.048 20 10 DICDRN [O-]c1c(F)cccc1C[N@@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC001474616368 1062335429 /nfs/dbraw/zinc/33/54/29/1062335429.db2.gz MYCKQKYNZQDRHP-UHFFFAOYSA-N 0 0 323.367 4.350 20 10 DICDRN Cc1ccc2c(c1)C[N@@H+](Cc1c([O-])ccc(Cl)c1F)CC2 ZINC001474618090 1062338001 /nfs/dbraw/zinc/33/80/01/1062338001.db2.gz MSALPAILWKPVSG-UHFFFAOYSA-N 0 0 305.780 4.051 20 10 DICDRN Cc1cc(Br)c([O-])c(C[NH+](CC2CC2)CC2CC2)c1 ZINC001474635206 1062362088 /nfs/dbraw/zinc/36/20/88/1062362088.db2.gz QBSDZVJEVDSOKN-UHFFFAOYSA-N 0 0 324.262 4.085 20 10 DICDRN C/C(=C/c1cccnc1)C(=O)N1C[C@H](C(C)C)c2ccccc21 ZINC001459752805 1062368007 /nfs/dbraw/zinc/36/80/07/1062368007.db2.gz IYHBMKXNPULHAX-VHUCWBOISA-N 0 0 306.409 4.271 20 10 DICDRN CC(C)CC(CC(C)C)NC(=O)N[C@H](C)c1ccccc1O ZINC001468643894 1062368882 /nfs/dbraw/zinc/36/88/82/1062368882.db2.gz WINLSXLWNDHRRV-CQSZACIVSA-N 0 0 306.450 4.213 20 10 DICDRN CCc1ccc(N(CC(C)C)C(=O)/C=C\c2cccnc2)cc1 ZINC001459812627 1062415952 /nfs/dbraw/zinc/41/59/52/1062415952.db2.gz QHSAMHUMOWMVNI-XFXZXTDPSA-N 0 0 308.425 4.346 20 10 DICDRN CCc1cccc(CN2CCCCC[C@H]2C(F)(F)F)c1O ZINC001474707176 1062434214 /nfs/dbraw/zinc/43/42/14/1062434214.db2.gz QUAOEXAEYZENAA-AWEZNQCLSA-N 0 0 301.352 4.262 20 10 DICDRN C[C@@H](NCc1nccc(Cl)c1Cl)c1ccc(N(C)C)cc1 ZINC001459981051 1062539081 /nfs/dbraw/zinc/53/90/81/1062539081.db2.gz TYGUWFBXOLFLDB-LLVKDONJSA-N 0 0 324.255 4.305 20 10 DICDRN CCC[C@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CCC1 ZINC001469855275 1062647166 /nfs/dbraw/zinc/64/71/66/1062647166.db2.gz YJYNTBFIZNLWJA-KDOFPFPSSA-N 0 0 317.477 4.082 20 10 DICDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC001469876057 1062649390 /nfs/dbraw/zinc/64/93/90/1062649390.db2.gz AMWHUFWKRARFLQ-VBNZEHGJSA-N 0 0 321.848 4.268 20 10 DICDRN CN(C)c1ccc(CNc2ccn(C3CCCCC3)n2)cc1F ZINC001255908780 1062662393 /nfs/dbraw/zinc/66/23/93/1062662393.db2.gz GYOALSDQNWCUHE-UHFFFAOYSA-N 0 0 316.424 4.206 20 10 DICDRN CCc1ccc(N(CC2CC2)C(=O)/C=C/c2cncc(F)c2)cc1 ZINC001460206598 1062698810 /nfs/dbraw/zinc/69/88/10/1062698810.db2.gz LVRMLIUWYLTFCB-JXMROGBWSA-N 0 0 324.399 4.240 20 10 DICDRN C[C@@H](NC(=O)Nc1ccccc1C(F)F)c1ccccc1O ZINC001476779530 1062719053 /nfs/dbraw/zinc/71/90/53/1062719053.db2.gz YLSVAHTZCAHFGL-SNVBAGLBSA-N 0 0 306.312 4.213 20 10 DICDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2CCOCC1CCC1 ZINC001460284602 1062757224 /nfs/dbraw/zinc/75/72/24/1062757224.db2.gz LFAATDBCSFYANE-GOSISDBHSA-N 0 0 317.473 4.147 20 10 DICDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2CCOCC1CCC1 ZINC001460284606 1062759261 /nfs/dbraw/zinc/75/92/61/1062759261.db2.gz LFAATDBCSFYANE-SFHVURJKSA-N 0 0 317.473 4.147 20 10 DICDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2CCC[C@H]1CCOC1 ZINC001460288373 1062761295 /nfs/dbraw/zinc/76/12/95/1062761295.db2.gz YNYBQQGPUJOYJT-WMZOPIPTSA-N 0 0 317.473 4.147 20 10 DICDRN COc1ccc(N(Cc2cc(C3CC3)no2)CC(C)C)cc1 ZINC001460298691 1062767616 /nfs/dbraw/zinc/76/76/16/1062767616.db2.gz KVAJKQRJGPFYRT-UHFFFAOYSA-N 0 0 300.402 4.223 20 10 DICDRN COc1ccc(N(C)Cc2ccc(Br)cc2C)cc1 ZINC001460333848 1062787108 /nfs/dbraw/zinc/78/71/08/1062787108.db2.gz FEDPNDUHNWWDPK-UHFFFAOYSA-N 0 0 320.230 4.403 20 10 DICDRN Cc1ccc(CNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)o1 ZINC001470631044 1062827612 /nfs/dbraw/zinc/82/76/12/1062827612.db2.gz DTIXVDYRWUBCHU-UHFFFAOYSA-N 0 0 322.408 4.234 20 10 DICDRN Cc1cc(CN[C@H](C(F)F)C2CCCCC2)ccc1N(C)C ZINC001460466806 1062866180 /nfs/dbraw/zinc/86/61/80/1062866180.db2.gz XDHKAWHHGBFTHH-KRWDZBQOSA-N 0 0 310.432 4.365 20 10 DICDRN C[C@H](NC(=O)Cc1cc(Cl)cc(Cl)c1)c1ccccc1O ZINC001471194864 1062937769 /nfs/dbraw/zinc/93/77/69/1062937769.db2.gz PHKVTXHXDHIBCP-JTQLQIEISA-N 0 0 324.207 4.119 20 10 DICDRN Cc1c2cccc(F)c2oc1C(=O)N[C@@H](C)c1ccccc1O ZINC001471194071 1062938237 /nfs/dbraw/zinc/93/82/37/1062938237.db2.gz CHFVXTNYXJVKOU-NSHDSACASA-N 0 0 313.328 4.077 20 10 DICDRN C/C(=C\c1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccccc1O ZINC001471196126 1062940505 /nfs/dbraw/zinc/94/05/05/1062940505.db2.gz VKILRCCAHBAMTL-XZHRJIJLSA-N 0 0 315.800 4.326 20 10 DICDRN Cc1ccc(C(=O)N[C@H](C)c2ccccc2O)c2ccccc12 ZINC001471195926 1062941292 /nfs/dbraw/zinc/94/12/92/1062941292.db2.gz RFIVBTYLTLPQCU-CQSZACIVSA-N 0 0 305.377 4.345 20 10 DICDRN O=C(Nc1ccc([C@H](F)C(F)(F)F)cc1)C1=CC(=O)CS1 ZINC001471526814 1062997982 /nfs/dbraw/zinc/99/79/82/1062997982.db2.gz PZUAQVDPRSCIHV-NSHDSACASA-N 0 0 319.279 4.279 20 10 DICDRN C=C/C=C/CCNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC001471635201 1063010991 /nfs/dbraw/zinc/01/09/91/1063010991.db2.gz TXQLVNCELSWHSY-VOTSOKGWSA-N 0 0 308.425 4.265 20 10 DICDRN Cc1cc(C(=O)N[C@H]2CC23CCC3)c(C)n1-c1ccccc1C ZINC001471741989 1063017903 /nfs/dbraw/zinc/01/79/03/1063017903.db2.gz FRFWVYZJWJIZLO-SFHVURJKSA-N 0 0 308.425 4.075 20 10 DICDRN CCOc1ccc(N(C)CCSCc2ccccc2)cc1 ZINC001460741127 1063032631 /nfs/dbraw/zinc/03/26/31/1063032631.db2.gz XMPRCSQEAGKKDQ-UHFFFAOYSA-N 0 0 301.455 4.455 20 10 DICDRN CC(C)[C@H](CC1CCCCC1)C(=O)NCc1c(O)cccc1F ZINC001471975792 1063036917 /nfs/dbraw/zinc/03/69/17/1063036917.db2.gz HQFFFUIGSSWNTP-HNNXBMFYSA-N 0 0 321.436 4.390 20 10 DICDRN CC(C)c1cc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)no1 ZINC001256940589 1063055095 /nfs/dbraw/zinc/05/50/95/1063055095.db2.gz HJINERRVCWRBBR-UHFFFAOYSA-N 0 0 320.352 4.306 20 10 DICDRN FC(F)(F)CCc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256935457 1063055537 /nfs/dbraw/zinc/05/55/37/1063055537.db2.gz LWVPJDCYNZHTEP-UHFFFAOYSA-N 0 0 307.275 4.022 20 10 DICDRN Fc1ccc(F)c(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)c1 ZINC001256940336 1063056215 /nfs/dbraw/zinc/05/62/15/1063056215.db2.gz DDQHXMCYURLGDR-UHFFFAOYSA-N 0 0 323.302 4.473 20 10 DICDRN C[C@@H](c1nnc(-c2ccc(-n3cccc3)cc2)o1)C(F)(F)F ZINC001256970177 1063065268 /nfs/dbraw/zinc/06/52/68/1063065268.db2.gz KYDBTXNSMNEUMK-JTQLQIEISA-N 0 0 307.275 4.193 20 10 DICDRN CCc1csc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)n1 ZINC001256978547 1063067778 /nfs/dbraw/zinc/06/77/78/1063067778.db2.gz NOIMGRFIFVDDCY-UHFFFAOYSA-N 0 0 322.393 4.213 20 10 DICDRN Cc1ccc(C)c(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)n1 ZINC001256987449 1063072966 /nfs/dbraw/zinc/07/29/66/1063072966.db2.gz CAZAJJYOSJQKKT-UHFFFAOYSA-N 0 0 316.364 4.206 20 10 DICDRN CCOC(=O)c1cnc(S[C@H](C)c2ccc(OC)cc2)s1 ZINC001472672267 1063136937 /nfs/dbraw/zinc/13/69/37/1063136937.db2.gz MRTSTDMORBUNBW-SNVBAGLBSA-N 0 0 323.439 4.182 20 10 DICDRN C[C@H](NC(=O)NCc1ccc(C2CCC2)cc1)c1ccccc1O ZINC001478434639 1063171567 /nfs/dbraw/zinc/17/15/67/1063171567.db2.gz YIIOIPDTPKYRCA-AWEZNQCLSA-N 0 0 324.424 4.220 20 10 DICDRN CC(C)[C@@H]1CCC[C@@H](NC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC001478487253 1063190674 /nfs/dbraw/zinc/19/06/74/1063190674.db2.gz SURUHVXREAAHHL-GDBMZVCRSA-N 0 0 316.445 4.022 20 10 DICDRN CCCCN(Cc1ccccc1O)c1ncnc2cccc(C)c21 ZINC001472768516 1063217421 /nfs/dbraw/zinc/21/74/21/1063217421.db2.gz LNQXJFCFGCZZIE-UHFFFAOYSA-N 0 0 321.424 4.451 20 10 DICDRN CC(C)OCc1ccc(NCc2ccc(N(C)C)c(F)c2)cc1 ZINC001461098313 1063251627 /nfs/dbraw/zinc/25/16/27/1063251627.db2.gz HUMQCJSWEXSVDJ-UHFFFAOYSA-N 0 0 316.420 4.429 20 10 DICDRN Cc1cc(CNc2ncc(C)cn2)c(C)n1-c1cccc(C)c1 ZINC001472849819 1063283807 /nfs/dbraw/zinc/28/38/07/1063283807.db2.gz BCQYWMPEVYJTKV-UHFFFAOYSA-N 0 0 306.413 4.113 20 10 DICDRN C[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1ccccc1O ZINC001472855643 1063285034 /nfs/dbraw/zinc/28/50/34/1063285034.db2.gz BHWKBFSMADMFAR-SECBINFHSA-N 0 0 324.283 4.075 20 10 DICDRN C[C@H](C1CC1)n1nccc1NC/C=C/c1ccc(N(C)C)cc1 ZINC001461147553 1063293103 /nfs/dbraw/zinc/29/31/03/1063293103.db2.gz JOWJDHVEZBFETP-MBVDDHJVSA-N 0 0 310.445 4.045 20 10 DICDRN CCC[C@@H](CC)[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC001461169380 1063305553 /nfs/dbraw/zinc/30/55/53/1063305553.db2.gz IVQLGJAPDNNEGC-GFCCVEGCSA-N 0 0 300.240 4.131 20 10 DICDRN CC(C)(C)c1cnc(SCc2nc(CC3CC3)no2)s1 ZINC001473002797 1063349280 /nfs/dbraw/zinc/34/92/80/1063349280.db2.gz TWYJDSMGVBXCNA-UHFFFAOYSA-N 0 0 309.460 4.068 20 10 DICDRN CCS[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001461274777 1063383782 /nfs/dbraw/zinc/38/37/82/1063383782.db2.gz 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[O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1ccc2cccnc2c1 ZINC001461685030 1063656117 /nfs/dbraw/zinc/65/61/17/1063656117.db2.gz VACJVFQWTDKTEU-UHFFFAOYSA-N 0 0 316.763 4.023 20 10 DICDRN Cc1ccc2cnccc2c1NCc1cc(F)cc(F)c1O ZINC001461691028 1063660258 /nfs/dbraw/zinc/66/02/58/1063660258.db2.gz HCLCCERAPUKYFN-UHFFFAOYSA-N 0 0 300.308 4.139 20 10 DICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC001461706675 1063669544 /nfs/dbraw/zinc/66/95/44/1063669544.db2.gz PCOWWEKPPFJBIT-MWLCHTKSSA-N 0 0 323.717 4.171 20 10 DICDRN C[C@@H]1Cc2cc(NCc3c(O)ccc(Cl)c3F)ccc2O1 ZINC001461800914 1063724043 /nfs/dbraw/zinc/72/40/43/1063724043.db2.gz VVBGXKGPMMTAEY-SECBINFHSA-N 0 0 307.752 4.120 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[N@H+](Cc1ccccc1)C1CC1 ZINC001461858239 1063754014 /nfs/dbraw/zinc/75/40/14/1063754014.db2.gz GJUIGXNGZHJOAJ-UHFFFAOYSA-N 0 0 305.780 4.349 20 10 DICDRN CCc1cccc(CN(Cc2ccccc2)CC(F)F)c1O ZINC001461913672 1063793348 /nfs/dbraw/zinc/79/33/48/1063793348.db2.gz KJQWIYKHNSUNEV-UHFFFAOYSA-N 0 0 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321.376 4.199 20 10 DICDRN Fc1ccccc1NC(=S)NNc1cccc2ccccc21 ZINC000747062652 1065075709 /nfs/dbraw/zinc/07/57/09/1065075709.db2.gz SHBVRHRQMYBMIB-UHFFFAOYSA-N 0 0 311.385 4.292 20 10 DICDRN C/C(=C/c1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccccc1O ZINC001302538563 1065091359 /nfs/dbraw/zinc/09/13/59/1065091359.db2.gz VKILRCCAHBAMTL-HHQWOOOKSA-N 0 0 315.800 4.326 20 10 DICDRN C[C@@H](NC(=O)c1cc2c(cccc2C2CC2)[nH]1)c1ccccc1O ZINC001302532648 1065092351 /nfs/dbraw/zinc/09/23/51/1065092351.db2.gz MUXUMSBOWVKLET-GFCCVEGCSA-N 0 0 320.392 4.242 20 10 DICDRN CCCCS[C@H](C)C(=O)NCc1c(O)ccc2ccccc21 ZINC001304089784 1065129353 /nfs/dbraw/zinc/12/93/53/1065129353.db2.gz LPECPRFJJJUGJS-CYBMUJFWSA-N 0 0 317.454 4.083 20 10 DICDRN O=C(/C=C\C=C(Cl)Cl)NCc1c(O)ccc2ccccc21 ZINC001304090723 1065129396 /nfs/dbraw/zinc/12/93/96/1065129396.db2.gz PHRTTWTUHZTMHT-CLTKARDFSA-N 0 0 322.191 4.037 20 10 DICDRN O=C(CCCC1CCCCC1)NCc1cccc(Cl)c1O ZINC001305069962 1065150352 /nfs/dbraw/zinc/15/03/52/1065150352.db2.gz 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IPMFWSBOOMSPRE-UHFFFAOYSA-N 0 0 321.424 4.296 20 10 DICDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1cc(C)ns1 ZINC001307863137 1065658717 /nfs/dbraw/zinc/65/87/17/1065658717.db2.gz DWUHJDRYHYQDMW-HNNXBMFYSA-N 0 0 316.470 4.295 20 10 DICDRN CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC001308205120 1065811960 /nfs/dbraw/zinc/81/19/60/1065811960.db2.gz RGIMOODBNNKOJN-GFCCVEGCSA-N 0 0 321.367 4.308 20 10 DICDRN CCOc1ccc(NCc2ccc(N(C)C)c(F)c2)cc1F ZINC001308218177 1065827326 /nfs/dbraw/zinc/82/73/26/1065827326.db2.gz WCVLGHYFXFKRNI-UHFFFAOYSA-N 0 0 306.356 4.042 20 10 DICDRN C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001308295263 1065890164 /nfs/dbraw/zinc/89/01/64/1065890164.db2.gz NMZOAKDJGYBRRA-RYUDHWBXSA-N 0 0 307.796 4.467 20 10 DICDRN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1cc(Cl)ccc1F ZINC001308353978 1065933948 /nfs/dbraw/zinc/93/39/48/1065933948.db2.gz PGVVOGXJHQBBMW-MRVPVSSYSA-N 0 0 315.722 4.314 20 10 DICDRN CN(C)c1cc(F)c(CNc2ccc3scnc3c2)cc1F ZINC001308392622 1065958665 /nfs/dbraw/zinc/95/86/65/1065958665.db2.gz MPSLETXIADGGLX-UHFFFAOYSA-N 0 0 319.380 4.253 20 10 DICDRN CN(C)c1ccc(/C=C\CNc2cccc3c2OCCCO3)cc1 ZINC001308499502 1066029197 /nfs/dbraw/zinc/02/91/97/1066029197.db2.gz KZEJUGVFKFGDPE-XQRVVYSFSA-N 0 0 324.424 4.039 20 10 DICDRN Oc1cccc(Cl)c1CNc1cnc2c(ccc(F)c2F)c1 ZINC001308510638 1066038156 /nfs/dbraw/zinc/03/81/56/1066038156.db2.gz YNTBRYBQOCZVPC-UHFFFAOYSA-N 0 0 320.726 4.484 20 10 DICDRN [O-]c1c(C[N@H+](CCc2cccc(F)c2)C2CC2)ccc(F)c1F ZINC001308572992 1066085237 /nfs/dbraw/zinc/08/52/37/1066085237.db2.gz CHUASUSEULAPHS-UHFFFAOYSA-N 0 0 321.342 4.017 20 10 DICDRN C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001308574488 1066088362 /nfs/dbraw/zinc/08/83/62/1066088362.db2.gz VXWAIHQZIJQQKQ-PXAZEXFGSA-N 0 0 303.352 4.254 20 10 DICDRN C[C@H]1C[C@H](c2ccccc2F)[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001308574497 1066088621 /nfs/dbraw/zinc/08/86/21/1066088621.db2.gz VXWAIHQZIJQQKQ-YVEFUNNKSA-N 0 0 303.352 4.254 20 10 DICDRN COc1cccc([C@H]2CCC[N@@H+]2Cc2cc(F)cc(F)c2[O-])c1 ZINC001308658832 1066140480 /nfs/dbraw/zinc/14/04/80/1066140480.db2.gz SVMIUFXWHJFJJK-QGZVFWFLSA-N 0 0 319.351 4.016 20 10 DICDRN CC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001308666439 1066145486 /nfs/dbraw/zinc/14/54/86/1066145486.db2.gz PMGWMBGPLOZRNI-MRXNPFEDSA-N 0 0 303.352 4.007 20 10 DICDRN COc1ccc2c(c1)CCCN2Cc1ccc(OCC2CC2)cc1 ZINC001308674554 1066149639 /nfs/dbraw/zinc/14/96/39/1066149639.db2.gz IVFGLDORNFINLK-UHFFFAOYSA-N 0 0 323.436 4.437 20 10 DICDRN C/C(=C\c1ccccc1)C[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC001308686931 1066181333 /nfs/dbraw/zinc/18/13/33/1066181333.db2.gz RFPPRYWNQPOBLS-JLHYYAGUSA-N 0 0 303.352 4.206 20 10 DICDRN [O-]c1cc(F)c(F)cc1C[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001308689844 1066182659 /nfs/dbraw/zinc/18/26/59/1066182659.db2.gz LIOYCLHSUPZBRX-UHFFFAOYSA-N 0 0 303.352 4.228 20 10 DICDRN Cc1cccc(C[N@H+](C)Cc2cc(Cl)cc(F)c2[O-])c1C ZINC001308786769 1066262833 /nfs/dbraw/zinc/26/28/33/1066262833.db2.gz OAKYQCNOYAQKPM-UHFFFAOYSA-N 0 0 307.796 4.434 20 10 DICDRN Cc1cc(CC[NH2+]Cc2ccc(Cl)cc2[O-])ccc1Cl ZINC001308788737 1066264567 /nfs/dbraw/zinc/26/45/67/1066264567.db2.gz VBLBLHBEMLGTBT-UHFFFAOYSA-N 0 0 310.224 4.340 20 10 DICDRN Cc1cc(N(C)C)ccc1CN1CCn2c(cc3ccccc32)C1 ZINC001308789144 1066265214 /nfs/dbraw/zinc/26/52/14/1066265214.db2.gz RXTJMGNCKRAUCK-UHFFFAOYSA-N 0 0 319.452 4.032 20 10 DICDRN COc1cc(C)cc(CN2CCC(C)(C)c3ccccc32)c1O ZINC001308795964 1066272660 /nfs/dbraw/zinc/27/26/60/1066272660.db2.gz YQVPHTJPVYQHHF-UHFFFAOYSA-N 0 0 311.425 4.397 20 10 DICDRN [O-]c1c(F)cccc1C[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC001308821309 1066296767 /nfs/dbraw/zinc/29/67/67/1066296767.db2.gz VSWUDAHASCLEAM-UHFFFAOYSA-N 0 0 321.342 4.021 20 10 DICDRN CCOc1ccc(NCc2ccc(N(C)C)cc2C)c(F)c1 ZINC001308822557 1066298891 /nfs/dbraw/zinc/29/88/91/1066298891.db2.gz DSHKYKIZSYEZTR-UHFFFAOYSA-N 0 0 302.393 4.211 20 10 DICDRN CC1(C)C=Cc2cccc(NCc3cc(F)c(F)cc3O)c2O1 ZINC001308886933 1066368758 /nfs/dbraw/zinc/36/87/58/1066368758.db2.gz NEBPBWWZVVHLGB-UHFFFAOYSA-N 0 0 317.335 4.467 20 10 DICDRN COc1ccc([C@H](C)[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1C ZINC001308934813 1066407015 /nfs/dbraw/zinc/40/70/15/1066407015.db2.gz JZOUJDYLXYCJFZ-NSHDSACASA-N 0 0 323.795 4.353 20 10 DICDRN COc1ccc(C[NH2+]Cc2c([O-])cccc2F)cc1C(C)(C)C ZINC001308948245 1066413607 /nfs/dbraw/zinc/41/36/07/1066413607.db2.gz LMGYHUZXHPMUMO-UHFFFAOYSA-N 0 0 317.404 4.127 20 10 DICDRN C[C@@H]([NH2+][C@H]1CCCc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756342141 1066468123 /nfs/dbraw/zinc/46/81/23/1066468123.db2.gz JITSHDMWRXLMSS-PXAZEXFGSA-N 0 0 312.369 4.029 20 10 DICDRN CCC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000756355501 1066468702 /nfs/dbraw/zinc/46/87/02/1066468702.db2.gz PLBSXMOGNSYBDI-CXAGYDPISA-N 0 0 314.385 4.492 20 10 DICDRN C[C@@H]([NH2+][C@@H](c1cccs1)C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756364256 1066468786 /nfs/dbraw/zinc/46/87/86/1066468786.db2.gz JDIAIGIUPUMMEP-QLJPJBMISA-N 0 0 318.398 4.164 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(C)cc1 ZINC000756350550 1066468922 /nfs/dbraw/zinc/46/89/22/1066468922.db2.gz BMXCFXXOIJFUKY-SUMWQHHRSA-N 0 0 314.385 4.411 20 10 DICDRN CCCCC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001311376000 1066631961 /nfs/dbraw/zinc/63/19/61/1066631961.db2.gz SLRSXHCUFMJRBI-CABCVRRESA-N 0 0 305.466 4.082 20 10 DICDRN C[C@@H]1CCCC[C@@H]1CCNC(=O)NCc1cccc(Cl)c1O ZINC001311984642 1066723271 /nfs/dbraw/zinc/72/32/71/1066723271.db2.gz HKVWQQIOQWSJNH-CHWSQXEVSA-N 0 0 324.852 4.061 20 10 DICDRN C[C@H]1CCCC[C@H]1CCNC(=O)NCc1cccc(Cl)c1O ZINC001311984647 1066723544 /nfs/dbraw/zinc/72/35/44/1066723544.db2.gz HKVWQQIOQWSJNH-STQMWFEESA-N 0 0 324.852 4.061 20 10 DICDRN CC(C)C(CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC001312528296 1066812602 /nfs/dbraw/zinc/81/26/02/1066812602.db2.gz IHGHFJMXLKQVCS-OAHLLOKOSA-N 0 0 319.493 4.041 20 10 DICDRN COc1ccc(O)c(CNc2ccc(C)cc2Br)c1 ZINC000020086845 182185996 /nfs/dbraw/zinc/18/59/96/182185996.db2.gz QXZGGLVTPQIGGJ-UHFFFAOYSA-N 0 0 322.202 4.084 20 10 DICDRN Brc1cccc(OCCSc2nccs2)c1 ZINC000042374122 183260881 /nfs/dbraw/zinc/26/08/81/183260881.db2.gz SQABFWVEVUMZJP-UHFFFAOYSA-N 0 0 316.245 4.077 20 10 DICDRN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)N1CCC[C@@H](O)C1 ZINC000043189322 183343845 /nfs/dbraw/zinc/34/38/45/183343845.db2.gz BEYROHLYLFKJMY-SGRLSNSRSA-N 0 0 324.384 4.091 20 10 DICDRN CC[C@@H](C)[C@H](C)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000272473661 130033315 /nfs/dbraw/zinc/03/33/15/130033315.db2.gz XLRBGBLLMMYTIH-KGLIPLIRSA-N 0 0 322.412 4.017 20 10 DICDRN COc1cc(OC)c(N[C@@H](C)c2cc(C)ccc2O)cc1F ZINC000273449293 130124055 /nfs/dbraw/zinc/12/40/55/130124055.db2.gz OHKQZMWGGHUGII-NSHDSACASA-N 0 0 305.349 4.030 20 10 DICDRN CCc1ccc([C@H](COC)[NH2+][C@@H](C)c2ccc(C)c(C)c2O)o1 ZINC000273581521 130139811 /nfs/dbraw/zinc/13/98/11/130139811.db2.gz MSVFVMSTSCEVDJ-YOEHRIQHSA-N 0 0 317.429 4.203 20 10 DICDRN Cc1ncc(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])s1 ZINC000273587070 130141006 /nfs/dbraw/zinc/14/10/06/130141006.db2.gz OBMIEHQSGPTRFH-SSDOTTSWSA-N 0 0 317.241 4.315 20 10 DICDRN Cc1cc([C@H](C)NCc2ccc(N3CCC(C)CC3)cc2)no1 ZINC000283919469 131032935 /nfs/dbraw/zinc/03/29/35/131032935.db2.gz DOQIXKATJNSAJM-INIZCTEOSA-N 0 0 313.445 4.070 20 10 DICDRN CCOCc1ccc(C[NH2+][C@H](CC)c2ccc(F)cc2[O-])cc1 ZINC000285478491 131171869 /nfs/dbraw/zinc/17/18/69/131171869.db2.gz BJDLPRCWADBVSG-GOSISDBHSA-N 0 0 317.404 4.309 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1[O-] ZINC000285928424 131210046 /nfs/dbraw/zinc/21/00/46/131210046.db2.gz CUMSNRMMRHISOL-NHYWBVRUSA-N 0 0 318.348 4.241 20 10 DICDRN CC[C@H]([NH2+]Cc1nc(C2CC2)cs1)c1ccc(F)cc1[O-] ZINC000285940527 131211565 /nfs/dbraw/zinc/21/15/65/131211565.db2.gz DKNNNKKZHQGBNB-ZDUSSCGKSA-N 0 0 306.406 4.106 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1[O-] ZINC000285996612 131214156 /nfs/dbraw/zinc/21/41/56/131214156.db2.gz IKDGKBVYEADKFD-MEDUHNTESA-N 0 0 318.348 4.241 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)C[C@@H](O)c1cccs1)c1ccc(F)cc1[O-] ZINC000286155384 131222720 /nfs/dbraw/zinc/22/27/20/131222720.db2.gz POUGCCZGFBYCIA-HZUKXOBISA-N 0 0 323.433 4.146 20 10 DICDRN CCc1nc([C@H](C)[NH2+][C@H](CC)c2ccc(F)cc2[O-])cs1 ZINC000286186065 131223517 /nfs/dbraw/zinc/22/35/17/131223517.db2.gz QZKJYWDAIOXXFP-GXFFZTMASA-N 0 0 308.422 4.352 20 10 DICDRN CC[C@H]([NH2+][C@@H](COC)c1ccc(C)o1)c1cccc(Cl)c1[O-] ZINC000287879882 131304234 /nfs/dbraw/zinc/30/42/34/131304234.db2.gz YIRDLRDUHGOIID-GJZGRUSLSA-N 0 0 323.820 4.375 20 10 DICDRN CC[C@H]([NH2+]Cc1ccn(C)c1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287892149 131304554 /nfs/dbraw/zinc/30/45/54/131304554.db2.gz ZBDCHTOWHLHTJJ-AWEZNQCLSA-N 0 0 313.228 4.278 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)c1nnc(C(C)C)[nH]1)c1cccc(Cl)c1[O-] ZINC000287900982 131305787 /nfs/dbraw/zinc/30/57/87/131305787.db2.gz ZQFHNLQNLGAECD-GXFFZTMASA-N 0 0 322.840 4.089 20 10 DICDRN Cc1c2ccccc2n(C)c1CNC(=O)c1occc1C(C)C ZINC000556437793 331704497 /nfs/dbraw/zinc/70/44/97/331704497.db2.gz QDPTWHBUHJDVTO-UHFFFAOYSA-N 0 0 310.397 4.133 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccc(OC)cc1 ZINC000170789232 332636456 /nfs/dbraw/zinc/63/64/56/332636456.db2.gz BCIHVRQMBOVUBR-SJCJKPOMSA-N 0 0 303.377 4.342 20 10 DICDRN CCOc1ccc(N[C@@H](C)c2cc(F)ccc2O)cc1OC ZINC000176983333 332966974 /nfs/dbraw/zinc/96/69/74/332966974.db2.gz WXSRPCMJSQLASN-NSHDSACASA-N 0 0 305.349 4.112 20 10 DICDRN CCC(CC)c1cc(C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])on1 ZINC000187735928 333236984 /nfs/dbraw/zinc/23/69/84/333236984.db2.gz QOAOIAILICUBLV-SNVBAGLBSA-N 0 0 324.371 4.413 20 10 DICDRN COc1cc(OC)c(N[C@@H](C)c2ccccc2O)cc1Cl ZINC000019993665 333295824 /nfs/dbraw/zinc/29/58/24/333295824.db2.gz RZCDXLQSCBBFNW-JTQLQIEISA-N 0 0 307.777 4.236 20 10 DICDRN C1=CCN(c2ccc(CNc3nc4ccccc4s3)cc2)C1 ZINC000301348081 336301805 /nfs/dbraw/zinc/30/18/05/336301805.db2.gz KMDRACZFZFJDQV-UHFFFAOYSA-N 0 0 307.422 4.285 20 10 DICDRN Cc1cc(N(C)C)ccc1CNc1cc(C(F)(F)F)ccn1 ZINC000301519618 336312043 /nfs/dbraw/zinc/31/20/43/336312043.db2.gz MUDXZHCIGQFAEI-UHFFFAOYSA-N 0 0 309.335 4.087 20 10 DICDRN CCN(CC)c1ccc(CNc2nnc(C3CC3)s2)cc1F ZINC000301743011 336327073 /nfs/dbraw/zinc/32/70/73/336327073.db2.gz VRDJCAFEDNWUKH-UHFFFAOYSA-N 0 0 320.437 4.013 20 10 DICDRN CC(C)c1nccc(N(Cc2ccco2)Cc2ccccc2O)n1 ZINC000302001805 336342397 /nfs/dbraw/zinc/34/23/97/336342397.db2.gz SDKWBHYMFXHMKB-UHFFFAOYSA-N 0 0 323.396 4.105 20 10 DICDRN C[C@@H](Nc1ccc(Br)cn1)c1ccc(N(C)C)cc1 ZINC000302361821 336357632 /nfs/dbraw/zinc/35/76/32/336357632.db2.gz FRQLTVOMORXTLF-LLVKDONJSA-N 0 0 320.234 4.083 20 10 DICDRN C[C@H](Nc1ccc(C(F)(F)F)cn1)c1ccc(N(C)C)cc1 ZINC000302410657 336358425 /nfs/dbraw/zinc/35/84/25/336358425.db2.gz MNEUJDNNLBETOG-NSHDSACASA-N 0 0 309.335 4.340 20 10 DICDRN C[C@H](Nc1cc(Cl)nc(C2CC2)n1)c1ccc(N(C)C)cc1 ZINC000302476454 336359534 /nfs/dbraw/zinc/35/95/34/336359534.db2.gz XKTGMYOINJPFTB-NSHDSACASA-N 0 0 316.836 4.247 20 10 DICDRN CC(C)n1ncc2c1[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])CCC2 ZINC000375176617 337005265 /nfs/dbraw/zinc/00/52/65/337005265.db2.gz BAAIYXMNTWGEHB-WBMJQRKESA-N 0 0 317.408 4.037 20 10 DICDRN C[C@@H](N[C@@H](c1nccs1)c1ccccc1)c1ccccc1O ZINC000183471591 337191874 /nfs/dbraw/zinc/19/18/74/337191874.db2.gz TYVHETYFMGZWKE-CXAGYDPISA-N 0 0 310.422 4.289 20 10 DICDRN COc1ccccc1[C@@H](N[C@H](C)c1ccccc1O)c1ccco1 ZINC000183621851 337193888 /nfs/dbraw/zinc/19/38/88/337193888.db2.gz PFSOMUXWGSLZSY-JLTOFOAXSA-N 0 0 323.392 4.434 20 10 DICDRN C[C@H]([NH2+][C@H]1CCCOc2ccccc21)c1ccc(F)cc1[O-] ZINC000185270468 337203916 /nfs/dbraw/zinc/20/39/16/337203916.db2.gz YYGTURLHPANNRA-LRDDRELGSA-N 0 0 301.361 4.096 20 10 DICDRN C[C@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1ccc(F)cc1[O-] ZINC000527962106 337780332 /nfs/dbraw/zinc/78/03/32/337780332.db2.gz FCEUUAQPFSAIAO-KPZWWZAWSA-N 0 0 300.377 4.118 20 10 DICDRN Fc1ccc2c(C3=CCN(c4ncccc4F)CC3)c[nH]c2c1 ZINC000439617003 338374736 /nfs/dbraw/zinc/37/47/36/338374736.db2.gz 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CC(C)c1cccc(NC(=S)NCc2ccccc2O)c1 ZINC000748157037 1037006960 /nfs/dbraw/zinc/00/69/60/1037006960.db2.gz JABMLYPAIPNHOT-UHFFFAOYSA-N 0 0 300.427 4.002 20 10 DICDRN CCCCC[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)C(C)C ZINC001125465315 1037253688 /nfs/dbraw/zinc/25/36/88/1037253688.db2.gz UIMMKAMIXKPMTL-INIZCTEOSA-N 0 0 322.468 4.360 20 10 DICDRN CSCc1ccccc1NC(=O)N[C@H](C)c1ccccc1O ZINC001203155892 1037422218 /nfs/dbraw/zinc/42/22/18/1037422218.db2.gz BIDCMWZVIRHBCX-GFCCVEGCSA-N 0 0 316.426 4.138 20 10 DICDRN CCC[C@H](C)CCCOc1ccc(N(C)C)c(C(=O)OC)c1 ZINC001307389174 1037430269 /nfs/dbraw/zinc/43/02/69/1037430269.db2.gz OCMXOFZMOSIHGI-AWEZNQCLSA-N 0 0 307.434 4.134 20 10 DICDRN Oc1cccc(Br)c1CNc1ccc(F)cc1F ZINC000706868823 1037520064 /nfs/dbraw/zinc/52/00/64/1037520064.db2.gz RIGWUMIALHMLPQ-UHFFFAOYSA-N 0 0 314.129 4.045 20 10 DICDRN CC[C@@H]([NH2+]CC[C@H](C)CCO)c1ccc(Cl)c(Cl)c1[O-] ZINC000834829951 1037593220 /nfs/dbraw/zinc/59/32/20/1037593220.db2.gz AGMQGPBMDDDXTN-GXFFZTMASA-N 0 0 320.260 4.148 20 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/nfs/dbraw/zinc/65/12/74/1039651274.db2.gz FJJSXOIWXBVRTB-NSHDSACASA-N 0 0 314.435 4.416 20 10 DICDRN CCCNc1ccc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])cc1 ZINC000278693493 1039652345 /nfs/dbraw/zinc/65/23/45/1039652345.db2.gz KNXCVTSLKHPQFJ-LBPRGKRZSA-N 0 0 320.383 4.343 20 10 DICDRN CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2nccs2)cc1 ZINC000052914381 1039652446 /nfs/dbraw/zinc/65/24/46/1039652446.db2.gz PYKGLFYGWLIESA-VXGBXAGGSA-N 0 0 320.483 4.064 20 10 DICDRN C[C@@H]([NH2+]Cc1cc(Br)ccc1O)c1ccsc1 ZINC000235223565 1039761378 /nfs/dbraw/zinc/76/13/78/1039761378.db2.gz UZZJTADCFAUCTE-SECBINFHSA-N 0 0 312.232 4.067 20 10 DICDRN Cc1cccc(C)c1NC1=NC(=O)C(=Cc2ccc(O)cc2)S1 ZINC000211895538 1039778605 /nfs/dbraw/zinc/77/86/05/1039778605.db2.gz QBVCCLLTGVEWKX-GDNBJRDFSA-N 0 0 324.405 4.091 20 10 DICDRN Oc1cccc2c1[C@H](Nc1ccc(N3CCCCC3)cc1)CC2 ZINC000324085976 1039870474 /nfs/dbraw/zinc/87/04/74/1039870474.db2.gz ZUJGDPVIJKSYML-GOSISDBHSA-N 0 0 308.425 4.482 20 10 DICDRN Cc1cnc(CNCc2cc(C)n(-c3ccccc3)c2C)s1 ZINC000318273180 1039872803 /nfs/dbraw/zinc/87/28/03/1039872803.db2.gz BWOMIQWTIIVXOA-UHFFFAOYSA-N 0 0 311.454 4.149 20 10 DICDRN COc1cccc(C[NH2+]Cc2cc(Cl)sc2Cl)c1O ZINC000312747077 1039927578 /nfs/dbraw/zinc/92/75/78/1039927578.db2.gz PVBDTDHEVHAQQI-UHFFFAOYSA-N 0 0 318.225 4.059 20 10 DICDRN COc1ccc(CNc2cc(SC)ccc2C)c(O)c1OC ZINC000892404081 1040119985 /nfs/dbraw/zinc/11/99/85/1040119985.db2.gz XJDUZNOXYZMBJQ-UHFFFAOYSA-N 0 0 319.426 4.052 20 10 DICDRN O=S(=O)(Nc1ccc(N=Nc2ccccc2)cc1)C1CC1 ZINC000255766537 1040472125 /nfs/dbraw/zinc/47/21/25/1040472125.db2.gz CHPKQEHVXSCPEU-UHFFFAOYSA-N 0 0 301.371 4.006 20 10 DICDRN CC[C@@H]([NH2+]CCc1nc(C)c(C)s1)c1cccc(Cl)c1[O-] ZINC000806144567 1041090798 /nfs/dbraw/zinc/09/07/98/1041090798.db2.gz RQYSNKOVESRBGU-CQSZACIVSA-N 0 0 324.877 4.402 20 10 DICDRN O=C1NC(=S)S/C1=C/c1ccc(-c2cccc(F)c2)s1 ZINC000255925167 1041200923 /nfs/dbraw/zinc/20/09/23/1041200923.db2.gz QXICURIBJIFOLX-KPKJPENVSA-N 0 0 321.423 4.043 20 10 DICDRN Oc1ccccc1C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000809690271 1041215958 /nfs/dbraw/zinc/21/59/58/1041215958.db2.gz LYQYNKNKZLQPMP-LJQANCHMSA-N 0 0 317.379 4.454 20 10 DICDRN Oc1ccccc1C[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000809690270 1041216911 /nfs/dbraw/zinc/21/69/11/1041216911.db2.gz LYQYNKNKZLQPMP-IBGZPJMESA-N 0 0 317.379 4.454 20 10 DICDRN CCC[N@H+](CCc1ccccn1)Cc1cc(Cl)cc(F)c1[O-] ZINC000809735032 1041226707 /nfs/dbraw/zinc/22/67/07/1041226707.db2.gz VZMPWZUSKKJAFF-UHFFFAOYSA-N 0 0 322.811 4.034 20 10 DICDRN COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)cc1F ZINC000176984553 1041229196 /nfs/dbraw/zinc/22/91/96/1041229196.db2.gz WZVLRSSMXBDUAH-MNOVXSKESA-N 0 0 307.340 4.091 20 10 DICDRN COc1ccsc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809773874 1041237726 /nfs/dbraw/zinc/23/77/26/1041237726.db2.gz BNBLILMVXVFIEC-UHFFFAOYSA-N 0 0 318.225 4.059 20 10 DICDRN CC[N@H+](Cc1c([O-])ccc(Cl)c1F)[C@@H](C)c1cccnc1 ZINC000809765346 1041250385 /nfs/dbraw/zinc/25/03/85/1041250385.db2.gz MWJZEKZKRKVKPL-NSHDSACASA-N 0 0 308.784 4.163 20 10 DICDRN CCN(Cc1cc(C(C)(C)C)on1)c1ccc(OC)c(OC)c1 ZINC000809956947 1041285121 /nfs/dbraw/zinc/28/51/21/1041285121.db2.gz QCNIHMPWNVSKSN-UHFFFAOYSA-N 0 0 318.417 4.016 20 10 DICDRN CCCCCC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC001132011605 1041294558 /nfs/dbraw/zinc/29/45/58/1041294558.db2.gz RWBWNKJRGTWOQC-UHFFFAOYSA-N 0 0 312.457 4.333 20 10 DICDRN Cc1cc(CNC(=O)C[C@H](C)C2CC2)c(C)n1-c1cccc(C)c1 ZINC001132043147 1041303855 /nfs/dbraw/zinc/30/38/55/1041303855.db2.gz BLCFVOUMRHBOJG-HNNXBMFYSA-N 0 0 324.468 4.455 20 10 DICDRN Cc1cc(CNC(=O)/C=C2\CC[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC001132048475 1041309707 /nfs/dbraw/zinc/30/97/07/1041309707.db2.gz WKQTVNNHSWUUNN-COYFKBPASA-N 0 0 322.452 4.457 20 10 DICDRN CC[C@H](C[NH2+][C@H](CC)c1cc(Cl)cc(Cl)c1[O-])OC ZINC000810258906 1041350141 /nfs/dbraw/zinc/35/01/41/1041350141.db2.gz YTIOXGQLAWCAAI-ZWNOBZJWSA-N 0 0 306.233 4.165 20 10 DICDRN CC[C@@H](N[C@H](C)C(F)(F)F)c1ccc(C(F)(F)F)cc1O ZINC000810239463 1041353713 /nfs/dbraw/zinc/35/37/13/1041353713.db2.gz CNQDZXSKEBJFRQ-GMSGAONNSA-N 0 0 315.257 4.403 20 10 DICDRN CC(C)N(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000810255000 1041357146 /nfs/dbraw/zinc/35/71/46/1041357146.db2.gz UCRQHWZRVNREMP-GHMZBOCLSA-N 0 0 319.276 4.078 20 10 DICDRN CC(C)OC1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000695090415 1041361275 /nfs/dbraw/zinc/36/12/75/1041361275.db2.gz QBAWKCMFHGJBTN-UHFFFAOYSA-N 0 0 318.244 4.088 20 10 DICDRN CC/C=C(\C)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001132263158 1041387930 /nfs/dbraw/zinc/38/79/30/1041387930.db2.gz ACSJDFKBMOXPOI-OVCLIPMQSA-N 0 0 310.441 4.375 20 10 DICDRN Cc1cc(CNC(=O)C2CC(C)(C)C2)c(C)n1-c1ccccc1 ZINC001132267109 1041388103 /nfs/dbraw/zinc/38/81/03/1041388103.db2.gz APEQVAMGSJYANT-UHFFFAOYSA-N 0 0 310.441 4.147 20 10 DICDRN C[C@H](N[C@@H](C)c1c(F)cccc1F)c1ccc(N(C)C)cc1 ZINC000314547229 1041496670 /nfs/dbraw/zinc/49/66/70/1041496670.db2.gz JYFYZIKYKQDVBR-STQMWFEESA-N 0 0 304.384 4.443 20 10 DICDRN COc1ccc(N(C)Cc2ccnc(Cl)c2Cl)cc1F ZINC000811488098 1041522841 /nfs/dbraw/zinc/52/28/41/1041522841.db2.gz JPCQXHAIQYHDMU-UHFFFAOYSA-N 0 0 315.175 4.173 20 10 DICDRN COc1cccc(CN2C[C@@H](C)CSc3ccccc32)c1O ZINC000811509191 1041533002 /nfs/dbraw/zinc/53/30/02/1041533002.db2.gz LTYQGSUQOQPHIP-CYBMUJFWSA-N 0 0 315.438 4.149 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000811513810 1041535141 /nfs/dbraw/zinc/53/51/41/1041535141.db2.gz RGEPRUJXYRUIQA-WBVHZDCISA-N 0 0 317.816 4.056 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCCC2(CC2)C1 ZINC000830141175 1041583518 /nfs/dbraw/zinc/58/35/18/1041583518.db2.gz NZLMMXYLZUZSEY-HNNXBMFYSA-N 0 0 301.430 4.101 20 10 DICDRN c1cc(NCc2ccc(N3CCCCC3)cc2)cc2c1OCC2 ZINC000236678220 1041586366 /nfs/dbraw/zinc/58/63/66/1041586366.db2.gz XKUMGHQBGSXRBC-UHFFFAOYSA-N 0 0 308.425 4.224 20 10 DICDRN C[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C)c1ccc(F)cc1[O-] ZINC000185488758 1041614924 /nfs/dbraw/zinc/61/49/24/1041614924.db2.gz QZZZHHLJBIEBKQ-DCGLDWPTSA-N 0 0 309.425 4.023 20 10 DICDRN Cc1ccc(O)c([C@@H](C)Nc2cnn(-c3ccccc3F)c2)c1 ZINC000186355445 1041630307 /nfs/dbraw/zinc/63/03/07/1041630307.db2.gz ZYFGIDXJOROQDA-CYBMUJFWSA-N 0 0 311.360 4.199 20 10 DICDRN CO[C@](C)(C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-])C1CC1 ZINC000812735106 1041642824 /nfs/dbraw/zinc/64/28/24/1041642824.db2.gz XIAMOBAVCGRLKU-RFAUZJTJSA-N 0 0 318.244 4.165 20 10 DICDRN CO[C@](C)(C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])C1CC1 ZINC000812735104 1041642880 /nfs/dbraw/zinc/64/28/80/1041642880.db2.gz XIAMOBAVCGRLKU-BJOHPYRUSA-N 0 0 318.244 4.165 20 10 DICDRN Cc1nn(C)c2cc(NCc3cc(Cl)cc(C)c3O)ccc12 ZINC000812774576 1041645574 /nfs/dbraw/zinc/64/55/74/1041645574.db2.gz RIGPOWVHNMXVLF-UHFFFAOYSA-N 0 0 315.804 4.161 20 10 DICDRN COCCn1c(C)c(C)c2cc(C(=O)OC3CCCC3)ccc21 ZINC000728769745 1041646179 /nfs/dbraw/zinc/64/61/79/1041646179.db2.gz JHFCPLYSXBWIFP-UHFFFAOYSA-N 0 0 315.413 4.004 20 10 DICDRN Cc1ncn(-c2ccc(NCc3cc(C)c(C)cc3O)cc2)c1C ZINC000812784356 1041646740 /nfs/dbraw/zinc/64/67/40/1041646740.db2.gz JTKIXARVLAEYAJ-UHFFFAOYSA-N 0 0 321.424 4.424 20 10 DICDRN COc1ccc2c(c1)CCCN2Cc1cncc(C(F)(F)F)c1 ZINC000812823035 1041650120 /nfs/dbraw/zinc/65/01/20/1041650120.db2.gz RXAIXDJNZHMSNF-UHFFFAOYSA-N 0 0 322.330 4.062 20 10 DICDRN CCC[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1ccccn1 ZINC000756531724 1041687302 /nfs/dbraw/zinc/68/73/02/1041687302.db2.gz BOTJIHRPGDETRD-ZBEGNZNMSA-N 0 0 306.356 4.257 20 10 DICDRN CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756535491 1041695319 /nfs/dbraw/zinc/69/53/19/1041695319.db2.gz NGNVGFVYVNONHW-QWRGUYRKSA-N 0 0 319.276 4.080 20 10 DICDRN CCSc1cccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])c1 ZINC000813884445 1041742438 /nfs/dbraw/zinc/74/24/38/1041742438.db2.gz LXEYMYDXRUAWEA-GFCCVEGCSA-N 0 0 305.418 4.494 20 10 DICDRN CC[C@H]([NH2+]CC(C)(C)COC)c1ccc(Cl)c(Cl)c1[O-] ZINC000813883068 1041742723 /nfs/dbraw/zinc/74/27/23/1041742723.db2.gz PXNRSRNERWTYCK-LBPRGKRZSA-N 0 0 320.260 4.412 20 10 DICDRN Cc1ccoc1C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000814175629 1041778666 /nfs/dbraw/zinc/77/86/66/1041778666.db2.gz XQOLOMYIFDWCLQ-UHFFFAOYSA-N 0 0 300.185 4.232 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000814170459 1041782741 /nfs/dbraw/zinc/78/27/41/1041782741.db2.gz WRHTYLJPIHXOQJ-LLVKDONJSA-N 0 0 303.780 4.351 20 10 DICDRN O=C1/C(=C/c2cccc(Cl)c2)SC(=S)N1C1CCC1 ZINC000814186189 1041787975 /nfs/dbraw/zinc/78/79/75/1041787975.db2.gz VVSLTLSVXMOYNH-WQLSENKSSA-N 0 0 309.843 4.094 20 10 DICDRN CC(C)c1ncc(/C=C2\SC(=S)N(C3CCC3)C2=O)s1 ZINC000814186213 1041787983 /nfs/dbraw/zinc/78/79/83/1041787983.db2.gz WMVXPWPFQUYORJ-WDZFZDKYSA-N 0 0 324.496 4.020 20 10 DICDRN Cc1cc(C)cc(/C=C2\SC(=S)N(C3CCC3)C2=O)c1 ZINC000814185698 1041788035 /nfs/dbraw/zinc/78/80/35/1041788035.db2.gz NPSFWFSBPSNTPS-ZROIWOOFSA-N 0 0 303.452 4.057 20 10 DICDRN C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)c1cccc(O)c1 ZINC000194887678 1041795808 /nfs/dbraw/zinc/79/58/08/1041795808.db2.gz RMMNPXMUDALSIS-QGZVFWFLSA-N 0 0 324.468 4.479 20 10 DICDRN COc1ccc(Cl)cc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000162771898 1041804176 /nfs/dbraw/zinc/80/41/76/1041804176.db2.gz YFXYCTQOKOJNAP-ZDUSSCGKSA-N 0 0 318.848 4.265 20 10 DICDRN CN(C)c1ccc(Cn2c3ccccc3nc2C(F)(F)F)cc1 ZINC000814740009 1041860589 /nfs/dbraw/zinc/86/05/89/1041860589.db2.gz FUKCEDDVGGHLFK-UHFFFAOYSA-N 0 0 319.330 4.169 20 10 DICDRN CN(C)c1ccc(CN(C(=O)CCCC(C)(C)C)C2CC2)cc1 ZINC000728811428 1041862118 /nfs/dbraw/zinc/86/21/18/1041862118.db2.gz XUSMOIHXKHKWKY-UHFFFAOYSA-N 0 0 316.489 4.460 20 10 DICDRN Cc1cc(N(C)C)ccc1CNC(=O)CCCCCC(C)C ZINC001126004479 1041868670 /nfs/dbraw/zinc/86/86/70/1041868670.db2.gz DYRQQSBZDPGQFN-UHFFFAOYSA-N 0 0 304.478 4.284 20 10 DICDRN Oc1ccccc1CNc1nc(-c2ccccc2F)cs1 ZINC000814836660 1041874531 /nfs/dbraw/zinc/87/45/31/1041874531.db2.gz XRRVUUQNZUBMSG-UHFFFAOYSA-N 0 0 300.358 4.267 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)CCc2ccccc2C)cc1 ZINC000728816022 1041907224 /nfs/dbraw/zinc/90/72/24/1041907224.db2.gz RZMQBINIYPEFEL-UHFFFAOYSA-N 0 0 324.468 4.090 20 10 DICDRN Oc1ccc(Br)cc1CNc1cccc(C2CC2)n1 ZINC000815143802 1041925289 /nfs/dbraw/zinc/92/52/89/1041925289.db2.gz NXAUJBDPYSIJLU-UHFFFAOYSA-N 0 0 319.202 4.039 20 10 DICDRN CC(C)(CC(=O)NCc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000815136154 1041925333 /nfs/dbraw/zinc/92/53/33/1041925333.db2.gz ZLQZUCVFVACKMD-UHFFFAOYSA-N 0 0 314.473 4.119 20 10 DICDRN Cc1nc(Cl)c(Nc2ccc(N)cc2)cc1Br ZINC001159303464 1041927325 /nfs/dbraw/zinc/92/73/25/1041927325.db2.gz ADDKGQYOIBRHAM-UHFFFAOYSA-N 0 0 312.598 4.132 20 10 DICDRN Cc1cc(N(C)C)ccc1CNC(=O)C1(C2CCCCC2)CC1 ZINC001126082374 1041932848 /nfs/dbraw/zinc/93/28/48/1041932848.db2.gz LCIMFBDAPXSACK-UHFFFAOYSA-N 0 0 314.473 4.038 20 10 DICDRN C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])Oc1ccccc1Cl ZINC000756731677 1041946765 /nfs/dbraw/zinc/94/67/65/1041946765.db2.gz HXYAVEAAQKXLGE-NEPJUHHUSA-N 0 0 323.795 4.303 20 10 DICDRN CCCCOCCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815553034 1041962067 /nfs/dbraw/zinc/96/20/67/1041962067.db2.gz QFUFEKCCQKPFCS-GFCCVEGCSA-N 0 0 319.367 4.268 20 10 DICDRN COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815584092 1041967337 /nfs/dbraw/zinc/96/73/37/1041967337.db2.gz VJCAVJZXUHXAFL-MNOVXSKESA-N 0 0 319.367 4.265 20 10 DICDRN C[C@H]([NH2+]C1Cc2ccccc2C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815616628 1041974823 /nfs/dbraw/zinc/97/48/23/1041974823.db2.gz TZMHLHIRYNLUND-NSHDSACASA-N 0 0 321.342 4.229 20 10 DICDRN C[C@H](CC(F)(F)F)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815617492 1041975013 /nfs/dbraw/zinc/97/50/13/1041975013.db2.gz OJVRMCHPJMCGHS-HTQZYQBOSA-N 0 0 315.257 4.403 20 10 DICDRN C[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815617495 1041975483 /nfs/dbraw/zinc/97/54/83/1041975483.db2.gz OJVRMCHPJMCGHS-YUMQZZPRSA-N 0 0 315.257 4.403 20 10 DICDRN CO[C@H]1Cc2ccc(N[C@H](C)c3c(C)cc(C)cc3O)cc2C1 ZINC000815616539 1041975558 /nfs/dbraw/zinc/97/55/58/1041975558.db2.gz QNPIUOUGUCXBPV-KDOFPFPSSA-N 0 0 311.425 4.296 20 10 DICDRN CC(C)SCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815625374 1041977659 /nfs/dbraw/zinc/97/76/59/1041977659.db2.gz BQWDFCNKOHGYAB-JTQLQIEISA-N 0 0 307.381 4.203 20 10 DICDRN CC[C@@H](Nc1cc(OC)c(C)c(OC)c1)c1ccccc1O ZINC000815630910 1041978388 /nfs/dbraw/zinc/97/83/88/1041978388.db2.gz CGRJFSKDSSRQBM-OAHLLOKOSA-N 0 0 301.386 4.281 20 10 DICDRN C[C@@H](F)CC[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000815645604 1041983293 /nfs/dbraw/zinc/98/32/93/1041983293.db2.gz KWQHXTOORJTFIY-SFYZADRCSA-N 0 0 324.621 4.207 20 10 DICDRN C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000815648222 1041984492 /nfs/dbraw/zinc/98/44/92/1041984492.db2.gz HJAZDEQKDBAMAL-FFSVYQOJSA-N 0 0 303.352 4.125 20 10 DICDRN CCN(C)c1ccc([C@H](C)NCc2c(F)cc(F)cc2F)cc1 ZINC000815649241 1041984715 /nfs/dbraw/zinc/98/47/15/1041984715.db2.gz KIHXMLKMKHRBDM-LBPRGKRZSA-N 0 0 322.374 4.411 20 10 DICDRN CC[C@H]([NH2+]C[C@@H](OC)C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000815651630 1041985334 /nfs/dbraw/zinc/98/53/34/1041985334.db2.gz YNPVQPGDQNRBOG-QWHCGFSZSA-N 0 0 318.244 4.165 20 10 DICDRN CC[C@@H]([NH2+]C[C@H](OC)C1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000815651124 1041985352 /nfs/dbraw/zinc/98/53/52/1041985352.db2.gz KRJDJPZWWBPUNO-KGLIPLIRSA-N 0 0 318.244 4.165 20 10 DICDRN CC[C@H]([NH2+]C[C@H](OC)C1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000815651123 1041986005 /nfs/dbraw/zinc/98/60/05/1041986005.db2.gz KRJDJPZWWBPUNO-KBPBESRZSA-N 0 0 318.244 4.165 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)c1cc(F)ccc1Cl ZINC000815797281 1041993979 /nfs/dbraw/zinc/99/39/79/1041993979.db2.gz JXURAEXEWWZPQQ-UHFFFAOYSA-N 0 0 321.779 4.237 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])c1c(C)noc1C ZINC000756776737 1042015898 /nfs/dbraw/zinc/01/58/98/1042015898.db2.gz QMNNGEBGSVKNIU-XLKFXECMSA-N 0 0 310.344 4.077 20 10 DICDRN Cc1ccc(NC(=O)c2cc3cc(O)c(O)cc3s2)cc1C ZINC001135421764 1042030211 /nfs/dbraw/zinc/03/02/11/1042030211.db2.gz UYTZSKMTWOEUPD-UHFFFAOYSA-N 0 0 313.378 4.182 20 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QAKQQCOYYAZSBI-MRXNPFEDSA-N 0 0 305.780 4.352 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000816545511 1042062882 /nfs/dbraw/zinc/06/28/82/1042062882.db2.gz SZLPCRHYVTWXND-OAHLLOKOSA-N 0 0 321.779 4.188 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CSCc2ccccc21 ZINC000816541779 1042062942 /nfs/dbraw/zinc/06/29/42/1042062942.db2.gz UMOWOUSDTNNPAX-HNNXBMFYSA-N 0 0 323.820 4.262 20 10 DICDRN Oc1c(CNc2ccc3c(c2)OCCCO3)ccc2ccccc21 ZINC000816536808 1042062969 /nfs/dbraw/zinc/06/29/69/1042062969.db2.gz KNKKMZJYSORTQK-UHFFFAOYSA-N 0 0 321.376 4.319 20 10 DICDRN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1c(F)cccc1F ZINC000816536537 1042063275 /nfs/dbraw/zinc/06/32/75/1042063275.db2.gz BVKYCPTWXFBFAU-QMMMGPOBSA-N 0 0 315.722 4.314 20 10 DICDRN C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816546802 1042063470 /nfs/dbraw/zinc/06/34/70/1042063470.db2.gz WSAJZMCJLLNANV-BTDLBPIBSA-N 0 0 305.780 4.208 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000816540752 1042063581 /nfs/dbraw/zinc/06/35/81/1042063581.db2.gz UGFGDYDRAGMLNT-HNNXBMFYSA-N 0 0 309.743 4.101 20 10 DICDRN COc1ccc(NCc2ccc3ccccc3c2O)c(OC)c1 ZINC000816522075 1042064252 /nfs/dbraw/zinc/06/42/52/1042064252.db2.gz JJZIMCUYFASUKQ-UHFFFAOYSA-N 0 0 309.365 4.175 20 10 DICDRN COc1ccc(NCc2ccc3ccccc3c2O)cc1OC ZINC000816523038 1042064423 /nfs/dbraw/zinc/06/44/23/1042064423.db2.gz ZMPWXCNVHWBXAY-UHFFFAOYSA-N 0 0 309.365 4.175 20 10 DICDRN C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816548061 1042064504 /nfs/dbraw/zinc/06/45/04/1042064504.db2.gz SIOKVSUYMMQTAN-NSHDSACASA-N 0 0 323.795 4.001 20 10 DICDRN Oc1cc(F)c(Cl)cc1CNc1ccc(N2CCCC2)cc1 ZINC000816522911 1042065230 /nfs/dbraw/zinc/06/52/30/1042065230.db2.gz UPPOUUPUMPTEGB-UHFFFAOYSA-N 0 0 320.795 4.397 20 10 DICDRN Cn1ccc2cccc(NCc3cc(Cl)c(F)cc3O)c21 ZINC000816589073 1042065791 /nfs/dbraw/zinc/06/57/91/1042065791.db2.gz KUKNJWHTPTXGKX-UHFFFAOYSA-N 0 0 304.752 4.289 20 10 DICDRN CC(=O)Nc1ccc(NCc2ccc3ccccc3c2O)cc1C ZINC000816524108 1042066518 /nfs/dbraw/zinc/06/65/18/1042066518.db2.gz QTIPXMGREPAEJY-UHFFFAOYSA-N 0 0 320.392 4.424 20 10 DICDRN CC1(C)Oc2ccc(NCc3cc(Cl)c(F)cc3O)cc2O1 ZINC000816564213 1042068919 /nfs/dbraw/zinc/06/89/19/1042068919.db2.gz XWCHOLRVPHEAEC-UHFFFAOYSA-N 0 0 323.751 4.304 20 10 DICDRN Oc1cc(F)c(Cl)cc1CNc1cncc2ccccc21 ZINC000816559630 1042069341 /nfs/dbraw/zinc/06/93/41/1042069341.db2.gz PWRJGMPPKPNPKA-UHFFFAOYSA-N 0 0 302.736 4.345 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1(Cc2ccccc2)CC1 ZINC000816572593 1042069792 /nfs/dbraw/zinc/06/97/92/1042069792.db2.gz WNXJTUOUMPUTDN-UHFFFAOYSA-N 0 0 305.780 4.050 20 10 DICDRN COc1cc(Cl)cc(C[NH2+]Cc2coc3ccccc23)c1O ZINC000816627615 1042070240 /nfs/dbraw/zinc/07/02/40/1042070240.db2.gz RVNQTOJHAXRDJS-UHFFFAOYSA-N 0 0 317.772 4.090 20 10 DICDRN Oc1ccccc1CN1CC[C@@H](C(F)(F)F)c2ccccc21 ZINC000816629879 1042070334 /nfs/dbraw/zinc/07/03/34/1042070334.db2.gz FGFNQTWGJBLVEJ-CQSZACIVSA-N 0 0 307.315 4.448 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000816599599 1042072079 /nfs/dbraw/zinc/07/20/79/1042072079.db2.gz SAHLCBUXQIUAKZ-SECBINFHSA-N 0 0 307.743 4.100 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000816598682 1042072224 /nfs/dbraw/zinc/07/22/24/1042072224.db2.gz LVNBWDFDPKQGKU-MQMHXKEQSA-N 0 0 305.780 4.221 20 10 DICDRN COc1cc(NCc2cc(Cl)cc(C)c2O)cc(OC)c1C ZINC000816620161 1042075023 /nfs/dbraw/zinc/07/50/23/1042075023.db2.gz KZEQBGKHUWPISN-UHFFFAOYSA-N 0 0 321.804 4.292 20 10 DICDRN CN(Cc1c(F)cccc1F)Cc1c(O)ccc2ccccc21 ZINC000816651839 1042075654 /nfs/dbraw/zinc/07/56/54/1042075654.db2.gz RFFFYGRSZOWEFR-UHFFFAOYSA-N 0 0 313.347 4.456 20 10 DICDRN Oc1c(F)cc(Cl)cc1CNc1ccc(C2CCC2)cn1 ZINC000816661238 1042076823 /nfs/dbraw/zinc/07/68/23/1042076823.db2.gz HHOXYEJEAXAGQK-UHFFFAOYSA-N 0 0 306.768 4.459 20 10 DICDRN Nc1ccc(Nc2ccc(Cl)cc2C(=O)C(F)(F)F)cc1 ZINC001159583808 1042091015 /nfs/dbraw/zinc/09/10/15/1042091015.db2.gz BDMFPDQQBNYQRJ-UHFFFAOYSA-N 0 0 314.694 4.411 20 10 DICDRN Cc1cc(C(=O)NC(C)(C)C(C)(C)C)c(C)n1-c1ccccn1 ZINC000817219860 1042099001 /nfs/dbraw/zinc/09/90/01/1042099001.db2.gz NVVNYMVAWZJWQM-UHFFFAOYSA-N 0 0 313.445 4.044 20 10 DICDRN CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])CCO1 ZINC000817586197 1042118805 /nfs/dbraw/zinc/11/88/05/1042118805.db2.gz LVWSEVWQPUWZQG-GRYCIOLGSA-N 0 0 317.351 4.019 20 10 DICDRN Cc1cc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])cc(C)n1 ZINC000817589833 1042120047 /nfs/dbraw/zinc/12/00/47/1042120047.db2.gz PYCZMMDQUYFCIH-LBPRGKRZSA-N 0 0 324.346 4.274 20 10 DICDRN O=C1/C(=C\c2cccc(C3CC3)c2)SC(=S)N1C1CCC1 ZINC000817707476 1042122207 /nfs/dbraw/zinc/12/22/07/1042122207.db2.gz JYQAHEGVQPHUKV-XNTDXEJSSA-N 0 0 315.463 4.318 20 10 DICDRN O=C1NC(=S)S/C1=C/c1c(Cl)ccc(Cl)c1Cl ZINC000817909509 1042129684 /nfs/dbraw/zinc/12/96/84/1042129684.db2.gz SXJPWMPWHXHLAZ-XVNBXDOJSA-N 0 0 324.641 4.136 20 10 DICDRN C[C@H](Nc1ccc2c(c1)CCN2)c1cc2c(cc1O)CCCC2 ZINC000817949815 1042130533 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CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCC1(C)C ZINC000819978589 1042200089 /nfs/dbraw/zinc/20/00/89/1042200089.db2.gz DMEXGUNAYSUUPL-SFHVURJKSA-N 0 0 314.473 4.072 20 10 DICDRN CCN(C[C@@H]1CCCC12CCOCC2)c1ccc(OC)cc1 ZINC001167835343 1042247314 /nfs/dbraw/zinc/24/73/14/1042247314.db2.gz OLWFLIDVQSIQIB-INIZCTEOSA-N 0 0 303.446 4.118 20 10 DICDRN C[C@@H](Nc1ccc(Br)cc1)c1cc(F)ccc1O ZINC000094616708 1042265010 /nfs/dbraw/zinc/26/50/10/1042265010.db2.gz CZQOMYVMJXHDLK-SECBINFHSA-N 0 0 310.166 4.467 20 10 DICDRN CC(C)c1ccccc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000821841459 1042266535 /nfs/dbraw/zinc/26/65/35/1042266535.db2.gz BYPTZRVSQFQXBW-UHFFFAOYSA-N 0 0 322.452 4.340 20 10 DICDRN O=C1/C(=C/c2sccc2Cl)SC(=S)N1C1CCC1 ZINC000292284500 1042275107 /nfs/dbraw/zinc/27/51/07/1042275107.db2.gz IPSRJKOOWULONJ-POHAHGRESA-N 0 0 315.872 4.155 20 10 DICDRN CCN(CC)c1ccc(CNc2ccc3c(c2)CCC(=O)N3)cc1 ZINC000122568925 1042322297 /nfs/dbraw/zinc/32/22/97/1042322297.db2.gz RJMSIWVQQGARQF-UHFFFAOYSA-N 0 0 323.440 4.030 20 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20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H]2C2CCC2)cc1 ZINC001143554086 1042471975 /nfs/dbraw/zinc/47/19/75/1042471975.db2.gz WDRCNLMDUJGUEF-HXUWFJFHSA-N 0 0 322.452 4.499 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc(N(CC)CC)cc1)c1nccs1 ZINC000078004208 1042489318 /nfs/dbraw/zinc/48/93/18/1042489318.db2.gz LTAFWFNSMDHHFF-INIZCTEOSA-N 0 0 303.475 4.230 20 10 DICDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H](C)C2CCCCC2)c1 ZINC000728978779 1042500734 /nfs/dbraw/zinc/50/07/34/1042500734.db2.gz NIANHRGOCIKTSD-ZIAGYGMSSA-N 0 0 319.445 4.185 20 10 DICDRN COc1ccc(O)c([C@@H](C)Nc2ccnc(-c3ccccc3)n2)c1 ZINC000729182086 1042512412 /nfs/dbraw/zinc/51/24/12/1042512412.db2.gz MGCDOZCBGLJMKQ-CYBMUJFWSA-N 0 0 321.380 4.031 20 10 DICDRN CN(C(=O)/C=C/c1cncc(F)c1)c1ccc2ccccc2c1 ZINC000729311813 1042519688 /nfs/dbraw/zinc/51/96/88/1042519688.db2.gz ZAXVGRHKUFHRAK-RMKNXTFCSA-N 0 0 306.340 4.050 20 10 DICDRN CN(C)c1ccc(CNc2ccccc2OCC(F)(F)F)cc1 ZINC000237094937 1042523175 /nfs/dbraw/zinc/52/31/75/1042523175.db2.gz SSHNMENKZDJBAN-UHFFFAOYSA-N 0 0 324.346 4.306 20 10 DICDRN Cc1cc(CC(=O)NC23CCC(CC2)C3)c(C)n1-c1ccccc1 ZINC001268999877 1042608102 /nfs/dbraw/zinc/60/81/02/1042608102.db2.gz HPUBKRACKGHFGM-UHFFFAOYSA-N 0 0 322.452 4.086 20 10 DICDRN CC1=CC[C@@](C)(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC001269588981 1042724584 /nfs/dbraw/zinc/72/45/84/1042724584.db2.gz VVLLWXHDHGMREU-HNAYVOBHSA-N 0 0 300.446 4.066 20 10 DICDRN COc1ccc(N(CCCCCn2cccn2)CC(C)C)cc1 ZINC000729474688 1042986424 /nfs/dbraw/zinc/98/64/24/1042986424.db2.gz JHHNTXQTFJBFGC-UHFFFAOYSA-N 0 0 315.461 4.225 20 10 DICDRN CC1=C(C)C[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000843765663 1043022250 /nfs/dbraw/zinc/02/22/50/1043022250.db2.gz GIJGFRIGTWHDDR-SFHVURJKSA-N 0 0 312.457 4.040 20 10 DICDRN Cc1oc(C(C)C)cc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000794853471 1043122076 /nfs/dbraw/zinc/12/20/76/1043122076.db2.gz MWPXIHXCMKSKOR-UHFFFAOYSA-N 0 0 314.429 4.050 20 10 DICDRN O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(C(F)F)cc1 ZINC000794874039 1043144160 /nfs/dbraw/zinc/14/41/60/1043144160.db2.gz WLMIGRQKHYFKRG-JLHYYAGUSA-N 0 0 322.380 4.080 20 10 DICDRN C[C@H](Nc1cccc(OC[C@H]2CCCO2)c1)c1ccccc1O ZINC000183660238 1043169047 /nfs/dbraw/zinc/16/90/47/1043169047.db2.gz BBZILPSJJQHPQS-WMLDXEAASA-N 0 0 313.397 4.123 20 10 DICDRN CCN1C(=O)CCc2cc(N[C@@H](C)c3ccc(C)cc3O)ccc21 ZINC000183915149 1043174962 /nfs/dbraw/zinc/17/49/62/1043174962.db2.gz GYTOXARKZDCJNV-AWEZNQCLSA-N 0 0 324.424 4.173 20 10 DICDRN CCOC(=O)C(=Cc1cc(C)c(C)nc1N[C@@H](C)CC)N=[N+]=[N-] ZINC001168000194 1043176514 /nfs/dbraw/zinc/17/65/14/1043176514.db2.gz RPGPGZIAHZYAAJ-HOXUKUGESA-N 0 0 317.393 4.123 20 10 DICDRN Cc1[nH]c2ccccc2c1C1=CCN(c2nc(C)cnc2C)CC1 ZINC000357452160 1043196022 /nfs/dbraw/zinc/19/60/22/1043196022.db2.gz HUMWTLKJENLNEZ-UHFFFAOYSA-N 0 0 318.424 4.177 20 10 DICDRN C[C@@H]([NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000185225117 1043197639 /nfs/dbraw/zinc/19/76/39/1043197639.db2.gz PSRYECOBAOYFOI-VMDGZTHMSA-N 0 0 315.388 4.102 20 10 DICDRN C[C@@H]([NH2+]CCCC(C)(C)CO)c1ccc(Cl)c(Cl)c1[O-] ZINC000185537718 1043202985 /nfs/dbraw/zinc/20/29/85/1043202985.db2.gz XVHKKLOVQWSUPD-SNVBAGLBSA-N 0 0 320.260 4.148 20 10 DICDRN C[C@H]([NH2+]CCCC(C)(C)CO)c1ccc(Cl)c(Cl)c1[O-] ZINC000185537695 1043203437 /nfs/dbraw/zinc/20/34/37/1043203437.db2.gz XVHKKLOVQWSUPD-JTQLQIEISA-N 0 0 320.260 4.148 20 10 DICDRN Cc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])o1 ZINC000866477567 1043206443 /nfs/dbraw/zinc/20/64/43/1043206443.db2.gz BLNFOVGGZKXWAQ-VIFPVBQESA-N 0 0 300.185 4.451 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185783510 1043207492 /nfs/dbraw/zinc/20/74/92/1043207492.db2.gz KWPNRUWDCLFQLJ-VHSXEESVSA-N 0 0 318.244 4.165 20 10 DICDRN CC[C@@H](Nc1ccc(OC)c(COC)c1)c1ccccc1O ZINC000866498947 1043210507 /nfs/dbraw/zinc/21/05/07/1043210507.db2.gz GXWYXKIXMUFZPN-MRXNPFEDSA-N 0 0 301.386 4.110 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1cccc(Cl)c1[O-] ZINC000866539170 1043218821 /nfs/dbraw/zinc/21/88/21/1043218821.db2.gz HVGGIJDSDSABAJ-JLJPHGGASA-N 0 0 323.864 4.149 20 10 DICDRN Cc1ccc([C@@H](C)Nc2ccc(O[C@@H]3CCOC3)cc2)c(O)c1 ZINC000186321093 1043220476 /nfs/dbraw/zinc/22/04/76/1043220476.db2.gz TUYPSYMCJDHXFG-RHSMWYFYSA-N 0 0 313.397 4.041 20 10 DICDRN COc1cc(F)c(N[C@@H](C)c2ccc(C)cc2O)cc1OC ZINC000186362804 1043223313 /nfs/dbraw/zinc/22/33/13/1043223313.db2.gz QSTLSXJNTXOLFR-NSHDSACASA-N 0 0 305.349 4.030 20 10 DICDRN C[C@H]([NH2+][C@H]1CCCOc2c(F)cccc21)c1ccc(F)cc1[O-] ZINC000186506626 1043225011 /nfs/dbraw/zinc/22/50/11/1043225011.db2.gz AJMBCKPXJPZLSU-ZBEGNZNMSA-N 0 0 319.351 4.235 20 10 DICDRN C[C@H](Nc1cccc2c1OCCCO2)c1cc(F)cc(F)c1O ZINC000866618515 1043236443 /nfs/dbraw/zinc/23/64/43/1043236443.db2.gz DGTAUYOKKBFOHV-JTQLQIEISA-N 0 0 321.323 4.005 20 10 DICDRN COc1ccc(N(C)Cc2ncc(-c3ccccc3)o2)cc1F ZINC000121780191 1043260446 /nfs/dbraw/zinc/26/04/46/1043260446.db2.gz FRAKFPDLYVKQII-UHFFFAOYSA-N 0 0 312.344 4.126 20 10 DICDRN COc1ccc(N(C)Cc2nc3ccccc3o2)cc1Cl ZINC000121903710 1043265599 /nfs/dbraw/zinc/26/55/99/1043265599.db2.gz ZGEHQXZADQPZOH-UHFFFAOYSA-N 0 0 302.761 4.126 20 10 DICDRN C[C@H]([NH2+][C@@H](C)C1CCOCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192963068 1043277058 /nfs/dbraw/zinc/27/70/58/1043277058.db2.gz XSSMHZAJXWNVAC-UWVGGRQHSA-N 0 0 318.244 4.165 20 10 DICDRN C[C@@H]([NH2+][C@H](C)C1CCOCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192963108 1043277429 /nfs/dbraw/zinc/27/74/29/1043277429.db2.gz XSSMHZAJXWNVAC-NXEZZACHSA-N 0 0 318.244 4.165 20 10 DICDRN Cc1csc2c1ncnc2N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000795141374 1043355410 /nfs/dbraw/zinc/35/54/10/1043355410.db2.gz TXJOOWOGGIAUCU-LBPRGKRZSA-N 0 0 312.442 4.239 20 10 DICDRN CC(C)c1ccc(/C=C\CC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871203655 1043367314 /nfs/dbraw/zinc/36/73/14/1043367314.db2.gz PJGPXEBAEPLILL-HYXAFXHYSA-N 0 0 321.420 4.461 20 10 DICDRN CC(C)(CC(=O)N1Cc2cccc(O)c2C1)C1CCCCC1 ZINC000871205815 1043369181 /nfs/dbraw/zinc/36/91/81/1043369181.db2.gz YWOXNKFRTMBBFS-UHFFFAOYSA-N 0 0 301.430 4.231 20 10 DICDRN CCCOc1ccc(C[NH2+][C@H](CCC(C)(C)C)C(=O)[O-])cc1C ZINC000871878942 1043412666 /nfs/dbraw/zinc/41/26/66/1043412666.db2.gz WQWAZPRFBDNKGR-MRXNPFEDSA-N 0 0 321.461 4.153 20 10 DICDRN CC[C@@H]([NH2+]Cc1cc(N)cc(F)c1)c1cccc(Cl)c1[O-] ZINC000873288275 1043530573 /nfs/dbraw/zinc/53/05/73/1043530573.db2.gz AFNSHMPDTBZDKR-OAHLLOKOSA-N 0 0 308.784 4.008 20 10 DICDRN Cc1cc(C(=O)N(C)C2CCCC2)c(C)n1-c1ccc(F)cc1 ZINC000873345989 1043533866 /nfs/dbraw/zinc/53/38/66/1043533866.db2.gz PTXOOSYXARYMLC-UHFFFAOYSA-N 0 0 314.404 4.248 20 10 DICDRN Oc1c(Cl)cccc1CNc1cccc(Br)c1 ZINC000124615216 1043559169 /nfs/dbraw/zinc/55/91/69/1043559169.db2.gz DAEOQBQZQODPQK-UHFFFAOYSA-N 0 0 312.594 4.420 20 10 DICDRN C[C@@H]1CCCC[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001299788531 1043568669 /nfs/dbraw/zinc/56/86/69/1043568669.db2.gz SSUYTJNUMFXTBQ-VQIMIIECSA-N 0 0 314.473 4.119 20 10 DICDRN CC(C)(C)[C@H](NC(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000875089346 1043613145 /nfs/dbraw/zinc/61/31/45/1043613145.db2.gz XSCKSFVQJUUOEH-GOSISDBHSA-N 0 0 324.424 4.205 20 10 DICDRN C[C@@H]([NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1ccc(F)cc1[O-] ZINC000926974126 1043666060 /nfs/dbraw/zinc/66/60/60/1043666060.db2.gz PUSCOEFNYRCEPF-RGYTYGDFSA-N 0 0 321.342 4.231 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCSC2(CCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000927037512 1043671641 /nfs/dbraw/zinc/67/16/41/1043671641.db2.gz NKPOGLWMLLMMPJ-ZYHUDNBSSA-N 0 0 313.413 4.139 20 10 DICDRN CCN(CC)c1ccc(CN(C)Cc2cccnc2Cl)cc1 ZINC000729542903 1043703812 /nfs/dbraw/zinc/70/38/12/1043703812.db2.gz SDMLRIVAQVLEJF-UHFFFAOYSA-N 0 0 317.864 4.213 20 10 DICDRN COc1cc(OC)c(N[C@@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000777701331 1043768987 /nfs/dbraw/zinc/76/89/87/1043768987.db2.gz DLTOLTSKCNIMHV-LBPRGKRZSA-N 0 0 318.392 4.082 20 10 DICDRN C[N@H+](Cc1ccc(F)c(F)c1[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000877536580 1043773329 /nfs/dbraw/zinc/77/33/29/1043773329.db2.gz WCHLYBAXURSDRD-PHIMTYICSA-N 0 0 323.305 4.223 20 10 DICDRN CC(=O)N(c1ccc(NCc2ccc(C)cc2O)cc1)[C@@H]1C[C@H]1C ZINC000877554492 1043774190 /nfs/dbraw/zinc/77/41/90/1043774190.db2.gz JJPZZTWOBYDFDQ-AUUYWEPGSA-N 0 0 324.424 4.074 20 10 DICDRN [O-]c1c(F)c(F)ccc1C[NH2+]C1(c2ccccc2Cl)CC1 ZINC000877604488 1043778469 /nfs/dbraw/zinc/77/84/69/1043778469.db2.gz MFYOXYSXLXYFDV-UHFFFAOYSA-N 0 0 309.743 4.103 20 10 DICDRN C[C@H](Nc1ccc(-n2cccn2)c(Cl)c1)c1ccccc1O ZINC000783530658 1043806367 /nfs/dbraw/zinc/80/63/67/1043806367.db2.gz ANDYWSKAIVRJDF-LBPRGKRZSA-N 0 0 313.788 4.404 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)/C=C/C=C(Cl)Cl ZINC000896060187 1043816959 /nfs/dbraw/zinc/81/69/59/1043816959.db2.gz YSXGEBHHYBWNAC-WEVVVXLNSA-N 0 0 314.212 4.006 20 10 DICDRN O=C(C[C@H]1C=CCCC1)NCc1ccc(N2CCCCC2)cc1 ZINC000777785143 1043820211 /nfs/dbraw/zinc/82/02/11/1043820211.db2.gz UFWCNOBDZHJMSF-KRWDZBQOSA-N 0 0 312.457 4.040 20 10 DICDRN CSCc1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000289678389 1043861545 /nfs/dbraw/zinc/86/15/45/1043861545.db2.gz NVWGDSAMUOGYIW-UHFFFAOYSA-N 0 0 307.846 4.198 20 10 DICDRN CC(C)Oc1ccccc1NC(=O)N[C@H](C)c1ccccc1O ZINC000878252873 1043862793 /nfs/dbraw/zinc/86/27/93/1043862793.db2.gz XMKAJFYSXQRLCT-CYBMUJFWSA-N 0 0 314.385 4.062 20 10 DICDRN COC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1cccc(Cl)c1 ZINC000290256179 1043933038 /nfs/dbraw/zinc/93/30/38/1043933038.db2.gz KFEGKHRKQAMRKE-MEDUHNTESA-N 0 0 323.795 4.223 20 10 DICDRN O=C(Nc1ccc2c(c1)CCCCC2)N1Cc2cccc(O)c2C1 ZINC000931825812 1044077097 /nfs/dbraw/zinc/07/70/97/1044077097.db2.gz HSDZWWUZLSYJNB-UHFFFAOYSA-N 0 0 322.408 4.209 20 10 DICDRN COc1cc(C)c(NCc2cc(Cl)c(C)cc2O)cc1F ZINC001308694376 1044093169 /nfs/dbraw/zinc/09/31/69/1044093169.db2.gz BTBZGBWUMSOYTH-UHFFFAOYSA-N 0 0 309.768 4.422 20 10 DICDRN CCNC(=O)Nc1ccc(/C=C/c2ccc(N(C)C)cc2)cc1 ZINC001202550144 1044143761 /nfs/dbraw/zinc/14/37/61/1044143761.db2.gz JANQAOLVHPDKDY-AATRIKPKSA-N 0 0 309.413 4.064 20 10 DICDRN CC[C@@H](CC(=O)N(C)Cc1ccccc1O)c1ccc(C)cc1 ZINC000130521825 1044205067 /nfs/dbraw/zinc/20/50/67/1044205067.db2.gz VLIYRIMJPQYYAR-INIZCTEOSA-N 0 0 311.425 4.243 20 10 DICDRN CC[C@H](CC(=O)N(C)Cc1ccccc1O)c1ccc(C)cc1 ZINC000130522041 1044205338 /nfs/dbraw/zinc/20/53/38/1044205338.db2.gz VLIYRIMJPQYYAR-MRXNPFEDSA-N 0 0 311.425 4.243 20 10 DICDRN Oc1c(F)cc(F)cc1CNc1ccc2c(c1)[C@@H](O)CCCC2 ZINC000883167127 1044227116 /nfs/dbraw/zinc/22/71/16/1044227116.db2.gz QKODMDCOXUHLBQ-KRWDZBQOSA-N 0 0 319.351 4.042 20 10 DICDRN COc1cccc(CNc2cccc(C)c2Br)c1O ZINC000131194869 1044231840 /nfs/dbraw/zinc/23/18/40/1044231840.db2.gz CGUIZWVEPGDOPD-UHFFFAOYSA-N 0 0 322.202 4.084 20 10 DICDRN COc1ccc(N(C)Cc2cccc(Cl)c2C)cc1OC ZINC001308839772 1044299936 /nfs/dbraw/zinc/29/99/36/1044299936.db2.gz GNEZCOVUIINTEE-UHFFFAOYSA-N 0 0 305.805 4.302 20 10 DICDRN CCCc1nc(C)c(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)o1 ZINC000293655282 1044311063 /nfs/dbraw/zinc/31/10/63/1044311063.db2.gz LNDFIDDRFJJKJA-JTQLQIEISA-N 0 0 308.809 4.145 20 10 DICDRN Cc1ccc(O)c([C@@H](C)Nc2cccc(NC(=O)C(C)C)c2)c1 ZINC000192802491 1044317663 /nfs/dbraw/zinc/31/76/63/1044317663.db2.gz GMRIOTYUXXZRDR-CQSZACIVSA-N 0 0 312.413 4.468 20 10 DICDRN CC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1nc(C)cs1 ZINC000293724240 1044320400 /nfs/dbraw/zinc/32/04/00/1044320400.db2.gz VXBAGULWPHFENT-LBPRGKRZSA-N 0 0 314.813 4.191 20 10 DICDRN Cc1sc2nc([C@@H](C)Sc3nccs3)nc(N)c2c1C ZINC000103260377 1044350339 /nfs/dbraw/zinc/35/03/39/1044350339.db2.gz JHEVCWNUJKKJHU-MRVPVSSYSA-N 0 0 322.484 4.200 20 10 DICDRN COCCCC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000293928164 1044355409 /nfs/dbraw/zinc/35/54/09/1044355409.db2.gz XRIYXRODMVCUDL-LJQANCHMSA-N 0 0 313.441 4.082 20 10 DICDRN COCC[C@H](C)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000840836478 1044357103 /nfs/dbraw/zinc/35/71/03/1044357103.db2.gz YKNXOBYCIFZAML-VHSXEESVSA-N 0 0 306.233 4.022 20 10 DICDRN Oc1ccc(Cl)c(F)c1CNc1ccc(C2CCC2)cn1 ZINC001202612005 1044370339 /nfs/dbraw/zinc/37/03/39/1044370339.db2.gz PQERQRYXSQKKGC-UHFFFAOYSA-N 0 0 306.768 4.459 20 10 DICDRN C[C@H](NCc1nc(C(C)(C)C)cs1)c1ccc(N(C)C)cc1 ZINC000133496779 1044402064 /nfs/dbraw/zinc/40/20/64/1044402064.db2.gz QEDLPFTXKXHXIX-ZDUSSCGKSA-N 0 0 317.502 4.357 20 10 DICDRN C[C@@H]1CCCN(c2ccc(CNC(=O)C(C)(C)C)cc2Cl)C1 ZINC000800050218 1044407851 /nfs/dbraw/zinc/40/78/51/1044407851.db2.gz QEFFZCQEAKZLBQ-CYBMUJFWSA-N 0 0 322.880 4.239 20 10 DICDRN COc1cccc([C@H](C)[NH2+]Cc2cc(Cl)c(F)cc2[O-])c1 ZINC000294350688 1044410072 /nfs/dbraw/zinc/41/00/72/1044410072.db2.gz SPBPBSBTGPMLDB-JTQLQIEISA-N 0 0 309.768 4.044 20 10 DICDRN Oc1ccccc1CNc1ncc(C(F)(F)F)cc1Cl ZINC000133741275 1044444590 /nfs/dbraw/zinc/44/45/90/1044444590.db2.gz IITSZMJGCYIUKF-UHFFFAOYSA-N 0 0 302.683 4.072 20 10 DICDRN COC1([C@H](C)[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])CCC1 ZINC000840882904 1044458028 /nfs/dbraw/zinc/45/80/28/1044458028.db2.gz BYCJSOIAYMKGMJ-UWVGGRQHSA-N 0 0 318.244 4.307 20 10 DICDRN Cc1ccccc1-c1nnc(NCc2ccc(N(C)C)cc2C)o1 ZINC000840882892 1044459734 /nfs/dbraw/zinc/45/97/34/1044459734.db2.gz BJIJNSKXCDDTQV-UHFFFAOYSA-N 0 0 322.412 4.032 20 10 DICDRN C[C@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)c1ccc(F)cc1 ZINC001649171130 1044588677 /nfs/dbraw/zinc/58/86/77/1044588677.db2.gz JVOKFKCCTQYUTF-SNVBAGLBSA-N 0 0 311.759 4.217 20 10 DICDRN C[C@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)c1cc(F)ccc1O ZINC000296364044 1044610541 /nfs/dbraw/zinc/61/05/41/1044610541.db2.gz IXBYKKNGEMDTSH-BFQNTYOBSA-N 0 0 301.361 4.094 20 10 DICDRN C[C@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)c1ccc(F)cc1[O-] ZINC000296365574 1044612762 /nfs/dbraw/zinc/61/27/62/1044612762.db2.gz IXYZZJWNDWBWCJ-BFQNTYOBSA-N 0 0 301.361 4.094 20 10 DICDRN Cc1cc(CN[C@H](C)c2ncco2)c(C)n1-c1cccc(C)c1 ZINC000886276103 1044628679 /nfs/dbraw/zinc/62/86/79/1044628679.db2.gz WTUVXGLDVCQOCF-OAHLLOKOSA-N 0 0 309.413 4.241 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1ccc(OC)cc1 ZINC000886491425 1044646929 /nfs/dbraw/zinc/64/69/29/1044646929.db2.gz DFHLZWBNLCOAFZ-BLLLJJGKSA-N 0 0 303.377 4.342 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCCOc2ccccc21)c1c([O-])cccc1F ZINC000886520372 1044654118 /nfs/dbraw/zinc/65/41/18/1044654118.db2.gz CNNGYJHKYVVFKG-SWLSCSKDSA-N 0 0 301.361 4.096 20 10 DICDRN CC(C)COC[C@H](N[C@@H](C)c1c(O)cccc1F)c1ccco1 ZINC000886521182 1044654445 /nfs/dbraw/zinc/65/44/45/1044654445.db2.gz WEMMBALBRIUDIR-ZFWWWQNUSA-N 0 0 321.392 4.189 20 10 DICDRN COc1cc(Cl)ccc1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886524639 1044655019 /nfs/dbraw/zinc/65/50/19/1044655019.db2.gz NYYUGPRZWGVWGE-JTQLQIEISA-N 0 0 309.768 4.044 20 10 DICDRN CSc1ccc(F)cc1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886535123 1044656120 /nfs/dbraw/zinc/65/61/20/1044656120.db2.gz VDLXIWGFHRVUKB-SNVBAGLBSA-N 0 0 309.381 4.243 20 10 DICDRN COc1ccc(C[NH2+][C@H](C)c2c([O-])cccc2F)cc1Cl ZINC000886551813 1044658550 /nfs/dbraw/zinc/65/85/50/1044658550.db2.gz OYFVQIHOTIPPEY-SNVBAGLBSA-N 0 0 309.768 4.044 20 10 DICDRN C[C@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)c1c([O-])cccc1F ZINC000886551535 1044658831 /nfs/dbraw/zinc/65/88/31/1044658831.db2.gz JSPTWNLVHFFQDH-KBPBESRZSA-N 0 0 307.409 4.064 20 10 DICDRN C[C@H]([NH2+]CCC1CC(OC(C)(C)C)C1)c1c([O-])cccc1F ZINC000886600973 1044665490 /nfs/dbraw/zinc/66/54/90/1044665490.db2.gz GOEZPXQKYWEYRS-HSBZDZAISA-N 0 0 309.425 4.166 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1)c1c([O-])cccc1F ZINC000886592656 1044666061 /nfs/dbraw/zinc/66/60/61/1044666061.db2.gz ZLGROGKTSJJCMZ-JCKWVBRZSA-N 0 0 315.388 4.102 20 10 DICDRN COC[C@H]([NH2+][C@H](C)c1c([O-])cccc1F)c1ccc(Cl)cc1 ZINC000886603728 1044667725 /nfs/dbraw/zinc/66/77/25/1044667725.db2.gz UWBPTCSEMZNHBS-ABAIWWIYSA-N 0 0 323.795 4.223 20 10 DICDRN C[C@H](Nc1ccc([C@@H]2CCOC2)cc1)c1c(O)cccc1F ZINC000886615733 1044668455 /nfs/dbraw/zinc/66/84/55/1044668455.db2.gz MJQLKFGOHGTQKT-GXTWGEPZSA-N 0 0 301.361 4.208 20 10 DICDRN C[C@@H]([NH2+]Cc1ccc(C(C)(F)F)cc1)c1c([O-])cccc1F ZINC000886613919 1044668840 /nfs/dbraw/zinc/66/88/40/1044668840.db2.gz IDEWKVMUIZFTMH-LLVKDONJSA-N 0 0 309.331 4.494 20 10 DICDRN Cc1cc(F)ncc1N(Cc1ccccc1)c1ccc(N)cc1 ZINC001212816885 1044836661 /nfs/dbraw/zinc/83/66/61/1044836661.db2.gz RBEWIYXIMOFNLH-UHFFFAOYSA-N 0 0 307.372 4.450 20 10 DICDRN CCN(CC)c1ccc(CN[C@H](C)c2csc(C)n2)cc1 ZINC000264543735 1044888137 /nfs/dbraw/zinc/88/81/37/1044888137.db2.gz SAWIVEQLGXNUEJ-CYBMUJFWSA-N 0 0 303.475 4.149 20 10 DICDRN CCN(Cc1cccc(F)c1O)Cc1c(F)cccc1Cl ZINC001138129632 1044892740 /nfs/dbraw/zinc/89/27/40/1044892740.db2.gz OHYDDPDINJDAAD-UHFFFAOYSA-N 0 0 311.759 4.346 20 10 DICDRN Cc1ccc(C)c(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000133248461 1044932707 /nfs/dbraw/zinc/93/27/07/1044932707.db2.gz KRYKQOGGGHHJBM-UHFFFAOYSA-N 0 0 321.424 4.001 20 10 DICDRN CN(C)c1ccc(NCc2cccc(Cl)c2O)cc1Cl ZINC000158061955 1044969419 /nfs/dbraw/zinc/96/94/19/1044969419.db2.gz IYBXGDSLIKQVFM-UHFFFAOYSA-N 0 0 311.212 4.377 20 10 DICDRN CN(Cc1cc(F)ccc1O)[C@H](c1ccccc1)C(F)(F)F ZINC000779010869 1045126934 /nfs/dbraw/zinc/12/69/34/1045126934.db2.gz YABNCBQFPFITPI-OAHLLOKOSA-N 0 0 313.294 4.267 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1C=CCCC1 ZINC000777499611 1045157611 /nfs/dbraw/zinc/15/76/11/1045157611.db2.gz UVBBVCKBASDEEH-KRWDZBQOSA-N 0 0 314.473 4.236 20 10 DICDRN Cc1cc(O)c(CNc2nc3cc(Cl)ccc3o2)cc1C ZINC000777505168 1045158957 /nfs/dbraw/zinc/15/89/57/1045158957.db2.gz LDOVRPAHEQGNDF-UHFFFAOYSA-N 0 0 302.761 4.416 20 10 DICDRN CCN(CC)c1ccc(CNc2nnc(CCC(C)C)o2)cc1 ZINC000777515831 1045165285 /nfs/dbraw/zinc/16/52/85/1045165285.db2.gz PTAVRNIWMACRSB-UHFFFAOYSA-N 0 0 316.449 4.117 20 10 DICDRN C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccc(Cl)c(Cl)c1[O-] ZINC000779077750 1045252169 /nfs/dbraw/zinc/25/21/69/1045252169.db2.gz BIQURIVETJZHMJ-UWVGGRQHSA-N 0 0 318.244 4.307 20 10 DICDRN Oc1ccc(F)cc1C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000779094697 1045268889 /nfs/dbraw/zinc/26/88/89/1045268889.db2.gz RMTYKIRZMVRSPK-MRXNPFEDSA-N 0 0 313.372 4.067 20 10 DICDRN C[C@H]([NH2+]CC[C@H]1CCCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000527929108 1045285968 /nfs/dbraw/zinc/28/59/68/1045285968.db2.gz OCYBBIBNAFIPKK-WDEREUQCSA-N 0 0 318.244 4.166 20 10 DICDRN COc1cc(NCc2cc(F)ccc2O)cc(OC)c1C(C)C ZINC000779167516 1045349315 /nfs/dbraw/zinc/34/93/15/1045349315.db2.gz GWSKCWKZKVPYAR-UHFFFAOYSA-N 0 0 319.376 4.284 20 10 DICDRN Cc1cncc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000189762951 1045367056 /nfs/dbraw/zinc/36/70/56/1045367056.db2.gz IFXHRVQGWFTXLZ-UHFFFAOYSA-N 0 0 309.457 4.012 20 10 DICDRN CC(=O)c1cc(F)cc(C[NH2+][C@H](c2cccs2)C2CC2)c1O ZINC000779196763 1045367900 /nfs/dbraw/zinc/36/79/00/1045367900.db2.gz WARPDWTWLBLTKC-INIZCTEOSA-N 0 0 319.401 4.036 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001299182496 1045462845 /nfs/dbraw/zinc/46/28/45/1045462845.db2.gz LFFLGKVGFQXHSS-ZIFCJYIRSA-N 0 0 322.452 4.321 20 10 DICDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C1CC(F)(F)C1 ZINC000529569968 1045497510 /nfs/dbraw/zinc/49/75/10/1045497510.db2.gz LQSTYWFXWRRTBO-SSDOTTSWSA-N 0 0 310.171 4.222 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)Cc1ccc(Cl)cc1 ZINC000750862165 1045564478 /nfs/dbraw/zinc/56/44/78/1045564478.db2.gz VSMNNHDJQUXOAK-UHFFFAOYSA-N 0 0 317.816 4.027 20 10 DICDRN C[C@H]([NH2+]C1CCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000381467250 1045565640 /nfs/dbraw/zinc/56/56/40/1045565640.db2.gz MYSTUZPSWOCLMJ-ZETCQYMHSA-N 0 0 304.615 4.011 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(CC)cc1 ZINC001626156223 1045576732 /nfs/dbraw/zinc/57/67/32/1045576732.db2.gz PERPIFDKJZRSEH-UHFFFAOYSA-N 0 0 311.425 4.397 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)c2cccs2)cc1 ZINC000078080181 1045644830 /nfs/dbraw/zinc/64/48/30/1045644830.db2.gz SVYGPXVACTTYIK-AWEZNQCLSA-N 0 0 316.470 4.014 20 10 DICDRN COc1ccc(N(C)Cc2cc(C)nc3ccccc23)c(OC)c1 ZINC000752116257 1045659742 /nfs/dbraw/zinc/65/97/42/1045659742.db2.gz WSPWFEPDCIMARK-UHFFFAOYSA-N 0 0 322.408 4.197 20 10 DICDRN Cc1ccc(Cc2ccccn2)cc1NCc1ccccc1O ZINC000800901539 1045663884 /nfs/dbraw/zinc/66/38/84/1045663884.db2.gz VODJEICSARVAIP-UHFFFAOYSA-N 0 0 304.393 4.299 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C)CC(C)C)cc1 ZINC000752213903 1045664619 /nfs/dbraw/zinc/66/46/19/1045664619.db2.gz RLDXDYNAHALGCR-MRXNPFEDSA-N 0 0 319.493 4.109 20 10 DICDRN COc1cc2c(cc1F)CC[C@H]2[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000800993325 1045680018 /nfs/dbraw/zinc/68/00/18/1045680018.db2.gz NJRYDEVECAWBIK-MGPLVRAMSA-N 0 0 319.351 4.017 20 10 DICDRN CCSc1ccccc1C(=O)N1CCS[C@H]2CCCC[C@@H]21 ZINC000752486011 1045682621 /nfs/dbraw/zinc/68/26/21/1045682621.db2.gz BSNBUHGPAHROIS-HOCLYGCPSA-N 0 0 321.511 4.299 20 10 DICDRN CCc1ccc(CC)c(NC(=O)N(C)Cc2ccccc2O)c1 ZINC000752701236 1045698129 /nfs/dbraw/zinc/69/81/29/1045698129.db2.gz JOFMIBCFAOHIRR-UHFFFAOYSA-N 0 0 312.413 4.181 20 10 DICDRN CC[C@@H](C)c1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC001124480720 1045704493 /nfs/dbraw/zinc/70/44/93/1045704493.db2.gz VDUMTGURRSDBAI-OAHLLOKOSA-N 0 0 310.441 4.196 20 10 DICDRN Cc1nsc(C)c1-c1noc(-c2ccc(-n3cccc3)cc2)n1 ZINC000752876912 1045713322 /nfs/dbraw/zinc/71/33/22/1045713322.db2.gz LOTBWBLUDWESOJ-UHFFFAOYSA-N 0 0 322.393 4.268 20 10 DICDRN Oc1ccc(Cl)c(F)c1CNc1ccc2scnc2c1 ZINC000752971964 1045717000 /nfs/dbraw/zinc/71/70/00/1045717000.db2.gz GFDVNFOXQDDETL-UHFFFAOYSA-N 0 0 308.765 4.407 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)Oc2ccccc2F)cc1 ZINC001124603251 1045731758 /nfs/dbraw/zinc/73/17/58/1045731758.db2.gz HEQBAZJNKRGTHS-UHFFFAOYSA-N 0 0 309.340 4.452 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)/C=C\c1cccs1 ZINC000801548288 1045735082 /nfs/dbraw/zinc/73/50/82/1045735082.db2.gz RFQNFJVXBOCGHI-KHPPLWFESA-N 0 0 315.438 4.296 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1cccc(F)c1F ZINC000801548899 1045736771 /nfs/dbraw/zinc/73/67/71/1045736771.db2.gz WHVGCFBGTKTSRQ-UHFFFAOYSA-N 0 0 319.351 4.113 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)/C=C1/CC[C@H](C)C1 ZINC000801551007 1045737710 /nfs/dbraw/zinc/73/77/10/1045737710.db2.gz GUCZJDPLLAJILQ-WSTOHFRZSA-N 0 0 301.430 4.267 20 10 DICDRN CC(C)(C)c1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000779473017 1045753529 /nfs/dbraw/zinc/75/35/29/1045753529.db2.gz FBMWBLPRKUBDLP-WZUFQYTHSA-N 0 0 311.381 4.047 20 10 DICDRN COc1ccc(O)c(CNc2cc(F)c(OC(C)C)c(F)c2)c1 ZINC000753569897 1045762621 /nfs/dbraw/zinc/76/26/21/1045762621.db2.gz MOANTANKQLBPAA-UHFFFAOYSA-N 0 0 323.339 4.078 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)/C=C2\CC[C@@H](C)C2)cc1 ZINC000753580357 1045766295 /nfs/dbraw/zinc/76/62/95/1045766295.db2.gz UMCBBQOJSHNAPB-WDMNMGCXSA-N 0 0 314.473 4.238 20 10 DICDRN C[C@@H]1CCCC[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001124836276 1045777076 /nfs/dbraw/zinc/77/70/76/1045777076.db2.gz UCFMDUZHBUXFHP-BEFAXECRSA-N 0 0 314.473 4.070 20 10 DICDRN CC[C@H](C)[C@H](C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000780325561 1045783111 /nfs/dbraw/zinc/78/31/11/1045783111.db2.gz HKDZIDQFRHBNGY-IRXDYDNUSA-N 0 0 316.489 4.318 20 10 DICDRN CCc1ccc(N(CC)C(=O)/C=C/c2scnc2C)cc1 ZINC001124951645 1045816905 /nfs/dbraw/zinc/81/69/05/1045816905.db2.gz ZCRKGJQFUGTPLL-ZHACJKMWSA-N 0 0 300.427 4.080 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)c2csc(Cl)c2)cc1 ZINC001125167301 1045865955 /nfs/dbraw/zinc/86/59/55/1045865955.db2.gz WBPRFLUHGQURTG-UHFFFAOYSA-N 0 0 322.861 4.178 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)NCCCC(C)C ZINC000801981165 1045870223 /nfs/dbraw/zinc/87/02/23/1045870223.db2.gz JODAWFFPMQAVAO-UHFFFAOYSA-N 0 0 306.450 4.140 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)[C@H](C)CC ZINC000802025581 1045876313 /nfs/dbraw/zinc/87/63/13/1045876313.db2.gz CERTZFKQACMUNF-HUUCEWRRSA-N 0 0 306.450 4.139 20 10 DICDRN Cc1cncc(/C=C\C(=O)N2C[C@H](C)CSc3ccccc32)c1 ZINC000754372916 1045882877 /nfs/dbraw/zinc/88/28/77/1045882877.db2.gz QIFBVHXUWBMHAY-LZNQSLFOSA-N 0 0 324.449 4.178 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCC(C)(C)C1 ZINC001137597555 1045903108 /nfs/dbraw/zinc/90/31/08/1045903108.db2.gz ZLYQMQVWMXPHLI-CQSZACIVSA-N 0 0 316.470 4.464 20 10 DICDRN COc1ccc(O)c(CNc2cccc(Oc3ccccn3)c2)c1 ZINC000779595463 1045914922 /nfs/dbraw/zinc/91/49/22/1045914922.db2.gz ABIDTRVHAIQAKC-UHFFFAOYSA-N 0 0 322.364 4.200 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)CC(C)C ZINC000802259827 1045931145 /nfs/dbraw/zinc/93/11/45/1045931145.db2.gz ZXYGJKIDTACSMI-OAHLLOKOSA-N 0 0 306.450 4.139 20 10 DICDRN C[C@H](CCC(C)(C)C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000755051659 1045948482 /nfs/dbraw/zinc/94/84/82/1045948482.db2.gz ZZKJPKRSGFGFML-MRXNPFEDSA-N 0 0 316.489 4.365 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)c1cccc(C)c1Cl ZINC000755179658 1045960476 /nfs/dbraw/zinc/96/04/76/1045960476.db2.gz VERAYNLLYVCJTF-UHFFFAOYSA-N 0 0 317.816 4.406 20 10 DICDRN Oc1cccc(F)c1CN1CC[C@@H](c2ccccc2)C(F)(F)C1 ZINC001137841889 1045979633 /nfs/dbraw/zinc/97/96/33/1045979633.db2.gz YWCIYZWTYSENSP-HNNXBMFYSA-N 0 0 321.342 4.156 20 10 DICDRN [O-]c1cccc(F)c1C[N@@H+]1CCCC[C@H]1c1ccccc1F ZINC001137837834 1045979716 /nfs/dbraw/zinc/97/97/16/1045979716.db2.gz WJDVONZACHISQD-KRWDZBQOSA-N 0 0 303.352 4.398 20 10 DICDRN Oc1cccc(F)c1CN1CCC[C@H]1c1c(F)cccc1F ZINC001137840061 1045980325 /nfs/dbraw/zinc/98/03/25/1045980325.db2.gz QMNFPIQTJOEKAU-HNNXBMFYSA-N 0 0 307.315 4.147 20 10 DICDRN COc1cccc([C@H]2CCCC[N@@H+]2Cc2c([O-])cccc2F)c1 ZINC001137837305 1045981462 /nfs/dbraw/zinc/98/14/62/1045981462.db2.gz ANFIUOMGKWDDMV-GOSISDBHSA-N 0 0 315.388 4.267 20 10 DICDRN Oc1cccc(F)c1CN1CCC[C@@H]1c1c(F)cccc1F ZINC001137840062 1045981745 /nfs/dbraw/zinc/98/17/45/1045981745.db2.gz QMNFPIQTJOEKAU-OAHLLOKOSA-N 0 0 307.315 4.147 20 10 DICDRN Cc1cc(C[N@@H+](C)C2CC(F)(F)C2)c(C)n1-c1ccccc1 ZINC001137854271 1045985470 /nfs/dbraw/zinc/98/54/70/1045985470.db2.gz PEISGNVBRCUSGF-UHFFFAOYSA-N 0 0 304.384 4.324 20 10 DICDRN Cc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c(C)n1-c1ccccc1 ZINC001137854219 1045985832 /nfs/dbraw/zinc/98/58/32/1045985832.db2.gz NINZKIXKMQTTJQ-RXVVDRJESA-N 0 0 324.468 4.095 20 10 DICDRN Cc1ccc(NC(=O)N[C@@H](C)c2ccccc2O)cc1Cl ZINC001202811855 1045987350 /nfs/dbraw/zinc/98/73/50/1045987350.db2.gz WOYBEDHODHKQCA-NSHDSACASA-N 0 0 304.777 4.237 20 10 DICDRN CC[C@H]1CCN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000755497938 1045992818 /nfs/dbraw/zinc/99/28/18/1045992818.db2.gz LNEJGNUSQFHHPF-AWEZNQCLSA-N 0 0 302.443 4.028 20 10 DICDRN Cc1cccc(F)c1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001137876883 1045997201 /nfs/dbraw/zinc/99/72/01/1045997201.db2.gz BSKUZERLHAZOIL-UHFFFAOYSA-N 0 0 317.341 4.012 20 10 DICDRN COc1ccc(O)c([C@@H](C)NC(=O)C2(CC(C)C)CCCC2)c1 ZINC000755784230 1046016831 /nfs/dbraw/zinc/01/68/31/1046016831.db2.gz DODOUCJVFICBPQ-CQSZACIVSA-N 0 0 319.445 4.185 20 10 DICDRN CC(C)(C)[C@H](NC(=O)C1=CC(=O)CS1)c1ccc(F)cc1 ZINC000755837282 1046022202 /nfs/dbraw/zinc/02/22/02/1046022202.db2.gz MELKZANJKCGUGD-CQSZACIVSA-N 0 0 307.390 4.110 20 10 DICDRN O=C(C1=CC(=O)CS1)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000802659616 1046030996 /nfs/dbraw/zinc/03/09/96/1046030996.db2.gz QALWEQHMRPXHDR-QDMKHBRRSA-N 0 0 313.422 4.005 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)c1oc(SC)cc1C ZINC000830140682 1046045919 /nfs/dbraw/zinc/04/59/19/1046045919.db2.gz GJBYSYFURCCNHK-UHFFFAOYSA-N 0 0 319.426 4.068 20 10 DICDRN CCCCCC(C)(C)CNC(=O)N(C)Cc1ccccc1O ZINC000756061536 1046047759 /nfs/dbraw/zinc/04/77/59/1046047759.db2.gz JYRSYICFHCVUDI-UHFFFAOYSA-N 0 0 306.450 4.140 20 10 DICDRN CCCCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756340023 1046064844 /nfs/dbraw/zinc/06/48/44/1046064844.db2.gz GCZMQFGERFESRR-VIFPVBQESA-N 0 0 304.203 4.135 20 10 DICDRN C[C@H](CCc1ccccc1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756343345 1046067694 /nfs/dbraw/zinc/06/76/94/1046067694.db2.gz XZSMXHQMJNDOEI-OLZOCXBDSA-N 0 0 305.368 4.342 20 10 DICDRN C[C@@H](OCCC[NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccccc1 ZINC000756357634 1046069233 /nfs/dbraw/zinc/06/92/33/1046069233.db2.gz GGEXULURQJCIKY-LSDHHAIUSA-N 0 0 317.404 4.350 20 10 DICDRN C[C@@H]([NH2+]CCc1cccc(Cl)c1)c1cc(F)cc(F)c1[O-] ZINC000756357813 1046069330 /nfs/dbraw/zinc/06/93/30/1046069330.db2.gz PXTVEANOFNCDPM-SNVBAGLBSA-N 0 0 311.759 4.217 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1ccc(F)cc1F ZINC000756354594 1046069511 /nfs/dbraw/zinc/06/95/11/1046069511.db2.gz FWKSJFDOTMTEIN-BDAKNGLRSA-N 0 0 313.294 4.360 20 10 DICDRN C[C@H]([NH2+]CCCO[C@@H](C)c1ccccc1)c1ccc(F)cc1[O-] ZINC000756357628 1046070126 /nfs/dbraw/zinc/07/01/26/1046070126.db2.gz GGEXULURQJCIKY-GJZGRUSLSA-N 0 0 317.404 4.350 20 10 DICDRN COc1ccc(O)c([C@H](C)Nc2ccc(Cl)c(OC)c2)c1 ZINC000193850877 1046073399 /nfs/dbraw/zinc/07/33/99/1046073399.db2.gz YJMVKLYKAVFGIQ-JTQLQIEISA-N 0 0 307.777 4.236 20 10 DICDRN CCOc1cc(C)ccc1N[C@@H](C)c1cc(OC)ccc1O ZINC000193907951 1046079720 /nfs/dbraw/zinc/07/97/20/1046079720.db2.gz RKCNEBBWJWGWBK-ZDUSSCGKSA-N 0 0 301.386 4.281 20 10 DICDRN C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756446504 1046080985 /nfs/dbraw/zinc/08/09/85/1046080985.db2.gz QVNQCSIGWNDIKJ-MNOVXSKESA-N 0 0 309.331 4.091 20 10 DICDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(C(C)C)c2)c1 ZINC000830541047 1046081910 /nfs/dbraw/zinc/08/19/10/1046081910.db2.gz RJLLUWDCONAMQW-CYBMUJFWSA-N 0 0 313.397 4.015 20 10 DICDRN Cc1ccc([C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000756459979 1046084230 /nfs/dbraw/zinc/08/42/30/1046084230.db2.gz QUNODEBMRBGSRQ-MNOVXSKESA-N 0 0 306.387 4.082 20 10 DICDRN Cc1ccc(O)c([C@@H](C)Nc2cnn(Cc3ccccc3)c2)c1 ZINC000193928106 1046085356 /nfs/dbraw/zinc/08/53/56/1046085356.db2.gz BBTFXFXJDGTSLR-OAHLLOKOSA-N 0 0 307.397 4.119 20 10 DICDRN C[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1cccc(F)c1 ZINC000756476861 1046087094 /nfs/dbraw/zinc/08/70/94/1046087094.db2.gz WGJYYCFDTMHDQB-QWRGUYRKSA-N 0 0 309.331 4.264 20 10 DICDRN C[C@H](Nc1ccc(CCO)cc1)c1ccc2ccccc2c1O ZINC000194009589 1046090509 /nfs/dbraw/zinc/09/05/09/1046090509.db2.gz LAWLZWCDPGOKGR-AWEZNQCLSA-N 0 0 307.393 4.253 20 10 DICDRN COc1ccccc1C(C)(C)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756494792 1046091512 /nfs/dbraw/zinc/09/15/12/1046091512.db2.gz HCUFXUCLTWMLFI-ZDUSSCGKSA-N 0 0 317.404 4.168 20 10 DICDRN C[C@@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)c1ccc(F)cc1[O-] ZINC000756508423 1046094035 /nfs/dbraw/zinc/09/40/35/1046094035.db2.gz JOFAXYGSEQBZFB-LLVKDONJSA-N 0 0 316.351 4.045 20 10 DICDRN C[C@@H](CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000756513137 1046094374 /nfs/dbraw/zinc/09/43/74/1046094374.db2.gz CLJINSSDKSRTRY-KBPBESRZSA-N 0 0 314.385 4.145 20 10 DICDRN Cc1ccc(OCCC[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756523792 1046094607 /nfs/dbraw/zinc/09/46/07/1046094607.db2.gz CYQVOJFVNRKGDA-CYBMUJFWSA-N 0 0 321.367 4.099 20 10 DICDRN CCN(CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])C(C)C ZINC000756527445 1046095442 /nfs/dbraw/zinc/09/54/42/1046095442.db2.gz XVRQNMBNGMTPPC-NSHDSACASA-N 0 0 319.276 4.080 20 10 DICDRN CC[C@@H](C)[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000779820295 1046095934 /nfs/dbraw/zinc/09/59/34/1046095934.db2.gz GHKJADKCCDGFOZ-CVEARBPZSA-N 0 0 304.478 4.172 20 10 DICDRN C[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1ccc(F)cc1 ZINC000756531900 1046096557 /nfs/dbraw/zinc/09/65/57/1046096557.db2.gz BACUZUXHOHQKCO-MNOVXSKESA-N 0 0 309.331 4.264 20 10 DICDRN C[C@H]([NH2+]Cc1ccc(F)c(Cl)c1)c1cc(F)cc(F)c1[O-] ZINC000756527463 1046096797 /nfs/dbraw/zinc/09/67/97/1046096797.db2.gz SKNPOXRCHVYTQB-QMMMGPOBSA-N 0 0 315.722 4.314 20 10 DICDRN CC[C@H](C)[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000779820298 1046096919 /nfs/dbraw/zinc/09/69/19/1046096919.db2.gz GHKJADKCCDGFOZ-JKSUJKDBSA-N 0 0 304.478 4.172 20 10 DICDRN CCCCN(C)CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756577050 1046101834 /nfs/dbraw/zinc/10/18/34/1046101834.db2.gz PWLXGZMTDSGYMC-NSHDSACASA-N 0 0 319.276 4.082 20 10 DICDRN [O-]c1c(F)cccc1C[N@H+](Cc1ccccc1)Cc1cccnc1 ZINC001138127439 1046102122 /nfs/dbraw/zinc/10/21/22/1046102122.db2.gz BPWMPZWBFPKTNI-UHFFFAOYSA-N 0 0 322.383 4.129 20 10 DICDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@H]1c1cc(F)ccc1F ZINC001138127787 1046102249 /nfs/dbraw/zinc/10/22/49/1046102249.db2.gz QILPDPSQQNJRRM-INIZCTEOSA-N 0 0 307.315 4.147 20 10 DICDRN C[C@@H]([NH2+][C@H]1CSc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000756588776 1046104171 /nfs/dbraw/zinc/10/41/71/1046104171.db2.gz IOQBVLKTSBSCJE-OTYXRUKQSA-N 0 0 307.365 4.168 20 10 DICDRN Cc1cccnc1[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C(C)C ZINC000756582453 1046104566 /nfs/dbraw/zinc/10/45/66/1046104566.db2.gz IUTBYIHPLLENJA-LRDDRELGSA-N 0 0 320.383 4.422 20 10 DICDRN [O-]c1c(F)cccc1C[NH+]1CCC(Cc2ccccc2F)CC1 ZINC001138128457 1046105532 /nfs/dbraw/zinc/10/55/32/1046105532.db2.gz LHCLZDVVKYWCHO-UHFFFAOYSA-N 0 0 317.379 4.125 20 10 DICDRN [O-]c1c(F)cccc1C[NH+]1CCC(n2ccc3ccccc32)CC1 ZINC001138129685 1046106058 /nfs/dbraw/zinc/10/60/58/1046106058.db2.gz QXYMIPBVGKVZLD-UHFFFAOYSA-N 0 0 324.399 4.323 20 10 DICDRN CCCOc1ccc(N[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000194764806 1046106214 /nfs/dbraw/zinc/10/62/14/1046106214.db2.gz LDPKRSKFXPMNNP-ZDUSSCGKSA-N 0 0 301.386 4.363 20 10 DICDRN COC[C@H]([NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-])C(C)C ZINC000756599124 1046106486 /nfs/dbraw/zinc/10/64/86/1046106486.db2.gz XIOBBJLMPKIHGW-SKDRFNHKSA-N 0 0 306.233 4.021 20 10 DICDRN Cc1cccc(O[C@@H](C)C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756608123 1046107796 /nfs/dbraw/zinc/10/77/96/1046107796.db2.gz IPYQMHBZUDVIJS-STQMWFEESA-N 0 0 321.367 4.097 20 10 DICDRN Cc1ccccc1O[C@@H](C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756606795 1046108501 /nfs/dbraw/zinc/10/85/01/1046108501.db2.gz DHIDCTKPANPDBD-STQMWFEESA-N 0 0 321.367 4.097 20 10 DICDRN C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccc(F)cc1F ZINC000756621379 1046111689 /nfs/dbraw/zinc/11/16/89/1046111689.db2.gz PTKPURLOJXBHMA-QWRGUYRKSA-N 0 0 309.331 4.264 20 10 DICDRN C[C@H]([NH2+]C1CCC(C)(O)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756635654 1046113621 /nfs/dbraw/zinc/11/36/21/1046113621.db2.gz SJFAGZWWSMJRNX-YLTRJXTNSA-N 0 0 318.244 4.043 20 10 DICDRN CC[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])Oc1ccccc1F ZINC000756637904 1046114096 /nfs/dbraw/zinc/11/40/96/1046114096.db2.gz KYUMFOGLWYWACL-OCCSQVGLSA-N 0 0 321.367 4.179 20 10 DICDRN CCCN(CC)CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756637657 1046114394 /nfs/dbraw/zinc/11/43/94/1046114394.db2.gz OIYVFHKYQQEUEE-LLVKDONJSA-N 0 0 319.276 4.082 20 10 DICDRN CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])C1(C)C ZINC000756646682 1046115690 /nfs/dbraw/zinc/11/56/90/1046115690.db2.gz CQSZFKGDAXLQID-GGZOMVNGSA-N 0 0 318.244 4.163 20 10 DICDRN C[C@H](C[C@H]1CCOC1)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756646112 1046116463 /nfs/dbraw/zinc/11/64/63/1046116463.db2.gz KQHPFUZRABOTRG-GMTAPVOTSA-N 0 0 318.244 4.165 20 10 DICDRN CC(C)c1csc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])n1 ZINC000756660103 1046117527 /nfs/dbraw/zinc/11/75/27/1046117527.db2.gz SGBXKHKGPXTNEE-VIFPVBQESA-N 0 0 312.385 4.101 20 10 DICDRN CSc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756649325 1046117587 /nfs/dbraw/zinc/11/75/87/1046117587.db2.gz DVERDEFBFNFNLO-LBPRGKRZSA-N 0 0 305.418 4.412 20 10 DICDRN Cc1cccc(OCCC[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756676127 1046120469 /nfs/dbraw/zinc/12/04/69/1046120469.db2.gz NUEKOMMWONKILU-CYBMUJFWSA-N 0 0 321.367 4.099 20 10 DICDRN Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])CC2 ZINC000756704298 1046121752 /nfs/dbraw/zinc/12/17/52/1046121752.db2.gz DVDUKHBALJSYJH-APPDUMDISA-N 0 0 303.352 4.317 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1cc(F)cc(F)c1[O-] ZINC000756709490 1046122420 /nfs/dbraw/zinc/12/24/20/1046122420.db2.gz XKVUXVDFMAKBIM-JDNHERCYSA-N 0 0 307.315 4.148 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1cc(F)cc(F)c1[O-] ZINC000756709491 1046122446 /nfs/dbraw/zinc/12/24/46/1046122446.db2.gz XKVUXVDFMAKBIM-XXFAHNHDSA-N 0 0 307.315 4.148 20 10 DICDRN C[C@@H]([NH2+]CC1(C)CCC1)c1cc(Br)cc(F)c1[O-] ZINC000756739933 1046126379 /nfs/dbraw/zinc/12/63/79/1046126379.db2.gz SNPSWLZTEVUXDH-SECBINFHSA-N 0 0 316.214 4.135 20 10 DICDRN CCC1(C[NH2+][C@H](C)c2cc(Br)cc(F)c2[O-])CC1 ZINC000756737741 1046126491 /nfs/dbraw/zinc/12/64/91/1046126491.db2.gz AOVQBNLJCDQXMX-SECBINFHSA-N 0 0 316.214 4.135 20 10 DICDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@H]2CCCC(C)(C)C2)c1 ZINC000756766294 1046130117 /nfs/dbraw/zinc/13/01/17/1046130117.db2.gz LTHOXFUSIPTYOO-ZIAGYGMSSA-N 0 0 319.445 4.185 20 10 DICDRN C[C@H]([NH2+]CC1(Cc2ccccc2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756763067 1046130274 /nfs/dbraw/zinc/13/02/74/1046130274.db2.gz YHRRDTLBXJLWGB-ZDUSSCGKSA-N 0 0 317.379 4.344 20 10 DICDRN CC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])c1c(C)noc1C ZINC000756776724 1046132332 /nfs/dbraw/zinc/13/23/32/1046132332.db2.gz QMNNGEBGSVKNIU-CLAHSXSESA-N 0 0 310.344 4.077 20 10 DICDRN COc1ccc(C[C@@H](C)C[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000756783769 1046133516 /nfs/dbraw/zinc/13/35/16/1046133516.db2.gz IUKZXEXAQSTVCL-ZIAGYGMSSA-N 0 0 317.404 4.069 20 10 DICDRN CC(=O)Nc1cccc(N[C@@H]2C[C@H](C)c3c2c(O)ccc3F)c1 ZINC000756796517 1046137148 /nfs/dbraw/zinc/13/71/48/1046137148.db2.gz XOBMSNVUKTZDBY-ZUZCIYMTSA-N 0 0 314.360 4.150 20 10 DICDRN C[C@@H](Nc1ccc2c(c1)OCCCO2)c1cc(F)cc(F)c1O ZINC000756794913 1046137163 /nfs/dbraw/zinc/13/71/63/1046137163.db2.gz CMMWVHPWQVFZGO-SNVBAGLBSA-N 0 0 321.323 4.005 20 10 DICDRN C[C@@H](Nc1cccc(OC(F)F)c1)c1cc(F)cc(F)c1O ZINC000756801801 1046137375 /nfs/dbraw/zinc/13/73/75/1046137375.db2.gz NKRBXMAZTQMXTN-MRVPVSSYSA-N 0 0 315.266 4.445 20 10 DICDRN COc1ccc(N[C@@H](C)c2ccc(C)c(C)c2O)cc1OC ZINC000756795485 1046137498 /nfs/dbraw/zinc/13/74/98/1046137498.db2.gz QWJRZSLXACSKPT-ZDUSSCGKSA-N 0 0 301.386 4.199 20 10 DICDRN COCc1cccc(N[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)c1 ZINC000756802690 1046137755 /nfs/dbraw/zinc/13/77/55/1046137755.db2.gz DTRVENLCBNOPDH-IAQYHMDHSA-N 0 0 301.361 4.338 20 10 DICDRN Cc1ccc([C@H](C)Nc2ccc3c(c2)OCCCO3)c(O)c1C ZINC000756794869 1046137775 /nfs/dbraw/zinc/13/77/75/1046137775.db2.gz BBOFVIWVEYDMMH-AWEZNQCLSA-N 0 0 313.397 4.343 20 10 DICDRN COc1c(F)cc(N[C@H](C)c2ccc(C)c(C)c2O)cc1F ZINC000756812951 1046138604 /nfs/dbraw/zinc/13/86/04/1046138604.db2.gz BXJYGCRUJCRKQG-LLVKDONJSA-N 0 0 307.340 4.469 20 10 DICDRN CC(=O)Nc1c(C)ccc(N[C@@H](C)c2ccc(C)cc2O)c1C ZINC000756815443 1046138884 /nfs/dbraw/zinc/13/88/84/1046138884.db2.gz QALXYWIIPUSEIK-AWEZNQCLSA-N 0 0 312.413 4.449 20 10 DICDRN Cc1ccc([C@H](C)Nc2ccc(N3CCCCC3)cn2)c(O)c1 ZINC000756814232 1046139378 /nfs/dbraw/zinc/13/93/78/1046139378.db2.gz 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[O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001139685400 1046499800 /nfs/dbraw/zinc/49/98/00/1046499800.db2.gz YAHZERIVTSMQEC-OAHLLOKOSA-N 0 0 317.379 4.125 20 10 DICDRN Oc1ccccc1CNc1cnc2cc(Cl)c(Cl)cc2n1 ZINC000782307737 1046517038 /nfs/dbraw/zinc/51/70/38/1046517038.db2.gz WCDJXZIAFVFSBG-UHFFFAOYSA-N 0 0 320.179 4.254 20 10 DICDRN CC[C@H]1CC[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000782667091 1046539394 /nfs/dbraw/zinc/53/93/94/1046539394.db2.gz LBFPMCSJNFLTFB-SAABIXHNSA-N 0 0 314.473 4.119 20 10 DICDRN CC1CCN(c2ccc(CNC(=O)C3=CCCCC3)cc2)CC1 ZINC000782680172 1046539617 /nfs/dbraw/zinc/53/96/17/1046539617.db2.gz GBOPMTXDOHJXSN-UHFFFAOYSA-N 0 0 312.457 4.040 20 10 DICDRN CN(C)c1ccc(CN(C)C(=O)c2cccc3ccccc32)cc1 ZINC000248088500 1046544053 /nfs/dbraw/zinc/54/40/53/1046544053.db2.gz FACWGXRPTNQJQE-UHFFFAOYSA-N 0 0 318.420 4.178 20 10 DICDRN Cc1cc(C(=O)NC(C)(C)C(F)F)c(C)n1-c1ccccc1C ZINC001140049927 1046576236 /nfs/dbraw/zinc/57/62/36/1046576236.db2.gz JLAZTJYJMISJOX-UHFFFAOYSA-N 0 0 320.383 4.176 20 10 DICDRN Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC001140055166 1046578316 /nfs/dbraw/zinc/57/83/16/1046578316.db2.gz MWGLXXILIMYEON-GFCCVEGCSA-N 0 0 305.780 4.174 20 10 DICDRN Oc1ccc(F)cc1C[N@H+](Cc1ccccc1)Cc1ccncc1 ZINC001140058246 1046578496 /nfs/dbraw/zinc/57/84/96/1046578496.db2.gz WGBHZRRHAAFQCF-UHFFFAOYSA-N 0 0 322.383 4.129 20 10 DICDRN CN(C)c1ccc(CN[C@@H](c2ccccc2)C(F)(F)F)cc1 ZINC000783671373 1046619762 /nfs/dbraw/zinc/61/97/62/1046619762.db2.gz YXYXNCQCPUYMKO-INIZCTEOSA-N 0 0 308.347 4.146 20 10 DICDRN Cc1ccncc1/C=C\C(=O)N(Cc1ccco1)c1ccccc1 ZINC000783834008 1046636060 /nfs/dbraw/zinc/63/60/60/1046636060.db2.gz XLARSNQIJXEIJL-KTKRTIGZSA-N 0 0 318.376 4.230 20 10 DICDRN Cc1ccncc1/C=C/C(=O)N1CC2(CCC2)c2c1cccc2F ZINC000783955081 1046647841 /nfs/dbraw/zinc/64/78/41/1046647841.db2.gz FSYICUTYCBSPIP-VOTSOKGWSA-N 0 0 322.383 4.011 20 10 DICDRN Cn1c2ccc(N[C@@H]3CCc4cccc(O)c43)cc2nc1C1CC1 ZINC000834755708 1046666663 /nfs/dbraw/zinc/66/66/63/1046666663.db2.gz HJHCZSFVZQOESP-OAHLLOKOSA-N 0 0 319.408 4.256 20 10 DICDRN COc1cc(N[C@H]2CCc3cccc(O)c32)ccc1OC(C)C ZINC000834770631 1046667982 /nfs/dbraw/zinc/66/79/82/1046667982.db2.gz WSYQOTQMOBXPKF-HNNXBMFYSA-N 0 0 313.397 4.287 20 10 DICDRN Fc1cccc2oc(NCCCSc3nccs3)nc21 ZINC000784202523 1046673252 /nfs/dbraw/zinc/67/32/52/1046673252.db2.gz QYSIPOCDUBLGJV-UHFFFAOYSA-N 0 0 309.391 4.018 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1sccc1Cl ZINC000795751021 1046675240 /nfs/dbraw/zinc/67/52/40/1046675240.db2.gz BGBMDTBFMPVVFE-UHFFFAOYSA-N 0 0 322.861 4.130 20 10 DICDRN Cc1conc1NCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000795791648 1046677941 /nfs/dbraw/zinc/67/79/41/1046677941.db2.gz LTRYIBBKCRRAMH-UHFFFAOYSA-N 0 0 319.408 4.158 20 10 DICDRN C[C@H](Nc1ccc(N(C)C)c(Cl)c1)c1cc(F)ccc1O ZINC000094617701 1046679211 /nfs/dbraw/zinc/67/92/11/1046679211.db2.gz VCCDSHKXPSTWFI-JTQLQIEISA-N 0 0 308.784 4.424 20 10 DICDRN C[C@H]([NH2+]Cc1cc(C2CC2)ccc1F)c1ccc(F)cc1[O-] ZINC000834841107 1046684834 /nfs/dbraw/zinc/68/48/34/1046684834.db2.gz PKTJWPQMIOGFFY-NSHDSACASA-N 0 0 303.352 4.399 20 10 DICDRN CC[C@H]([NH2+]CC1=CCOCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000834859744 1046688656 /nfs/dbraw/zinc/68/86/56/1046688656.db2.gz IGWFLVAUTNGXBN-ZDUSSCGKSA-N 0 0 316.228 4.086 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CC[C@H](CC)CC1 ZINC000784437686 1046689702 /nfs/dbraw/zinc/68/97/02/1046689702.db2.gz JMFBYFGQYWCBPQ-WKILWMFISA-N 0 0 303.446 4.347 20 10 DICDRN CC[C@@H]([NH2+]CCC(C)(C)CO)c1ccc(Cl)c(Cl)c1[O-] ZINC000834870649 1046690658 /nfs/dbraw/zinc/69/06/58/1046690658.db2.gz JWGJAYPRYIJPKD-GFCCVEGCSA-N 0 0 320.260 4.148 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)CC(C)(C)O)c1ccc(Cl)c(Cl)c1[O-] ZINC000834877101 1046693260 /nfs/dbraw/zinc/69/32/60/1046693260.db2.gz ZGMQNUOEDOZMFM-CABZTGNLSA-N 0 0 320.260 4.289 20 10 DICDRN C[C@@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000834878107 1046695037 /nfs/dbraw/zinc/69/50/37/1046695037.db2.gz QCFZFUOLRXKBOB-GLKRBJQHSA-N 0 0 319.351 4.233 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)c1cccc(Cl)c1[O-] ZINC000834882617 1046695733 /nfs/dbraw/zinc/69/57/33/1046695733.db2.gz MNAAGKDZLYBGDS-CZUORRHYSA-N 0 0 323.864 4.436 20 10 DICDRN CCN(C)c1ccc([C@H](C)Nc2cnn([C@H](C)C3CC3)c2)cc1 ZINC000249784865 1046699637 /nfs/dbraw/zinc/69/96/37/1046699637.db2.gz DHKYLHIBLMIHLI-LSDHHAIUSA-N 0 0 312.461 4.483 20 10 DICDRN CCc1ncc(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])o1 ZINC000834901049 1046710993 /nfs/dbraw/zinc/71/09/93/1046710993.db2.gz WEHLMXKUKOHOSO-QMMMGPOBSA-N 0 0 315.200 4.100 20 10 DICDRN CC[C@H]([NH2+]C1CCC(OC(F)F)CC1)c1ccc(F)cc1[O-] ZINC000834902599 1046712577 /nfs/dbraw/zinc/71/25/77/1046712577.db2.gz HJDSVXGPOFLOFK-YIZWMMSDSA-N 0 0 317.351 4.122 20 10 DICDRN CC[C@H]([NH2+]CCCOc1ccccc1)c1ccc(F)cc1[O-] ZINC000796678885 1046716441 /nfs/dbraw/zinc/71/64/41/1046716441.db2.gz KMHZYSSDXOUMMY-KRWDZBQOSA-N 0 0 303.377 4.041 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)c1ccc(F)cc1[O-] ZINC000796676120 1046716617 /nfs/dbraw/zinc/71/66/17/1046716617.db2.gz DGIMSSBQQDWBGD-IAQYHMDHSA-N 0 0 317.360 4.062 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1cccc(Cl)c1[O-] ZINC000834911998 1046717344 /nfs/dbraw/zinc/71/73/44/1046717344.db2.gz VGLOVCGJFKKLLB-IUODEOHRSA-N 0 0 311.853 4.292 20 10 DICDRN CC[C@@H](Nc1cccc(CCO)c1)c1cc(Cl)ccc1O ZINC000834911217 1046717736 /nfs/dbraw/zinc/71/77/36/1046717736.db2.gz IDOJOCOJWHUWLT-MRXNPFEDSA-N 0 0 305.805 4.144 20 10 DICDRN CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000834912851 1046718302 /nfs/dbraw/zinc/71/83/02/1046718302.db2.gz MROLNYXKCSMSEG-ZWKOPEQDSA-N 0 0 318.244 4.307 20 10 DICDRN Cc1cc(Cl)cc([C@@H](C)Nc2cccc(CCO)c2)c1O ZINC000834910934 1046719012 /nfs/dbraw/zinc/71/90/12/1046719012.db2.gz GODRNTKFIHQEMR-GFCCVEGCSA-N 0 0 305.805 4.062 20 10 DICDRN CC[C@H]([NH2+]CCc1cc(F)cc(F)c1)c1ccc(F)cc1[O-] ZINC000796735382 1046724230 /nfs/dbraw/zinc/72/42/30/1046724230.db2.gz AOYXFHWDBKNAHX-INIZCTEOSA-N 0 0 309.331 4.093 20 10 DICDRN CC[C@@H]([NH2+]C[C@H](C)Oc1ccccc1F)c1ccc(F)cc1[O-] ZINC000796778474 1046730583 /nfs/dbraw/zinc/73/05/83/1046730583.db2.gz XWTMOWVAHDCRRN-BLLLJJGKSA-N 0 0 321.367 4.179 20 10 DICDRN CC[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C)c1ccc(F)cc1[O-] ZINC000796772595 1046730613 /nfs/dbraw/zinc/73/06/13/1046730613.db2.gz UKBOWVXRPAKBMR-OWQGQXMQSA-N 0 0 323.452 4.413 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)c1ccc(F)cc1[O-] ZINC000796773069 1046731645 /nfs/dbraw/zinc/73/16/45/1046731645.db2.gz XBJLVEUIEDCLDM-GOSISDBHSA-N 0 0 316.420 4.147 20 10 DICDRN CC[C@H]([NH2+][C@H]1CCc2c1cccc2OC)c1ccc(F)cc1[O-] ZINC000796795622 1046734415 /nfs/dbraw/zinc/73/44/15/1046734415.db2.gz MEBBXYSQNCQKMZ-IRXDYDNUSA-N 0 0 315.388 4.268 20 10 DICDRN CC[C@@H]([NH2+][C@H]1CCc2c1cccc2OC)c1ccc(F)cc1[O-] ZINC000796795623 1046734556 /nfs/dbraw/zinc/73/45/56/1046734556.db2.gz MEBBXYSQNCQKMZ-SJORKVTESA-N 0 0 315.388 4.268 20 10 DICDRN CC[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1ccc(F)cc1[O-] ZINC000796821304 1046740418 /nfs/dbraw/zinc/74/04/18/1046740418.db2.gz UAELWGCUILXDMA-IRXDYDNUSA-N 0 0 303.352 4.399 20 10 DICDRN CC[C@H]([NH2+][C@@H]1COc2ccc(Cl)cc21)c1ccc(F)cc1[O-] ZINC000796831982 1046743522 /nfs/dbraw/zinc/74/35/22/1046743522.db2.gz KMMXKXPUUDBVMA-LSDHHAIUSA-N 0 0 321.779 4.359 20 10 DICDRN CC[C@@H]([NH2+][C@@H](CC)c1c(C)noc1C)c1ccc(F)cc1[O-] ZINC000796847929 1046744112 /nfs/dbraw/zinc/74/41/12/1046744112.db2.gz VRFIQEATWJBBDG-CABCVRRESA-N 0 0 306.381 4.328 20 10 DICDRN CC[C@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1ccc(F)cc1[O-] ZINC000796840372 1046744143 /nfs/dbraw/zinc/74/41/43/1046744143.db2.gz WPGNEAFYQLEFDD-KRWDZBQOSA-N 0 0 317.408 4.084 20 10 DICDRN CCc1nc([C@H](C)NC/C=C/c2ccc(N(C)C)cc2)cs1 ZINC000835039170 1046746574 /nfs/dbraw/zinc/74/65/74/1046746574.db2.gz CAQXDAZUAMPKMU-UZYOAWRESA-N 0 0 315.486 4.136 20 10 DICDRN CCO[C@@H](C[NH2+][C@@H](CC)c1ccc(F)cc1[O-])c1ccccc1 ZINC000796972317 1046764622 /nfs/dbraw/zinc/76/46/22/1046764622.db2.gz JOUOJDUBUBZNTJ-HKUYNNGSSA-N 0 0 317.404 4.350 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccc2ncccc2c1)c1ccc(F)cc1[O-] ZINC000796975771 1046767536 /nfs/dbraw/zinc/76/75/36/1046767536.db2.gz OXZBTYQWXFBCES-QGZVFWFLSA-N 0 0 310.372 4.320 20 10 DICDRN C[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000797067257 1046784897 /nfs/dbraw/zinc/78/48/97/1046784897.db2.gz YJOKTLUJONOELD-LAEOZQHASA-N 0 0 306.258 4.101 20 10 DICDRN [O-]c1cc(F)cc(F)c1C[NH+]1CCC(c2ccccc2)CC1 ZINC001140581196 1046792793 /nfs/dbraw/zinc/79/27/93/1046792793.db2.gz NAGHEWYDXKELKR-UHFFFAOYSA-N 0 0 303.352 4.050 20 10 DICDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001140583254 1046792912 /nfs/dbraw/zinc/79/29/12/1046792912.db2.gz BMYIPGQMUBOWET-GFCCVEGCSA-N 0 0 323.770 4.313 20 10 DICDRN C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1cc(Br)cc(Cl)c1[O-] ZINC000797130439 1046792993 /nfs/dbraw/zinc/79/29/93/1046792993.db2.gz REQKYPTXWAZWBT-YVZVNANGSA-N 0 0 318.642 4.257 20 10 DICDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC001140583861 1046793479 /nfs/dbraw/zinc/79/34/79/1046793479.db2.gz WKRQNAWITXXYFH-NSHDSACASA-N 0 0 323.770 4.313 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000797468984 1046838872 /nfs/dbraw/zinc/83/88/72/1046838872.db2.gz SZGPPFMAWRDDNB-MRVPVSSYSA-N 0 0 310.171 4.224 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000797468986 1046839012 /nfs/dbraw/zinc/83/90/12/1046839012.db2.gz SZGPPFMAWRDDNB-QMMMGPOBSA-N 0 0 310.171 4.224 20 10 DICDRN CN(c1ccc(CNC(=O)C2CCCC2)cc1)C1CCCCC1 ZINC000303082242 1046869078 /nfs/dbraw/zinc/86/90/78/1046869078.db2.gz VYLNDROWICFGCX-UHFFFAOYSA-N 0 0 314.473 4.262 20 10 DICDRN COc1ccc(O)c(CNc2cccc(-c3nccs3)c2)c1 ZINC000237364444 1046872916 /nfs/dbraw/zinc/87/29/16/1046872916.db2.gz FCIHAPAGRVLAON-UHFFFAOYSA-N 0 0 312.394 4.136 20 10 DICDRN CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)Cc1ccccc1O ZINC000303150032 1046881511 /nfs/dbraw/zinc/88/15/11/1046881511.db2.gz FVYYNOXYWDVQJF-UHFFFAOYSA-N 0 0 314.385 4.021 20 10 DICDRN CC[N@H+](Cc1ccccc1O)Cc1ccc(OC)cc1Cl ZINC001140823147 1046917179 /nfs/dbraw/zinc/91/71/79/1046917179.db2.gz VWXHTOFVCJFACE-UHFFFAOYSA-N 0 0 305.805 4.076 20 10 DICDRN COc1ccc(F)c(NCc2ccc(N3CCCCC3)cc2)c1 ZINC000237449660 1046920192 /nfs/dbraw/zinc/92/01/92/1046920192.db2.gz PZIVFEGARMMBRH-UHFFFAOYSA-N 0 0 314.404 4.437 20 10 DICDRN C[C@H]([NH2+]C[C@]1(C)CCCS1)c1cccc(C(F)(F)F)c1[O-] ZINC000798182091 1046934166 /nfs/dbraw/zinc/93/41/66/1046934166.db2.gz QEVVRBAKHIWOCG-HZMBPMFUSA-N 0 0 319.392 4.347 20 10 DICDRN C[C@@H]([NH2+]Cc1ccc(F)cc1)c1cccc(C(F)(F)F)c1[O-] ZINC000798179491 1046934364 /nfs/dbraw/zinc/93/43/64/1046934364.db2.gz CEFKYYPTMDJHPT-SNVBAGLBSA-N 0 0 313.294 4.401 20 10 DICDRN CN(C)c1ccc(CN(C(=O)c2ccoc2C2CC2)C2CC2)cc1 ZINC000798377365 1046950342 /nfs/dbraw/zinc/95/03/42/1046950342.db2.gz RSNPQLDVTUVPHI-UHFFFAOYSA-N 0 0 324.424 4.028 20 10 DICDRN CCCc1occc1C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000798399585 1046952830 /nfs/dbraw/zinc/95/28/30/1046952830.db2.gz HICBVKLAUSDXKM-UHFFFAOYSA-N 0 0 314.429 4.008 20 10 DICDRN Cc1ccc(C[N@H+](Cc2ccccc2)Cc2ccccn2)c(O)c1 ZINC001140947685 1046958005 /nfs/dbraw/zinc/95/80/05/1046958005.db2.gz ARWPZGFZHDYXFI-UHFFFAOYSA-N 0 0 318.420 4.298 20 10 DICDRN CC(C)=CCC[C@@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000836562366 1046973788 /nfs/dbraw/zinc/97/37/88/1046973788.db2.gz GEMGZOSDEBWGRS-MRXNPFEDSA-N 0 0 317.477 4.029 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)C1=CC[C@H](C)CC1 ZINC000836787876 1046988169 /nfs/dbraw/zinc/98/81/69/1046988169.db2.gz NORNOEUUOSXURS-HNNXBMFYSA-N 0 0 301.430 4.267 20 10 DICDRN Fc1ccc2c(c1)CN(Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141075856 1046998010 /nfs/dbraw/zinc/99/80/10/1046998010.db2.gz CXLCSTLJGMCJNH-UHFFFAOYSA-N 0 0 322.427 4.040 20 10 DICDRN CCN(CCCCC1CCOCC1)c1ccc(OC)c(OC)c1 ZINC000799129773 1047004224 /nfs/dbraw/zinc/00/42/24/1047004224.db2.gz VMHWHVXILKYKLW-UHFFFAOYSA-N 0 0 321.461 4.127 20 10 DICDRN FC1(F)CC[C@@H](c2noc(-c3ccc(-n4cccc4)cc3)n2)C1 ZINC000799189943 1047008490 /nfs/dbraw/zinc/00/84/90/1047008490.db2.gz XNDMXRGAWPECEH-CYBMUJFWSA-N 0 0 315.323 4.430 20 10 DICDRN COc1cc(O)c(CNc2cc(C)c(Cl)c(C)c2)cc1OC ZINC000799740595 1047061238 /nfs/dbraw/zinc/06/12/38/1047061238.db2.gz VAKHUYXNSQNVRV-UHFFFAOYSA-N 0 0 321.804 4.292 20 10 DICDRN Cc1ccc(NC(=S)NCc2cc(C)cc(Cl)n2)c(C)c1 ZINC000799899394 1047072099 /nfs/dbraw/zinc/07/20/99/1047072099.db2.gz RKZTWIDXFKPPOK-UHFFFAOYSA-N 0 0 319.861 4.147 20 10 DICDRN Cc1cc(Cl)nc(CNC(=S)Nc2c(C)cccc2C)c1 ZINC000799899051 1047072644 /nfs/dbraw/zinc/07/26/44/1047072644.db2.gz DIILAGWYLGHMRG-UHFFFAOYSA-N 0 0 319.861 4.147 20 10 DICDRN Cc1cc(C(=O)N2C3CCC2CC3)c(C)n1-c1cc(C)cc(C)c1 ZINC001141318139 1047089343 /nfs/dbraw/zinc/08/93/43/1047089343.db2.gz VJDVCCPGLHJCOY-UHFFFAOYSA-N 0 0 322.452 4.478 20 10 DICDRN CC[C@@H](C)N(OC)C(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC001137431848 1047106950 /nfs/dbraw/zinc/10/69/50/1047106950.db2.gz JPOAFRCBKSQLTF-CQSZACIVSA-N 0 0 314.429 4.205 20 10 DICDRN Cc1nc(CN2CCCc3cc(OC(F)F)ccc32)c(C)s1 ZINC001116357976 1047132708 /nfs/dbraw/zinc/13/27/08/1047132708.db2.gz FXPBFRUMUAQNPO-UHFFFAOYSA-N 0 0 324.396 4.314 20 10 DICDRN CCc1[nH]nc(NCc2cc(-c3ccccc3)ccc2O)c1C ZINC001116475609 1047146596 /nfs/dbraw/zinc/14/65/96/1047146596.db2.gz LJEJSGIYHYMSBP-UHFFFAOYSA-N 0 0 307.397 4.265 20 10 DICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1cccc(C(F)F)c1 ZINC001116747265 1047173625 /nfs/dbraw/zinc/17/36/25/1047173625.db2.gz KGJHAZLUZBHCAN-UHFFFAOYSA-N 0 0 315.722 4.412 20 10 DICDRN Cc1cc(-c2noc([C@@H](C)Sc3nccs3)n2)ccc1F ZINC000133253325 1047203096 /nfs/dbraw/zinc/20/30/96/1047203096.db2.gz FULXZRWAIPMVSE-SECBINFHSA-N 0 0 321.402 4.494 20 10 DICDRN Cc1cc(-c2nnc(CC(C)(C)C)o2)c(C)n1-c1ccccn1 ZINC001117214362 1047209213 /nfs/dbraw/zinc/20/92/13/1047209213.db2.gz QFVTZOLZUJWDRY-UHFFFAOYSA-N 0 0 310.401 4.128 20 10 DICDRN FC(F)(CNCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001117631234 1047233423 /nfs/dbraw/zinc/23/34/23/1047233423.db2.gz NGFQNFWALKUNDX-UHFFFAOYSA-N 0 0 316.395 4.168 20 10 DICDRN C[C@@H]([NH2+]Cc1ccsc1Br)c1ccccc1O ZINC000388547634 1047286607 /nfs/dbraw/zinc/28/66/07/1047286607.db2.gz JEXUWVITWBMZAZ-SECBINFHSA-N 0 0 312.232 4.067 20 10 DICDRN COc1ccc(N(Cc2ccccc2)Cc2ccnc(C)n2)cc1 ZINC000796443703 1047286993 /nfs/dbraw/zinc/28/69/93/1047286993.db2.gz VIBCAMGBEWNSAB-UHFFFAOYSA-N 0 0 319.408 4.000 20 10 DICDRN Cc1cc(-c2nnc([C@@H]3CCO[C@@H]3C)o2)c(C)n1-c1ccccc1 ZINC001118414883 1047289995 /nfs/dbraw/zinc/28/99/95/1047289995.db2.gz LTCAQHFPAYCPEI-GDBMZVCRSA-N 0 0 323.396 4.037 20 10 DICDRN COc1cccc([C@H]2CCC[N@@H+]2Cc2cc(F)c(F)cc2[O-])c1 ZINC001142527249 1047308523 /nfs/dbraw/zinc/30/85/23/1047308523.db2.gz PVGQOOFGAPEERZ-QGZVFWFLSA-N 0 0 319.351 4.016 20 10 DICDRN COc1ccc(N(Cc2ccnc(Cl)c2)C(C)C)cc1F ZINC000725816565 1047316594 /nfs/dbraw/zinc/31/65/94/1047316594.db2.gz YEUIMSRZMRZPRJ-UHFFFAOYSA-N 0 0 308.784 4.298 20 10 DICDRN C[N@H+](Cc1ccc2ccccc2c1)Cc1cc(F)c(F)cc1[O-] ZINC001142530417 1047318472 /nfs/dbraw/zinc/31/84/72/1047318472.db2.gz HDRKXLNZNIZIMF-UHFFFAOYSA-N 0 0 313.347 4.456 20 10 DICDRN CC(C)(C)c1cnc(C[NH2+]Cc2cccc(Cl)c2[O-])s1 ZINC000898218735 1047323951 /nfs/dbraw/zinc/32/39/51/1047323951.db2.gz NZAMQIPSCOASKC-UHFFFAOYSA-N 0 0 310.850 4.089 20 10 DICDRN C[C@@H](C(=O)NCc1ccccc1O)c1c(Cl)cccc1Cl ZINC000725895279 1047325089 /nfs/dbraw/zinc/32/50/89/1047325089.db2.gz CCSPAJWADIBXFX-SNVBAGLBSA-N 0 0 324.207 4.119 20 10 DICDRN C[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1F)c1cc(F)cc(F)c1[O-] ZINC000840788524 1047332258 /nfs/dbraw/zinc/33/22/58/1047332258.db2.gz PUSYKCXCOQKNQD-UOWOHEGISA-N 0 0 307.315 4.016 20 10 DICDRN CN(C)c1ccc(CN(C(=O)C2CCCCCC2)C2CC2)cc1 ZINC000726141783 1047337223 /nfs/dbraw/zinc/33/72/23/1047337223.db2.gz YEWRMAALNBXLFN-UHFFFAOYSA-N 0 0 314.473 4.214 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898326226 1047337982 /nfs/dbraw/zinc/33/79/82/1047337982.db2.gz UAQXMCFNKOYRSV-HNNXBMFYSA-N 0 0 323.223 4.335 20 10 DICDRN O=C(NCc1ccc(N2CCCCC2)cc1)C1CCCCCC1 ZINC000726161551 1047338622 /nfs/dbraw/zinc/33/86/22/1047338622.db2.gz HBVFPPYRCHNURO-UHFFFAOYSA-N 0 0 314.473 4.264 20 10 DICDRN C[C@@H]([NH2+]Cc1cnccc1C(C)(C)C)c1ccc(F)cc1[O-] ZINC000840858112 1047345851 /nfs/dbraw/zinc/34/58/51/1047345851.db2.gz QFVUOXXFPMMTPX-GFCCVEGCSA-N 0 0 302.393 4.075 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000840858701 1047345874 /nfs/dbraw/zinc/34/58/74/1047345874.db2.gz BNSIFBVTZFVGHD-HLTSFMKQSA-N 0 0 306.258 4.244 20 10 DICDRN C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000840872280 1047349196 /nfs/dbraw/zinc/34/91/96/1047349196.db2.gz JKUBRLJJCNXYSS-CHWFTXMASA-N 0 0 318.244 4.163 20 10 DICDRN Cc1cc(C)c([C@@H](C)Nc2cccc([C@@H]3CCC(=O)N3)c2)c(O)c1 ZINC000840884405 1047352257 /nfs/dbraw/zinc/35/22/57/1047352257.db2.gz MCUIDWOJSPIURB-PBHICJAKSA-N 0 0 324.424 4.133 20 10 DICDRN CC[C@@H](Nc1cccc([C@@H]2CCC(=O)N2)c1)c1ccc(C)cc1O ZINC000840885215 1047353255 /nfs/dbraw/zinc/35/32/55/1047353255.db2.gz WCWZYOJSOSCFCG-MSOLQXFVSA-N 0 0 324.424 4.215 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])[C@H](O)C(C)C ZINC000840881179 1047353731 /nfs/dbraw/zinc/35/37/31/1047353731.db2.gz GGLMOSHPNPAYOL-DUFXMDAXSA-N 0 0 320.260 4.145 20 10 DICDRN Cc1cc(N(C)C)ccc1CNc1ccccc1N1CCCC1 ZINC000840925992 1047361114 /nfs/dbraw/zinc/36/11/14/1047361114.db2.gz LLNYDTVYTVPBFW-UHFFFAOYSA-N 0 0 309.457 4.273 20 10 DICDRN O=C(Nc1cccc(N2CCCC2)c1)c1ccc(C(F)F)cc1 ZINC000726504477 1047365671 /nfs/dbraw/zinc/36/56/71/1047365671.db2.gz YMTBTDREXTWRQV-UHFFFAOYSA-N 0 0 316.351 4.477 20 10 DICDRN CCCOc1ccc(CNc2ccc(N)cc2)c(OCCC)c1 ZINC000841040133 1047374917 /nfs/dbraw/zinc/37/49/17/1047374917.db2.gz JNHMSAVROVXZSR-UHFFFAOYSA-N 0 0 314.429 4.459 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CC(C)(C)C ZINC000726947756 1047394377 /nfs/dbraw/zinc/39/43/77/1047394377.db2.gz MWYQRYHVJRUGJA-UHFFFAOYSA-N 0 0 304.459 4.274 20 10 DICDRN COc1ccc(N(Cc2cccnc2Cl)CC(C)C)cc1 ZINC000726969551 1047396018 /nfs/dbraw/zinc/39/60/18/1047396018.db2.gz ZEQRGXQSHQLHMV-UHFFFAOYSA-N 0 0 304.821 4.406 20 10 DICDRN CN(C(=O)Nc1ccc(N)cc1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000841297610 1047400189 /nfs/dbraw/zinc/40/01/89/1047400189.db2.gz HKNLMEZSHFSVGZ-ROUUACIJSA-N 0 0 309.413 4.069 20 10 DICDRN CCC1CCC(N(C(=O)Nc2ccc(N)cc2)C2CC2)CC1 ZINC000841298453 1047400532 /nfs/dbraw/zinc/40/05/32/1047400532.db2.gz PWKZJPKTIZSWGM-UHFFFAOYSA-N 0 0 301.434 4.234 20 10 DICDRN C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)Nc2ccc(N)cc2)C1 ZINC000841299251 1047400696 /nfs/dbraw/zinc/40/06/96/1047400696.db2.gz HYZLXMALFDEZTK-RDTXWAMCSA-N 0 0 309.413 4.274 20 10 DICDRN Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)Nc2ccc(N)cc2)cc1 ZINC000841299536 1047401944 /nfs/dbraw/zinc/40/19/44/1047401944.db2.gz IKKGGGOBULYIHJ-MOPGFXCFSA-N 0 0 323.440 4.377 20 10 DICDRN C[C@@H]1CCN(C(=O)Nc2ccc(N)cc2)[C@H]1c1cccc(F)c1 ZINC000841299489 1047402164 /nfs/dbraw/zinc/40/21/64/1047402164.db2.gz HQHQIAVIRHDATN-SJKOYZFVSA-N 0 0 313.376 4.023 20 10 DICDRN Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(N)cc2)c1C ZINC000841299692 1047402247 /nfs/dbraw/zinc/40/22/47/1047402247.db2.gz IAOAHIBTLPTIPH-SFHVURJKSA-N 0 0 309.413 4.255 20 10 DICDRN Nc1ccc(NC(=O)NC2CCC(c3ccccc3)CC2)cc1 ZINC000841302311 1047402847 /nfs/dbraw/zinc/40/28/47/1047402847.db2.gz SLIQPXIWYHTJTE-UHFFFAOYSA-N 0 0 309.413 4.117 20 10 DICDRN CC(C)CN(CCc1ccccc1)C(=O)Nc1ccc(N)cc1 ZINC000841301585 1047403576 /nfs/dbraw/zinc/40/35/76/1047403576.db2.gz VSPIWUJUNZNGQK-UHFFFAOYSA-N 0 0 311.429 4.001 20 10 DICDRN COc1ccc(N(Cc2ccco2)Cc2nccs2)cc1F ZINC000749523046 1047424872 /nfs/dbraw/zinc/42/48/72/1047424872.db2.gz MKRPHROKLNVIEK-UHFFFAOYSA-N 0 0 318.373 4.091 20 10 DICDRN CC[C@H](CC1CCCCC1)C(=O)NCc1cccc(OC)c1O ZINC000749531813 1047425911 /nfs/dbraw/zinc/42/59/11/1047425911.db2.gz TYJJDEMDFXDGJT-OAHLLOKOSA-N 0 0 319.445 4.014 20 10 DICDRN Cc1cc(C(=O)Nc2cnoc2)c(C)n1-c1cccc(C(C)C)c1 ZINC000749642426 1047428940 /nfs/dbraw/zinc/42/89/40/1047428940.db2.gz VYPMYRJAFBZQCS-UHFFFAOYSA-N 0 0 323.396 4.458 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000749852348 1047439260 /nfs/dbraw/zinc/43/92/60/1047439260.db2.gz YTNRMTCFQHTYQV-SJLPKXTDSA-N 0 0 316.489 4.318 20 10 DICDRN C[C@H]1CCC[C@@H](CC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000749851146 1047439413 /nfs/dbraw/zinc/43/94/13/1047439413.db2.gz SKMQKUNNNGAACV-FUHWJXTLSA-N 0 0 314.473 4.119 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000749852345 1047440008 /nfs/dbraw/zinc/44/00/08/1047440008.db2.gz YTNRMTCFQHTYQV-AEFFLSMTSA-N 0 0 316.489 4.318 20 10 DICDRN C[C@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1ccc(Cl)cc1[O-] ZINC000841745639 1047448850 /nfs/dbraw/zinc/44/88/50/1047448850.db2.gz RLZCADTZHQKCBC-LRDDRELGSA-N 0 0 321.852 4.008 20 10 DICDRN C[C@H]([NH2+]CCC[C@H]1CCCC[C@H]1O)c1ccc(Cl)cc1[O-] ZINC000841751442 1047449903 /nfs/dbraw/zinc/44/99/03/1047449903.db2.gz NBILQRNNOMJHEQ-WOSRLPQWSA-N 0 0 311.853 4.028 20 10 DICDRN COc1ccc(N[C@@H](C)c2ccc(Cl)cc2O)cc1OC ZINC000841751170 1047450392 /nfs/dbraw/zinc/45/03/92/1047450392.db2.gz MCRFWXPGJBTBST-JTQLQIEISA-N 0 0 307.777 4.236 20 10 DICDRN Cc1cccnc1CCC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841755580 1047451859 /nfs/dbraw/zinc/45/18/59/1047451859.db2.gz JOVPQBOPAWQRML-CYBMUJFWSA-N 0 0 304.821 4.032 20 10 DICDRN C[C@@H](Nc1ccc2c(c1)OCCCO2)c1ccc(Cl)cc1O ZINC000841753395 1047452124 /nfs/dbraw/zinc/45/21/24/1047452124.db2.gz ZLMACGIFAKUPIT-LLVKDONJSA-N 0 0 319.788 4.380 20 10 DICDRN C[C@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)c1ccc(Cl)cc1[O-] ZINC000841753062 1047452282 /nfs/dbraw/zinc/45/22/82/1047452282.db2.gz RTALWCJCYFFFTN-UPJWGTAASA-N 0 0 311.853 4.290 20 10 DICDRN Cc1cccnc1CCC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841756728 1047453332 /nfs/dbraw/zinc/45/33/32/1047453332.db2.gz JOVPQBOPAWQRML-ZDUSSCGKSA-N 0 0 304.821 4.032 20 10 DICDRN C[C@@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)c1ccc(Cl)cc1[O-] ZINC000841758607 1047453543 /nfs/dbraw/zinc/45/35/43/1047453543.db2.gz TYIHXODNJFMWNA-CHWSQXEVSA-N 0 0 309.837 4.046 20 10 DICDRN C[C@H]([NH2+]CC1(CCO)CCCCC1)c1ccc(Cl)cc1[O-] ZINC000841761644 1047455779 /nfs/dbraw/zinc/45/57/79/1047455779.db2.gz ZHMFQMHWQNQBHQ-ZDUSSCGKSA-N 0 0 311.853 4.029 20 10 DICDRN CC[C@H](C)CCCCC(=O)NCc1ccc2c(c1)CCCN2C ZINC001142465695 1047460044 /nfs/dbraw/zinc/46/00/44/1047460044.db2.gz NFLKCECRFXKTAG-INIZCTEOSA-N 0 0 316.489 4.292 20 10 DICDRN Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142512592 1047463515 /nfs/dbraw/zinc/46/35/15/1047463515.db2.gz FMHPMVMVMJWYFH-KRWDZBQOSA-N 0 0 303.352 4.316 20 10 DICDRN [O-]c1cc(F)c(F)cc1C[NH+]1CCC(c2ccccc2)CC1 ZINC001142512781 1047463922 /nfs/dbraw/zinc/46/39/22/1047463922.db2.gz KQYBKDGVVOXRFD-UHFFFAOYSA-N 0 0 303.352 4.050 20 10 DICDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC001142524750 1047464621 /nfs/dbraw/zinc/46/46/21/1047464621.db2.gz JAZIZDIBFPAHAE-LLVKDONJSA-N 0 0 323.770 4.313 20 10 DICDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001142521075 1047465139 /nfs/dbraw/zinc/46/51/39/1047465139.db2.gz WPPWTYPLLNDYSO-CQSZACIVSA-N 0 0 303.352 4.050 20 10 DICDRN CC/C=C(\C)C(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001142674372 1047477781 /nfs/dbraw/zinc/47/77/81/1047477781.db2.gz VFDVIWRKLZIBIX-VGMNTSGFSA-N 0 0 301.430 4.105 20 10 DICDRN CC(C)(C)c1cnc(SCc2nc(C(F)F)no2)s1 ZINC000842568539 1047490518 /nfs/dbraw/zinc/49/05/18/1047490518.db2.gz SKDDMKNIFBZTIF-UHFFFAOYSA-N 0 0 305.375 4.054 20 10 DICDRN C[C@@H](c1ccccc1)n1cc(N[C@H]2CCc3cccc(O)c32)cn1 ZINC000842904684 1047513549 /nfs/dbraw/zinc/51/35/49/1047513549.db2.gz WNAHIGKYBBRTHN-KSSFIOAISA-N 0 0 319.408 4.297 20 10 DICDRN C[C@H]([NH2+]C1(c2ccccc2F)CCC1)c1ccc(F)cc1[O-] ZINC000842906924 1047513821 /nfs/dbraw/zinc/51/38/21/1047513821.db2.gz XZIOKQUDFLRMLE-LBPRGKRZSA-N 0 0 303.352 4.400 20 10 DICDRN CC[C@@H](C)Oc1ccc(-c2nc(Cc3ccc(N)cc3)no2)cc1 ZINC000843158983 1047530232 /nfs/dbraw/zinc/53/02/32/1047530232.db2.gz JVNZIRLOTGTLHQ-CYBMUJFWSA-N 0 0 323.396 4.087 20 10 DICDRN CCCCc1ccc(NC(=S)NCc2ccc(C)cn2)cc1 ZINC000843282231 1047538778 /nfs/dbraw/zinc/53/87/78/1047538778.db2.gz 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DICDRN Oc1c(F)cc(F)cc1CNc1ccc(N2CCCC2)c(F)c1 ZINC001177359676 1048880018 /nfs/dbraw/zinc/88/00/18/1048880018.db2.gz WVTIGVDEDXUKCW-UHFFFAOYSA-N 0 0 322.330 4.022 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(C)nc2C)cc1 ZINC001126969366 1048906319 /nfs/dbraw/zinc/90/63/19/1048906319.db2.gz JFHGGKIEIYRSBC-UHFFFAOYSA-N 0 0 319.408 4.358 20 10 DICDRN CNc1ccc(Nc2ccc(Cc3ccc(N)cc3)cc2)cn1 ZINC001203459189 1048906524 /nfs/dbraw/zinc/90/65/24/1048906524.db2.gz ZOAMJKYGUJMILE-UHFFFAOYSA-N 0 0 304.397 4.040 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CCC2(CCC2)CC1 ZINC001203573558 1048932229 /nfs/dbraw/zinc/93/22/29/1048932229.db2.gz DTGFXJXPURVCAW-UHFFFAOYSA-N 0 0 300.229 4.465 20 10 DICDRN CCc1ccc(CN2CCCc3cc(OC(F)F)ccc32)nc1 ZINC001191655812 1048978673 /nfs/dbraw/zinc/97/86/73/1048978673.db2.gz RCZIRUILPRDVPA-UHFFFAOYSA-N 0 0 318.367 4.198 20 10 DICDRN Cc1ccc(Cl)c(NC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001191722182 1048983553 /nfs/dbraw/zinc/98/35/53/1048983553.db2.gz FXSVUSWAAOGELP-NSHDSACASA-N 0 0 304.777 4.237 20 10 DICDRN CN(C(=O)C1=CC(=O)CS1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000854952780 1049001226 /nfs/dbraw/zinc/00/12/26/1049001226.db2.gz NQSIZZVROWUVIO-JKSUJKDBSA-N 0 0 315.438 4.252 20 10 DICDRN CC[C@H]([NH2+]CC(C)(C)N(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775482949 1049003055 /nfs/dbraw/zinc/00/30/55/1049003055.db2.gz ILIZWDLPJZSKKD-LBPRGKRZSA-N 0 0 319.276 4.080 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)COc1ccc(F)cc1F)c1ccccc1O ZINC000775487453 1049008963 /nfs/dbraw/zinc/00/89/63/1049008963.db2.gz CAUCUXFEORXCDA-BLLLJJGKSA-N 0 0 321.367 4.179 20 10 DICDRN CCN(Cc1cccnc1C(F)(F)F)c1ccc(OC)cc1 ZINC001191838793 1049009913 /nfs/dbraw/zinc/00/99/13/1049009913.db2.gz LKZUFKKAHOJMRA-UHFFFAOYSA-N 0 0 310.319 4.136 20 10 DICDRN CCOc1ncccc1C[NH2+][C@@H](CC)c1cc(Cl)ccc1O ZINC000775491126 1049012799 /nfs/dbraw/zinc/01/27/99/1049012799.db2.gz AQPXSDXSPPLPAC-HNNXBMFYSA-N 0 0 320.820 4.080 20 10 DICDRN CC(C)(C)C[C@H](NCc1ccc2c(c1)CCO2)C(F)(F)F ZINC001178346028 1049017031 /nfs/dbraw/zinc/01/70/31/1049017031.db2.gz DJKYANCIBXDMHG-AWEZNQCLSA-N 0 0 301.352 4.078 20 10 DICDRN Oc1ccc(CN2CCC[C@H]2c2ccc(Cl)cc2)cc1O ZINC001203879610 1049021545 /nfs/dbraw/zinc/02/15/45/1049021545.db2.gz UXLOUGKFCAWGFA-HNNXBMFYSA-N 0 0 303.789 4.088 20 10 DICDRN CC[C@@H](Nc1ccc(OC)c(F)c1)c1ccc(N(C)C)cc1 ZINC000776812321 1049035185 /nfs/dbraw/zinc/03/51/85/1049035185.db2.gz YWQVDMGALZGFJK-QGZVFWFLSA-N 0 0 302.393 4.464 20 10 DICDRN COc1ccc(N(Cc2ccc(C(C)C)cc2)C[C@@H](C)O)cc1 ZINC001192070780 1049038020 /nfs/dbraw/zinc/03/80/20/1049038020.db2.gz NIDHVWXKPTZEMU-MRXNPFEDSA-N 0 0 313.441 4.206 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)c1coc2ccccc12 ZINC000113422609 1049039577 /nfs/dbraw/zinc/03/95/77/1049039577.db2.gz GXQUKYJDCDOWPE-UHFFFAOYSA-N 0 0 309.365 4.191 20 10 DICDRN CC[C@@H]([NH2+][C@@H](CC)c1cc(Cl)ccc1O)C1CCOCC1 ZINC000775514372 1049063062 /nfs/dbraw/zinc/06/30/62/1049063062.db2.gz ZRUVZPQYNSBTQO-CVEARBPZSA-N 0 0 311.853 4.292 20 10 DICDRN CCCCn1ncc(NCc2cc(F)cc(F)c2O)c1C(C)C ZINC001178620547 1049067875 /nfs/dbraw/zinc/06/78/75/1049067875.db2.gz PXANNHXKDOHOGE-UHFFFAOYSA-N 0 0 323.387 4.403 20 10 DICDRN CC[C@H](OCCN(C)c1ccc2c(c1)OCO2)c1ccccc1 ZINC001192281767 1049073374 /nfs/dbraw/zinc/07/33/74/1049073374.db2.gz CQFAPTXZBOFHCT-KRWDZBQOSA-N 0 0 313.397 4.019 20 10 DICDRN CCCCCC[C@H](C)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000773763673 1049073762 /nfs/dbraw/zinc/07/37/62/1049073762.db2.gz XVRRLRASSCUBFD-LSDHHAIUSA-N 0 0 321.461 4.142 20 10 DICDRN CC[C@@H]([NH2+]CCC[C@@H](C)CO)c1ccc(Cl)c(Cl)c1[O-] ZINC000775524264 1049083345 /nfs/dbraw/zinc/08/33/45/1049083345.db2.gz DUFJHVLKGUYLHM-ZWNOBZJWSA-N 0 0 320.260 4.148 20 10 DICDRN CC[C@@H](O)CCC[NH2+][C@@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775525833 1049090845 /nfs/dbraw/zinc/09/08/45/1049090845.db2.gz GATPYYIAKXFABR-MFKMUULPSA-N 0 0 320.260 4.291 20 10 DICDRN C[C@@H]1c2ccccc2CCN1Cc1cc(F)c(N(C)C)cc1F ZINC001204163690 1049100668 /nfs/dbraw/zinc/10/06/68/1049100668.db2.gz SIXUYLYYRQBNTN-CYBMUJFWSA-N 0 0 316.395 4.150 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775525459 1049100700 /nfs/dbraw/zinc/10/07/00/1049100700.db2.gz ZMHGVBZHEDUDQP-UFBFGSQYSA-N 0 0 314.216 4.224 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)Cc1c(F)cccc1F ZINC001204206265 1049111976 /nfs/dbraw/zinc/11/19/76/1049111976.db2.gz YXIGAFHKSITQDM-UHFFFAOYSA-N 0 0 304.384 4.053 20 10 DICDRN CC[C@H](Nc1cc(C)ccn1)c1cc(Br)ccc1O ZINC000775532215 1049112395 /nfs/dbraw/zinc/11/23/95/1049112395.db2.gz TUZYDNIIDQPJFX-ZDUSSCGKSA-N 0 0 321.218 4.421 20 10 DICDRN CC[C@H](Nc1cccc(CN2CCCC2=O)c1)c1ccccc1O ZINC000775531732 1049113364 /nfs/dbraw/zinc/11/33/64/1049113364.db2.gz BQRORSWYUYYXMD-SFHVURJKSA-N 0 0 324.424 4.078 20 10 DICDRN CC[C@@H]([NH2+]CCOC1CCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775534357 1049114139 /nfs/dbraw/zinc/11/41/39/1049114139.db2.gz CPDIBMSZYQNAJQ-CYBMUJFWSA-N 0 0 318.244 4.309 20 10 DICDRN CC[C@H]([NH2+]CCOC1CCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775534358 1049114552 /nfs/dbraw/zinc/11/45/52/1049114552.db2.gz CPDIBMSZYQNAJQ-ZDUSSCGKSA-N 0 0 318.244 4.309 20 10 DICDRN CC(C)[N@H+](Cc1ccccc1F)Cc1ccc(F)c(F)c1[O-] ZINC001204269901 1049125198 /nfs/dbraw/zinc/12/51/98/1049125198.db2.gz FZNKXGMSNRBBAO-UHFFFAOYSA-N 0 0 309.331 4.220 20 10 DICDRN C[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000857080909 1049125853 /nfs/dbraw/zinc/12/58/53/1049125853.db2.gz LNBMDUFQZDYFNM-JGVFFNPUSA-N 0 0 310.171 4.395 20 10 DICDRN CCCC[C@@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)C(C)C ZINC000857117120 1049128755 /nfs/dbraw/zinc/12/87/55/1049128755.db2.gz VXOIAOACQYIOIJ-UKRRQHHQSA-N 0 0 307.434 4.040 20 10 DICDRN c1csc([C@H]2CCCN2Cc2ccc(N3CCCC3)cc2)n1 ZINC001204321059 1049143133 /nfs/dbraw/zinc/14/31/33/1049143133.db2.gz FWIGUKWUGWAUCZ-QGZVFWFLSA-N 0 0 313.470 4.080 20 10 DICDRN CC[C@H]([NH2+]CC[C@@H]1CCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775552201 1049144928 /nfs/dbraw/zinc/14/49/28/1049144928.db2.gz SXWOZDJIOBJUJA-MFKMUULPSA-N 0 0 318.244 4.166 20 10 DICDRN CC(C)CC1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CCCC1 ZINC000857434183 1049146580 /nfs/dbraw/zinc/14/65/80/1049146580.db2.gz ZKDONJTZXQWNAT-UHFFFAOYSA-N 0 0 316.489 4.318 20 10 DICDRN Cc1ccc(C(=O)N(C)Cc2ccccc2O)c(Cl)c1Cl ZINC000857466940 1049154517 /nfs/dbraw/zinc/15/45/17/1049154517.db2.gz MDRSKBSVKDIPIG-UHFFFAOYSA-N 0 0 324.207 4.280 20 10 DICDRN Cc1cc(Cc2nc([C@@H]3C[C@@H]3C)no2)c(C)n1-c1ccccc1 ZINC000904823755 1049156525 /nfs/dbraw/zinc/15/65/25/1049156525.db2.gz VJVPSFLCJILJOM-YVEFUNNKSA-N 0 0 307.397 4.191 20 10 DICDRN CC[C@H]1CC[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000857473386 1049157111 /nfs/dbraw/zinc/15/71/11/1049157111.db2.gz YAHJBVDFBDBPCY-KOMQPUFPSA-N 0 0 315.457 4.104 20 10 DICDRN CN(C)c1ccc2c(c1)OCCN2CC[C@H]1CCc2ccccc21 ZINC001192939884 1049157129 /nfs/dbraw/zinc/15/71/29/1049157129.db2.gz VMSXNCWNMZUFKD-QGZVFWFLSA-N 0 0 322.452 4.072 20 10 DICDRN CC[N@H+](Cc1cn(C(C)=O)c2ccccc12)Cc1ccccc1O ZINC001204411487 1049157399 /nfs/dbraw/zinc/15/73/99/1049157399.db2.gz ZRVIEWKASOCIJE-UHFFFAOYSA-N 0 0 322.408 4.029 20 10 DICDRN C[C@@H]1CCC[C@@H](CCN2CCOc3cc(N(C)C)ccc32)C1 ZINC001192937745 1049157499 /nfs/dbraw/zinc/15/74/99/1049157499.db2.gz BNKTXOUHTJOGRE-CVEARBPZSA-N 0 0 302.462 4.168 20 10 DICDRN CCCC[C@H](C)NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001193045126 1049164532 /nfs/dbraw/zinc/16/45/32/1049164532.db2.gz COMVQPCABCYEKQ-INIZCTEOSA-N 0 0 317.477 4.007 20 10 DICDRN CC(C)c1cccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000775567673 1049172419 /nfs/dbraw/zinc/17/24/19/1049172419.db2.gz JLNUGCJJIMODGM-ZDUSSCGKSA-N 0 0 314.385 4.275 20 10 DICDRN Cc1cc(Cl)c(C(=O)NCc2cc(Cl)ccc2O)cc1C ZINC000857548643 1049173702 /nfs/dbraw/zinc/17/37/02/1049173702.db2.gz RUIIHWHDSDDNOF-UHFFFAOYSA-N 0 0 324.207 4.246 20 10 DICDRN C[C@H](CC(=O)NCc1cc(Cl)ccc1O)C1CCCCC1 ZINC000857547611 1049173779 /nfs/dbraw/zinc/17/37/79/1049173779.db2.gz MFBXFGIXRCXEHC-GFCCVEGCSA-N 0 0 309.837 4.268 20 10 DICDRN COc1ccc(N2CCC(Nc3cccc4cc[nH]c43)CC2)cc1 ZINC000775570223 1049174813 /nfs/dbraw/zinc/17/48/13/1049174813.db2.gz ZSNAIUIEITUKGZ-UHFFFAOYSA-N 0 0 321.424 4.257 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CCc2c1cccc2F ZINC001179607481 1049184335 /nfs/dbraw/zinc/18/43/35/1049184335.db2.gz IKTOZSQSADGBCR-HNNXBMFYSA-N 0 0 309.743 4.101 20 10 DICDRN C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC001204542903 1049184965 /nfs/dbraw/zinc/18/49/65/1049184965.db2.gz JLJBZWFYJNJVCR-BBRMVZONSA-N 0 0 301.817 4.424 20 10 DICDRN Cc1ccc2ccccc2c1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001179683284 1049196885 /nfs/dbraw/zinc/19/68/85/1049196885.db2.gz HWEXOUNSLGWNFV-DHZHZOJOSA-N 0 0 319.360 4.211 20 10 DICDRN Cc1c[nH]c(C)c1C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001193358463 1049201282 /nfs/dbraw/zinc/20/12/82/1049201282.db2.gz PYLZRZOCGLVIRA-UHFFFAOYSA-N 0 0 319.408 4.061 20 10 DICDRN CC[C@H]1CCCC[C@@H]1[N@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC001193462626 1049212098 /nfs/dbraw/zinc/21/20/98/1049212098.db2.gz WVTXJOCJBBNUKM-GUYCJALGSA-N 0 0 307.409 4.135 20 10 DICDRN Cc1cc(C(=O)N[C@@H](C)C2(C)CC2)c(C)n1-c1ccccc1C ZINC001179837430 1049212694 /nfs/dbraw/zinc/21/26/94/1049212694.db2.gz WGCLLVPRWWCWPN-INIZCTEOSA-N 0 0 310.441 4.321 20 10 DICDRN CN(C[C@H]1C[C@@]12CCOC2)c1ccc(OCc2ccccc2)cc1 ZINC001193472013 1049212894 /nfs/dbraw/zinc/21/28/94/1049212894.db2.gz BEGFUUXRXGJFSP-WIYYLYMNSA-N 0 0 323.436 4.128 20 10 DICDRN Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC001204672988 1049218203 /nfs/dbraw/zinc/21/82/03/1049218203.db2.gz LDSSBHGKUBUWEM-HNNXBMFYSA-N 0 0 322.811 4.250 20 10 DICDRN Cc1ccc(C(C)(C)C[N@H+](C)Cc2cccc(F)c2[O-])cc1 ZINC001179877154 1049224745 /nfs/dbraw/zinc/22/47/45/1049224745.db2.gz ADWYFAKNWFEYJS-UHFFFAOYSA-N 0 0 301.405 4.249 20 10 DICDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)OC1CCCC1 ZINC001193595479 1049229317 /nfs/dbraw/zinc/22/93/17/1049229317.db2.gz TUYGKXAYEBRPOJ-QGZVFWFLSA-N 0 0 317.429 4.301 20 10 DICDRN CC(C)[N@H+](Cc1cccc(F)c1)Cc1cc(F)cc(F)c1[O-] ZINC001204696658 1049229367 /nfs/dbraw/zinc/22/93/67/1049229367.db2.gz DTRMMWYGGTVRGQ-UHFFFAOYSA-N 0 0 309.331 4.220 20 10 DICDRN C[C@@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1cc(F)cc(F)c1[O-] ZINC000858483945 1049261233 /nfs/dbraw/zinc/26/12/33/1049261233.db2.gz FCQYNBIJTBNJBY-DIFFPNOSSA-N 0 0 318.367 4.257 20 10 DICDRN C[C@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1cc(F)cc(F)c1[O-] ZINC000858483946 1049262279 /nfs/dbraw/zinc/26/22/79/1049262279.db2.gz FCQYNBIJTBNJBY-GTNSWQLSSA-N 0 0 318.367 4.257 20 10 DICDRN CC[N@H+](Cc1ccc(F)c(F)c1[O-])[C@H](C)c1ccc(F)cc1 ZINC001180043755 1049263935 /nfs/dbraw/zinc/26/39/35/1049263935.db2.gz XVQWLXIIJIPQCF-LLVKDONJSA-N 0 0 309.331 4.393 20 10 DICDRN CCC(F)(F)C(C)(C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858512355 1049267712 /nfs/dbraw/zinc/26/77/12/1049267712.db2.gz CKSWEOQFRCBXNA-JTQLQIEISA-N 0 0 316.348 4.023 20 10 DICDRN CCCN(Cc1ccc(N(C)C)cc1C(F)(F)F)CC(F)F ZINC001180064127 1049269050 /nfs/dbraw/zinc/26/90/50/1049269050.db2.gz BAVPKYAXDSUVPT-UHFFFAOYSA-N 0 0 324.337 4.249 20 10 DICDRN CC[C@H]([NH2+]Cc1cc(C)n(-c2ccccc2)c1C)c1cnn(C)c1 ZINC000858543464 1049271621 /nfs/dbraw/zinc/27/16/21/1049271621.db2.gz SSDRHWXSEUXNFQ-FQEVSTJZSA-N 0 0 322.456 4.069 20 10 DICDRN Cc1cc(C[NH2+][C@H](C)c2cncnc2C)c(C)n1-c1ccccc1 ZINC000858542330 1049272353 /nfs/dbraw/zinc/27/23/53/1049272353.db2.gz KKBUHPPCOWFDIB-OAHLLOKOSA-N 0 0 320.440 4.043 20 10 DICDRN CC[C@H](Nc1ccc(COC)c(OC)c1)c1ccc(C)cc1O ZINC000858567808 1049275876 /nfs/dbraw/zinc/27/58/76/1049275876.db2.gz JUOHURXDFVYRJW-KRWDZBQOSA-N 0 0 315.413 4.419 20 10 DICDRN C[C@@H]([NH2+]CC1(C(F)(F)F)CCCC1)c1ccc(F)cc1[O-] ZINC000858567275 1049275936 /nfs/dbraw/zinc/27/59/36/1049275936.db2.gz AKKYDKWVBXRYTH-SNVBAGLBSA-N 0 0 305.315 4.305 20 10 DICDRN COCc1ccc(N[C@@H](C)c2ccc(C)c(C)c2O)cc1OC ZINC000858567824 1049276137 /nfs/dbraw/zinc/27/61/37/1049276137.db2.gz KJDUFVLQAFWSIE-AWEZNQCLSA-N 0 0 315.413 4.337 20 10 DICDRN COCc1ccc(N[C@H](C)c2c(C)cc(C)cc2O)cc1OC ZINC000858568622 1049276261 /nfs/dbraw/zinc/27/62/61/1049276261.db2.gz VJAFASUBSHLZIO-CQSZACIVSA-N 0 0 315.413 4.337 20 10 DICDRN C[C@@H]([NH2+]CC1(C(F)(F)F)CCCC1)c1cc(F)cc(F)c1[O-] ZINC000858567432 1049276451 /nfs/dbraw/zinc/27/64/51/1049276451.db2.gz CQBOVAAZRFYLNR-SECBINFHSA-N 0 0 323.305 4.444 20 10 DICDRN COCc1ccc(N[C@@H](C)c2c(C)cc(C)cc2O)cc1OC ZINC000858568621 1049276630 /nfs/dbraw/zinc/27/66/30/1049276630.db2.gz VJAFASUBSHLZIO-AWEZNQCLSA-N 0 0 315.413 4.337 20 10 DICDRN CCCOc1ccc(N[C@H](C)c2ccccc2O)cc1OC ZINC000858603370 1049284989 /nfs/dbraw/zinc/28/49/89/1049284989.db2.gz ARBVKJSPUSXMGK-CYBMUJFWSA-N 0 0 301.386 4.363 20 10 DICDRN CC(C)[N@H+](Cc1cccc(F)c1)Cc1ccc(F)c(F)c1[O-] ZINC001180153853 1049300367 /nfs/dbraw/zinc/30/03/67/1049300367.db2.gz LYGFFFDHRFXUOU-UHFFFAOYSA-N 0 0 309.331 4.220 20 10 DICDRN Cc1cc(O)c(CNc2cccc(-n3ccnc3)c2)c(Cl)c1 ZINC001204936806 1049315657 /nfs/dbraw/zinc/31/56/57/1049315657.db2.gz ANUFDOMVCMWHGM-UHFFFAOYSA-N 0 0 313.788 4.152 20 10 DICDRN COc1ccc(N(CCC(C)C)Cc2cccc(F)n2)cc1 ZINC001194074685 1049316573 /nfs/dbraw/zinc/31/65/73/1049316573.db2.gz ZCRIPUNLPMIYEC-UHFFFAOYSA-N 0 0 302.393 4.282 20 10 DICDRN CC(=O)c1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1C ZINC000906309062 1049327221 /nfs/dbraw/zinc/32/72/21/1049327221.db2.gz DXNQEMQEOQWVBH-UHFFFAOYSA-N 0 0 322.408 4.050 20 10 DICDRN Nc1ccc(N(Cc2ccccc2)c2ccn3ccnc3c2)cc1 ZINC001204991253 1049333753 /nfs/dbraw/zinc/33/37/53/1049333753.db2.gz MZASTUBUCWMHCV-UHFFFAOYSA-N 0 0 314.392 4.255 20 10 DICDRN COc1ccc(C[N@H+](C)Cc2cc(Cl)c(F)cc2[O-])cc1C ZINC001180285097 1049336493 /nfs/dbraw/zinc/33/64/93/1049336493.db2.gz VJIWHHGCOASSHU-UHFFFAOYSA-N 0 0 323.795 4.134 20 10 DICDRN CCOc1c(Cl)cccc1CN1CCc2cc(OC)ccc21 ZINC001180296732 1049338992 /nfs/dbraw/zinc/33/89/92/1049338992.db2.gz KYGBIDILWBNHLA-UHFFFAOYSA-N 0 0 317.816 4.310 20 10 DICDRN CC[C@@H](C)[C@@H](C(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000116975251 1049356558 /nfs/dbraw/zinc/35/65/58/1049356558.db2.gz QYWKDGRCSRJLAE-DNVCBOLYSA-N 0 0 311.425 4.181 20 10 DICDRN Cc1ccccc1OCC[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC001180445794 1049357069 /nfs/dbraw/zinc/35/70/69/1049357069.db2.gz OAYFMJRSIQGZNU-UHFFFAOYSA-N 0 0 323.795 4.004 20 10 DICDRN C/C(=C/c1ccc(C)cc1)C(=O)NCc1cccc(Cl)c1O ZINC001180410967 1049361210 /nfs/dbraw/zinc/36/12/10/1049361210.db2.gz WARDGXPMCVFLFW-RAXLEYEMSA-N 0 0 315.800 4.074 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Oc1ccc(C)cc1 ZINC001194450793 1049374186 /nfs/dbraw/zinc/37/41/86/1049374186.db2.gz LCRLRPQBFPPCQY-UHFFFAOYSA-N 0 0 312.413 4.082 20 10 DICDRN CC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001180611869 1049391189 /nfs/dbraw/zinc/39/11/89/1049391189.db2.gz FNIRHQRPNLOQQU-OAHLLOKOSA-N 0 0 303.352 4.007 20 10 DICDRN CC[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001180611867 1049391308 /nfs/dbraw/zinc/39/13/08/1049391308.db2.gz FNIRHQRPNLOQQU-HNNXBMFYSA-N 0 0 303.352 4.007 20 10 DICDRN COc1ccc2c(c1)CCCN2C[C@H]1CCc2ccccc2C1 ZINC001180715623 1049396959 /nfs/dbraw/zinc/39/69/59/1049396959.db2.gz CFVKUGDJZCGKBO-INIZCTEOSA-N 0 0 307.437 4.253 20 10 DICDRN Oc1c(F)cc(Cl)cc1CN1CCc2c1cccc2Cl ZINC001180751487 1049401545 /nfs/dbraw/zinc/40/15/45/1049401545.db2.gz LIBDUNPHBFSIJR-UHFFFAOYSA-N 0 0 312.171 4.401 20 10 DICDRN CN(C)c1ccc(/C=C\CN2CCCc3c(F)cccc32)cc1 ZINC001180751695 1049401625 /nfs/dbraw/zinc/40/16/25/1049401625.db2.gz NRODKXUWCBUAJP-XQRVVYSFSA-N 0 0 310.416 4.358 20 10 DICDRN Cc1cc(N(C)C)ccc1CN1CCc2sc(Cl)cc2C1 ZINC001206429977 1049401977 /nfs/dbraw/zinc/40/19/77/1049401977.db2.gz NZSJHVQTLFZZMF-UHFFFAOYSA-N 0 0 320.889 4.334 20 10 DICDRN Oc1ccc(F)cc1CN1CC2(CCC2)c2c1cccc2F ZINC001180724111 1049403595 /nfs/dbraw/zinc/40/35/95/1049403595.db2.gz WFGLMSXKNAGLBR-UHFFFAOYSA-N 0 0 301.336 4.112 20 10 DICDRN Cc1ccnn1-c1ccccc1NCc1ccc(Cl)cc1O ZINC001180834883 1049408778 /nfs/dbraw/zinc/40/87/78/1049408778.db2.gz HUQROQDCLGXCCW-UHFFFAOYSA-N 0 0 313.788 4.152 20 10 DICDRN COc1ccc(O)c(CNc2cc(F)c(SC)c(F)c2)c1 ZINC001180818974 1049410309 /nfs/dbraw/zinc/41/03/09/1049410309.db2.gz FSHDMKZCBQNMLU-UHFFFAOYSA-N 0 0 311.353 4.013 20 10 DICDRN C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001205291698 1049429285 /nfs/dbraw/zinc/42/92/85/1049429285.db2.gz OQDYGOASGPDUAZ-WBMJQRKESA-N 0 0 302.805 4.024 20 10 DICDRN CCCc1cccc(/C=C2\SC(=S)N(C3CC3)C2=O)c1 ZINC000773896447 1049433279 /nfs/dbraw/zinc/43/32/79/1049433279.db2.gz FPOCYCHUXCELIN-UVTDQMKNSA-N 0 0 303.452 4.003 20 10 DICDRN COc1cc(N(C)CC(C(C)C)C(C)C)cc(OC)c1OC ZINC001205353625 1049447317 /nfs/dbraw/zinc/44/73/17/1049447317.db2.gz LSRSDNNSIBIYIQ-UHFFFAOYSA-N 0 0 309.450 4.077 20 10 DICDRN CC1(C)CN(Cc2cccc(F)c2O)c2cccc(Cl)c21 ZINC001205360243 1049450178 /nfs/dbraw/zinc/45/01/78/1049450178.db2.gz PXYRWHPRTVMABT-UHFFFAOYSA-N 0 0 305.780 4.483 20 10 DICDRN Cc1ccc(CN2C[C@@H](C)Oc3c(Cl)cccc32)c(O)c1 ZINC001181336601 1049463127 /nfs/dbraw/zinc/46/31/27/1049463127.db2.gz JSZPZSXDULBLLV-GFCCVEGCSA-N 0 0 303.789 4.142 20 10 DICDRN COc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(Cl)c2[O-])cc1 ZINC000775633853 1049470401 /nfs/dbraw/zinc/47/04/01/1049470401.db2.gz MELROJLHAVBSQJ-QGZVFWFLSA-N 0 0 317.816 4.391 20 10 DICDRN CN(Cc1ccc(N2CCCCC2)cc1)c1nc2ccccc2o1 ZINC000862191867 1049476977 /nfs/dbraw/zinc/47/69/77/1049476977.db2.gz IEHGTAUBTMHWJV-UHFFFAOYSA-N 0 0 321.424 4.455 20 10 DICDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC001205466649 1049477411 /nfs/dbraw/zinc/47/74/11/1049477411.db2.gz XNIIAROWJAYAKE-GOEBONIOSA-N 0 0 317.379 4.171 20 10 DICDRN C[N@H+](Cc1csc(C(F)(F)F)c1)Cc1ccccc1O ZINC000862227751 1049479207 /nfs/dbraw/zinc/47/92/07/1049479207.db2.gz HGJJLRLXTJMKQD-UHFFFAOYSA-N 0 0 301.333 4.105 20 10 DICDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1cnc(C2CC2)o1 ZINC000862324449 1049486551 /nfs/dbraw/zinc/48/65/51/1049486551.db2.gz MSYQJARISBKGGJ-UHFFFAOYSA-N 0 0 320.339 4.106 20 10 DICDRN CCN(C)c1ccc([C@@H](C)Nc2ccc(N3CCCC3)nc2)cc1 ZINC000777247447 1049488855 /nfs/dbraw/zinc/48/88/55/1049488855.db2.gz FERNEBBHWSVABN-MRXNPFEDSA-N 0 0 324.472 4.311 20 10 DICDRN CC[C@H](C)OC(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001195161615 1049489661 /nfs/dbraw/zinc/48/96/61/1049489661.db2.gz MHTGNGKJXHIABU-BLLLJJGKSA-N 0 0 305.418 4.157 20 10 DICDRN Oc1ccc(-c2ccccc2)cc1Cn1cnc2c1CCCC2 ZINC000862431140 1049493881 /nfs/dbraw/zinc/49/38/81/1049493881.db2.gz KCGWLKYEZTXJRR-UHFFFAOYSA-N 0 0 304.393 4.183 20 10 DICDRN CCc1cccc(CNc2ccc3c(c2)[C@@H](C)CC(=O)N3C)c1O ZINC000862537616 1049499787 /nfs/dbraw/zinc/49/97/87/1049499787.db2.gz ZSDZRNRQZOJZNE-ZDUSSCGKSA-N 0 0 324.424 4.037 20 10 DICDRN CC[C@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@H]1CC1(C)C ZINC001195269844 1049506306 /nfs/dbraw/zinc/50/63/06/1049506306.db2.gz PYQFDRGJTNYKSK-CABCVRRESA-N 0 0 309.837 4.163 20 10 DICDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1cc(C)ccn1 ZINC001195325396 1049509480 /nfs/dbraw/zinc/50/94/80/1049509480.db2.gz ZEPDAFVESXIVIF-KRWDZBQOSA-N 0 0 310.441 4.234 20 10 DICDRN C[C@@H]1CN(C)c2ccccc2N(Cc2cccc(Cl)c2O)C1 ZINC001181739172 1049510744 /nfs/dbraw/zinc/51/07/44/1049510744.db2.gz GMDSNWABFAGERB-CYBMUJFWSA-N 0 0 316.832 4.138 20 10 DICDRN Cc1cc(O)c(CNc2cnn([C@@H](C)C3CC3)c2)cc1Cl ZINC000825561933 1049513470 /nfs/dbraw/zinc/51/34/70/1049513470.db2.gz IIVMODWIKUIQEQ-NSHDSACASA-N 0 0 305.809 4.134 20 10 DICDRN CC(=O)c1cc(F)cc(CN([C@@H](C)c2ccco2)C2CC2)c1O ZINC000119186237 1049523726 /nfs/dbraw/zinc/52/37/26/1049523726.db2.gz ACJHJHDCPLVXNS-NSHDSACASA-N 0 0 317.360 4.053 20 10 DICDRN CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(Cl)c1[O-] ZINC000775652482 1049524792 /nfs/dbraw/zinc/52/47/92/1049524792.db2.gz ZZNZQIHQULOCAW-UHFFFAOYSA-N 0 0 305.805 4.076 20 10 DICDRN O=C(CSc1nccs1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000863295117 1049553946 /nfs/dbraw/zinc/55/39/46/1049553946.db2.gz MBULFLCJHOFSSS-DTWKUNHWSA-N 0 0 309.378 4.173 20 10 DICDRN Cc1cc(CN(C)c2ccc(OCc3ccccc3)cc2)ncn1 ZINC000794513275 1049555324 /nfs/dbraw/zinc/55/53/24/1049555324.db2.gz LKYNGVYRDGTXND-UHFFFAOYSA-N 0 0 319.408 4.000 20 10 DICDRN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001182053724 1049566109 /nfs/dbraw/zinc/56/61/09/1049566109.db2.gz PUPVHGLSPSGPBK-DVOMOZLQSA-N 0 0 317.379 4.437 20 10 DICDRN COc1cc(NCc2cc(Cl)c(C)cc2O)cc(OC)c1C ZINC001182088558 1049573374 /nfs/dbraw/zinc/57/33/74/1049573374.db2.gz UYUZSHFUYRHJKU-UHFFFAOYSA-N 0 0 321.804 4.292 20 10 DICDRN COc1ccc(N(C)C[C@H]2[C@H](c3ccccc3)C2(F)F)cc1 ZINC001195818483 1049573953 /nfs/dbraw/zinc/57/39/53/1049573953.db2.gz CGDIUQRSWLNCGS-IRXDYDNUSA-N 0 0 303.352 4.180 20 10 DICDRN COc1ccc2c(c1)CCCCN2Cc1ccc(F)c(OC)c1 ZINC001182159624 1049580191 /nfs/dbraw/zinc/58/01/91/1049580191.db2.gz ACYMEROPATZLSL-UHFFFAOYSA-N 0 0 315.388 4.186 20 10 DICDRN COc1ccc2c(c1)CCCCN2Cc1ccc(F)c(F)c1F ZINC001182161107 1049580322 /nfs/dbraw/zinc/58/03/22/1049580322.db2.gz NNXAUOHPHPAYML-UHFFFAOYSA-N 0 0 321.342 4.455 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cccn1C(F)F ZINC001182196770 1049589013 /nfs/dbraw/zinc/58/90/13/1049589013.db2.gz WFUCHHHMURCYNA-UHFFFAOYSA-N 0 0 321.154 4.185 20 10 DICDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000775679167 1049603254 /nfs/dbraw/zinc/60/32/54/1049603254.db2.gz PHBMECFOSKDMQN-KRWDZBQOSA-N 0 0 317.816 4.009 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=S)NC(C)(C)CC)cc1 ZINC000774155266 1049612474 /nfs/dbraw/zinc/61/24/74/1049612474.db2.gz GPWHYJAMJTVDDG-UHFFFAOYSA-N 0 0 321.534 4.028 20 10 DICDRN COc1ccc(N(C)Cc2ccc(Cl)cc2C)cc1OC ZINC000864007414 1049615199 /nfs/dbraw/zinc/61/51/99/1049615199.db2.gz IJIWMLKNSMXNRL-UHFFFAOYSA-N 0 0 305.805 4.302 20 10 DICDRN CCc1cc(C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])on1 ZINC000774198399 1049621712 /nfs/dbraw/zinc/62/17/12/1049621712.db2.gz PLYZLCRMVXUTDN-QMMMGPOBSA-N 0 0 315.200 4.100 20 10 DICDRN CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774199551 1049622099 /nfs/dbraw/zinc/62/20/99/1049622099.db2.gz CZJCCLVBIWWLQV-GARJFASQSA-N 0 0 320.260 4.147 20 10 DICDRN CN(Cc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCO2 ZINC000864020729 1049626507 /nfs/dbraw/zinc/62/65/07/1049626507.db2.gz URESNJIDTJMNPW-UHFFFAOYSA-N 0 0 309.287 4.071 20 10 DICDRN C[C@@H]1C[C@@H](Nc2cc(F)cc(N(C)C)c2)c2c1c(F)ccc2O ZINC000864024685 1049627839 /nfs/dbraw/zinc/62/78/39/1049627839.db2.gz FQPZAVPPNCGVIS-MEBBXXQBSA-N 0 0 318.367 4.397 20 10 DICDRN C[C@@H]1C[C@H](Nc2cc(F)cc(N(C)C)c2)c2c1c(F)ccc2O ZINC000864024683 1049628063 /nfs/dbraw/zinc/62/80/63/1049628063.db2.gz FQPZAVPPNCGVIS-BMIGLBTASA-N 0 0 318.367 4.397 20 10 DICDRN Cc1ccc([C@@H](C)Nc2cc(F)cc(N(C)C)c2)c(O)c1C ZINC000864025425 1049628972 /nfs/dbraw/zinc/62/89/72/1049628972.db2.gz RDXOAIBVLALPOS-CYBMUJFWSA-N 0 0 302.393 4.387 20 10 DICDRN OCc1cc2cc(NCc3ccc4ccccc4c3O)ccc2o1 ZINC000864040299 1049634619 /nfs/dbraw/zinc/63/46/19/1049634619.db2.gz ABLFDFFKFGVGEZ-UHFFFAOYSA-N 0 0 319.360 4.396 20 10 DICDRN O=C(/C=C\c1cccnc1)N(Cc1ccccc1)c1ccccc1 ZINC000864047149 1049636711 /nfs/dbraw/zinc/63/67/11/1049636711.db2.gz XETSEUIVRBRGAT-YPKPFQOOSA-N 0 0 314.388 4.328 20 10 DICDRN C[C@@H]([NH2+]CC1(C)CCOCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774259695 1049638395 /nfs/dbraw/zinc/63/83/95/1049638395.db2.gz KKAZZDWDQOBWRC-SNVBAGLBSA-N 0 0 318.244 4.166 20 10 DICDRN CC[C@@H](CSC)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774272077 1049641257 /nfs/dbraw/zinc/64/12/57/1049641257.db2.gz MXYIXOFSZORTBX-IUCAKERBSA-N 0 0 308.274 4.491 20 10 DICDRN Cc1nn(C)c(C)c1N[C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774313825 1049647050 /nfs/dbraw/zinc/64/70/50/1049647050.db2.gz KTBLNPHAVUNXPN-SSDOTTSWSA-N 0 0 314.216 4.222 20 10 DICDRN CCC[N@H+](Cc1cccc(Cl)c1[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000775715971 1049656459 /nfs/dbraw/zinc/65/64/59/1049656459.db2.gz NGRJJBHGIZJJHL-XKQJLSEDSA-N 0 0 323.864 4.071 20 10 DICDRN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)c1ncc(C(C)(C)C)o1 ZINC000774485869 1049673579 /nfs/dbraw/zinc/67/35/79/1049673579.db2.gz UZORUWIPGGKJOA-ZIAGYGMSSA-N 0 0 315.461 4.450 20 10 DICDRN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1nc2ccccc2o1 ZINC000774486638 1049675356 /nfs/dbraw/zinc/67/53/56/1049675356.db2.gz WQFARKSEJDQSLT-KBPBESRZSA-N 0 0 309.413 4.306 20 10 DICDRN COCc1ccc(N[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)cc1 ZINC000774486561 1049675685 /nfs/dbraw/zinc/67/56/85/1049675685.db2.gz TWFZFMVWVYRVPO-IAQYHMDHSA-N 0 0 301.361 4.338 20 10 DICDRN COCc1ccc(N[C@H]2C[C@H](C)c3c2c(O)ccc3F)cc1 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C[C@@H]([NH2+]C[C@@H]1CCSC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000790498488 1050965626 /nfs/dbraw/zinc/96/56/26/1050965626.db2.gz ZGOBRKKZDGUQPB-BDAKNGLRSA-N 0 0 306.258 4.103 20 10 DICDRN CO[C@@H]1CCOc2c(N[C@@H](C)c3ccc(C)cc3O)cccc21 ZINC000790500203 1050967518 /nfs/dbraw/zinc/96/75/18/1050967518.db2.gz NZHUYFJMBPNOIW-SCLBCKFNSA-N 0 0 313.397 4.344 20 10 DICDRN COc1c(F)cc(N(C)c2ccc(N)cc2)cc1C(F)(F)F ZINC001214641575 1050969814 /nfs/dbraw/zinc/96/98/14/1050969814.db2.gz QMORAZJLIFNTFA-UHFFFAOYSA-N 0 0 314.282 4.203 20 10 DICDRN CCCCN(C(=O)c1cccc(O)c1O)[C@@H](C)c1ccc(C)o1 ZINC000790597358 1050975788 /nfs/dbraw/zinc/97/57/88/1050975788.db2.gz OHWJDSWDYRALCV-ZDUSSCGKSA-N 0 0 317.385 4.003 20 10 DICDRN O=C(c1cccc(O)c1O)N1CCC[C@@H]1CCC1CCCCC1 ZINC000790892563 1051003609 /nfs/dbraw/zinc/00/36/09/1051003609.db2.gz BMSDNRRRXZLCDI-OAHLLOKOSA-N 0 0 317.429 4.063 20 10 DICDRN COc1ccc(N(C)Cc2ncc(C(C)(C)C)s2)cc1OC ZINC000790923581 1051006040 /nfs/dbraw/zinc/00/60/40/1051006040.db2.gz 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ZINC000790988005 1051013393 /nfs/dbraw/zinc/01/33/93/1051013393.db2.gz KRFZYRGYQMAJDX-UHFFFAOYSA-N 0 0 318.150 4.267 20 10 DICDRN CSCCCCCC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790985837 1051013618 /nfs/dbraw/zinc/01/36/18/1051013618.db2.gz FUTZAGBGYXLQGM-UHFFFAOYSA-N 0 0 305.846 4.198 20 10 DICDRN CC1([NH2+]Cc2c([O-])ccc(Cl)c2F)CCC(F)(F)CC1 ZINC000790986269 1051013960 /nfs/dbraw/zinc/01/39/60/1051013960.db2.gz LNLGKHCJTYSEKB-UHFFFAOYSA-N 0 0 307.743 4.242 20 10 DICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000790996517 1051014914 /nfs/dbraw/zinc/01/49/14/1051014914.db2.gz YCTBRXKSGDPPGD-UHFFFAOYSA-N 0 0 305.780 4.352 20 10 DICDRN C[C@H](NC(=O)c1ccc(F)cc1Cl)c1ccc(N(C)C)cc1 ZINC000773004844 1051017641 /nfs/dbraw/zinc/01/76/41/1051017641.db2.gz BCKDVZAQWVLMCN-NSHDSACASA-N 0 0 320.795 4.036 20 10 DICDRN CC1(C)Oc2ccc(NCc3c(O)ccc(Cl)c3F)cc2O1 ZINC000790976353 1051018230 /nfs/dbraw/zinc/01/82/30/1051018230.db2.gz NGKPVXGXBUVYHW-UHFFFAOYSA-N 0 0 323.751 4.304 20 10 DICDRN C[C@@H](NC(=O)[C@@H](C)CC1CCCC1)c1ccc(N(C)C)cc1 ZINC000773008868 1051019720 /nfs/dbraw/zinc/01/97/20/1051019720.db2.gz OJZZSIJPUICHMZ-LSDHHAIUSA-N 0 0 302.462 4.146 20 10 DICDRN C[C@H](NC(=O)[C@@H]1CCCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000773013505 1051020860 /nfs/dbraw/zinc/02/08/60/1051020860.db2.gz ZAPBRAZJXBMDHH-MGPUTAFESA-N 0 0 322.452 4.050 20 10 DICDRN C[C@H](NC(=O)[C@@H](c1ccccc1)C1CC1)c1ccc(N(C)C)cc1 ZINC000773010473 1051021835 /nfs/dbraw/zinc/02/18/35/1051021835.db2.gz AJMUCUJUQWINSS-YWZLYKJASA-N 0 0 322.452 4.124 20 10 DICDRN Cc1ccccc1[C@H](C)CC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773020901 1051026178 /nfs/dbraw/zinc/02/61/78/1051026178.db2.gz YAGRAQQXVHNFJH-IAGOWNOFSA-N 0 0 324.468 4.432 20 10 DICDRN C[C@H](NC(=O)c1cc(Cl)ccc1F)c1ccc(N(C)C)cc1 ZINC000773021020 1051026272 /nfs/dbraw/zinc/02/62/72/1051026272.db2.gz QPDDXESFALEVFD-NSHDSACASA-N 0 0 320.795 4.036 20 10 DICDRN C[C@@H]1CCCC[C@H]1CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743719392 1051057815 /nfs/dbraw/zinc/05/78/15/1051057815.db2.gz WHZRXZINUPFVGK-ZBFHGGJFSA-N 0 0 315.457 4.104 20 10 DICDRN C[C@H]1CCC[C@@H](CC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000743719855 1051059970 /nfs/dbraw/zinc/05/99/70/1051059970.db2.gz XGGPNSCPPGXRPA-LSDHHAIUSA-N 0 0 315.457 4.104 20 10 DICDRN CC(C)(C)CCCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743719648 1051060163 /nfs/dbraw/zinc/06/01/63/1051060163.db2.gz NABCTTPAYVOHQE-UHFFFAOYSA-N 0 0 303.446 4.104 20 10 DICDRN Cc1cc(NC(=O)C2=CC(=O)CS2)ccc1C(F)(F)F ZINC000743748862 1051060213 /nfs/dbraw/zinc/06/02/13/1051060213.db2.gz RASKGCDWZRYQGJ-UHFFFAOYSA-N 0 0 301.289 4.033 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)Cc1ccncc1Cl ZINC000743841440 1051069679 /nfs/dbraw/zinc/06/96/79/1051069679.db2.gz LUWFCWHCBFFNFE-UHFFFAOYSA-N 0 0 317.864 4.212 20 10 DICDRN Oc1cc2ccccc2cc1CNc1c(Cl)cnnc1Cl ZINC001171399101 1051084862 /nfs/dbraw/zinc/08/48/62/1051084862.db2.gz CFUCUMWTEJNXMK-UHFFFAOYSA-N 0 0 320.179 4.254 20 10 DICDRN Cc1csc2c1ncnc2NCc1cc2ccccc2cc1O ZINC001171399070 1051085306 /nfs/dbraw/zinc/08/53/06/1051085306.db2.gz ARAVYJACYNULOE-UHFFFAOYSA-N 0 0 321.405 4.471 20 10 DICDRN Cn1ccc2ccnc(NCc3cc4ccccc4cc3O)c21 ZINC001171401920 1051088359 /nfs/dbraw/zinc/08/83/59/1051088359.db2.gz AYQCUQGFRUKDJW-UHFFFAOYSA-N 0 0 303.365 4.044 20 10 DICDRN Oc1cc2ccccc2cc1CNc1ccc(C2CCC2)nn1 ZINC001171402429 1051088781 /nfs/dbraw/zinc/08/87/81/1051088781.db2.gz LAOPLVJPCFMCAP-UHFFFAOYSA-N 0 0 305.381 4.215 20 10 DICDRN Cc1cc(NCc2cc3ccccc3cc2O)c2nccn2c1 ZINC001171404360 1051090717 /nfs/dbraw/zinc/09/07/17/1051090717.db2.gz BAYBVPNZQISKGH-UHFFFAOYSA-N 0 0 303.365 4.114 20 10 DICDRN CC(C)(C)c1ncncc1NCc1cc2ccccc2cc1O ZINC001171406971 1051093638 /nfs/dbraw/zinc/09/36/38/1051093638.db2.gz HZHKFGRECVJVKJ-UHFFFAOYSA-N 0 0 307.397 4.245 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCc1cccc(F)c1 ZINC000036778656 1051095395 /nfs/dbraw/zinc/09/53/95/1051095395.db2.gz NLRARCVACFYYLD-UHFFFAOYSA-N 0 0 314.187 4.170 20 10 DICDRN Nc1cnc2c(cccc2NCc2cc3ccccc3cc2O)c1 ZINC001171407735 1051095937 /nfs/dbraw/zinc/09/59/37/1051095937.db2.gz WEDHKQCDEJOKNA-UHFFFAOYSA-N 0 0 315.376 4.288 20 10 DICDRN Clc1ccc(C2=CCN(c3ccncc3Cl)CC2)cn1 ZINC000773246691 1051119254 /nfs/dbraw/zinc/11/92/54/1051119254.db2.gz BCNDOKBXFAUNGR-UHFFFAOYSA-N 0 0 306.196 4.077 20 10 DICDRN C[C@@H](Nc1cccc(F)c1)c1ccc(Br)cc1O ZINC000756795768 1051130232 /nfs/dbraw/zinc/13/02/32/1051130232.db2.gz LTBGSPODWTWPHY-SECBINFHSA-N 0 0 310.166 4.467 20 10 DICDRN CCOCCCCOC(=O)c1sccc1-n1c(C)ccc1C ZINC000744205703 1051132570 /nfs/dbraw/zinc/13/25/70/1051132570.db2.gz QKTMMOZRRVPVFE-UHFFFAOYSA-N 0 0 321.442 4.129 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1OC)c1ccc(F)cc1[O-] ZINC000796695875 1051132949 /nfs/dbraw/zinc/13/29/49/1051132949.db2.gz PZRGKPIQEFIGBW-ZBEGNZNMSA-N 0 0 321.367 4.481 20 10 DICDRN COc1ccc(N(Cc2cccc(Cl)n2)CC(C)C)cc1 ZINC000744394228 1051170084 /nfs/dbraw/zinc/17/00/84/1051170084.db2.gz DJGPSEIWXPKWAR-UHFFFAOYSA-N 0 0 304.821 4.406 20 10 DICDRN CCC(C)(C)CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000744461371 1051176212 /nfs/dbraw/zinc/17/62/12/1051176212.db2.gz AVDWGTNCHAGNIC-UHFFFAOYSA-N 0 0 302.462 4.070 20 10 DICDRN C/C(=C\C(=O)N[C@H](C)c1ccccc1O)c1cccc(Cl)c1 ZINC001171722916 1051199224 /nfs/dbraw/zinc/19/92/24/1051199224.db2.gz GHDPQXHLDFTWAY-RSKUSDAESA-N 0 0 315.800 4.326 20 10 DICDRN Cc1cccc2cc(C(=O)N[C@@H](C)c3ccccc3O)sc21 ZINC001171729725 1051201442 /nfs/dbraw/zinc/20/14/42/1051201442.db2.gz GWNMKICWBXVZPM-LBPRGKRZSA-N 0 0 311.406 4.406 20 10 DICDRN C[C@H](NC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C)c1ccccc1O ZINC001171730039 1051202613 /nfs/dbraw/zinc/20/26/13/1051202613.db2.gz ISUAQZLSGYAEDH-VHSSKADRSA-N 0 0 309.409 4.009 20 10 DICDRN COc1ccc(N(Cc2ccnc(Cl)c2)CC2CC2)cc1 ZINC001170409683 1051203655 /nfs/dbraw/zinc/20/36/55/1051203655.db2.gz ABSCQQRLCMRXKZ-UHFFFAOYSA-N 0 0 302.805 4.160 20 10 DICDRN COc1ccc(N(C)Cc2cc(F)ccc2OC(F)F)cc1 ZINC001171745845 1051205188 /nfs/dbraw/zinc/20/51/88/1051205188.db2.gz DSAPMKHQUNNVDU-UHFFFAOYSA-N 0 0 311.303 4.072 20 10 DICDRN Nc1ccc(Nc2ccc3cnn([C@H]4CCCCO4)c3c2)cc1 ZINC001215564227 1051246120 /nfs/dbraw/zinc/24/61/20/1051246120.db2.gz OURCYWMGLYLRGO-GOSISDBHSA-N 0 0 308.385 4.061 20 10 DICDRN CCC[C@@](C)(CC)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000793245247 1051273377 /nfs/dbraw/zinc/27/33/77/1051273377.db2.gz LELFVZRIUKPMFA-LJQANCHMSA-N 0 0 304.478 4.318 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000793309121 1051278931 /nfs/dbraw/zinc/27/89/31/1051278931.db2.gz KXIIMXZUSFPBEI-MRXNPFEDSA-N 0 0 305.780 4.352 20 10 DICDRN CC[C@H](C)[C@@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000745771405 1051288513 /nfs/dbraw/zinc/28/85/13/1051288513.db2.gz ABBUJHBAQXHODU-JKSUJKDBSA-N 0 0 319.493 4.107 20 10 DICDRN CCOc1ccc(O)c(CNc2cc(OC)c(C)cc2C)c1 ZINC000793390728 1051296286 /nfs/dbraw/zinc/29/62/86/1051296286.db2.gz PRIKYLONJIUJNL-UHFFFAOYSA-N 0 0 301.386 4.028 20 10 DICDRN CC(C)Oc1c(F)cc(F)c(Nc2cccc(O)c2O)c1F ZINC001212645443 1051314158 /nfs/dbraw/zinc/31/41/58/1051314158.db2.gz XSBRFHOMTICUBU-UHFFFAOYSA-N 0 0 313.275 4.046 20 10 DICDRN COc1ccc(N(C)Cc2cnc(C(C)(C)C)nc2)cc1Cl ZINC000793586209 1051323662 /nfs/dbraw/zinc/32/36/62/1051323662.db2.gz GOYOGZDOVSRRAS-UHFFFAOYSA-N 0 0 319.836 4.073 20 10 DICDRN CCCCc1noc(CN(CC(C)C)c2ccc(OC)cc2)n1 ZINC000746169874 1051334828 /nfs/dbraw/zinc/33/48/28/1051334828.db2.gz CHHNYEZZFSXBRL-UHFFFAOYSA-N 0 0 317.433 4.083 20 10 DICDRN CCCCC1CCC(C(=O)NCc2ccc(OC)cc2O)CC1 ZINC000794382442 1051373139 /nfs/dbraw/zinc/37/31/39/1051373139.db2.gz XBEJYYUEMNOYTH-UHFFFAOYSA-N 0 0 319.445 4.014 20 10 DICDRN CCCOc1cncc(NCc2c(O)cc(C)cc2Cl)c1 ZINC001203181386 1051416403 /nfs/dbraw/zinc/41/64/03/1051416403.db2.gz WLSWMIDPYABUBO-UHFFFAOYSA-N 0 0 306.793 4.150 20 10 DICDRN COc1cc(NCc2cc(Cl)ccc2O)ccc1OC(C)C ZINC000766468032 1051427900 /nfs/dbraw/zinc/42/79/00/1051427900.db2.gz XUHYOBKIMFJHDY-UHFFFAOYSA-N 0 0 321.804 4.454 20 10 DICDRN Nc1ccc(NC(=O)c2ccccc2SC(F)(F)F)cc1 ZINC000746478614 1051436024 /nfs/dbraw/zinc/43/60/24/1051436024.db2.gz GTGLACCGBWFLEQ-UHFFFAOYSA-N 0 0 312.316 4.133 20 10 DICDRN C[C@H](c1ccc(Cl)cc1)N1CCOc2cc(N(C)C)ccc21 ZINC001168860347 1051454301 /nfs/dbraw/zinc/45/43/01/1051454301.db2.gz XQWLSPZFAKYOLE-CYBMUJFWSA-N 0 0 316.832 4.366 20 10 DICDRN Cc1ccc(C)c(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC001129813992 1051530984 /nfs/dbraw/zinc/53/09/84/1051530984.db2.gz AWBQXXZZBPDCEM-KRWDZBQOSA-N 0 0 324.468 4.039 20 10 DICDRN Cc1ccc(-c2noc(-c3nnsc3C(C)C)n2)cc1Cl ZINC001212687204 1051531647 /nfs/dbraw/zinc/53/16/47/1051531647.db2.gz HIOISYYRCIUURE-UHFFFAOYSA-N 0 0 320.805 4.340 20 10 DICDRN Cc1cc(-c2noc(-c3nnsc3C(C)C)n2)cc(C)c1F ZINC001212687565 1051534367 /nfs/dbraw/zinc/53/43/67/1051534367.db2.gz ZWXBBVYTBVTDQQ-UHFFFAOYSA-N 0 0 318.377 4.134 20 10 DICDRN CC(C)Oc1ccc(N(C)C[C@H](O)[C@H](C)c2ccccc2)cc1 ZINC001169253480 1051564404 /nfs/dbraw/zinc/56/44/04/1051564404.db2.gz UWDPKBHAIWXGFS-UZLBHIALSA-N 0 0 313.441 4.075 20 10 DICDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C[C@H](C)CC(C)C ZINC001129974432 1051582065 /nfs/dbraw/zinc/58/20/65/1051582065.db2.gz PGUGQBPGJHQOFD-NVXWUHKLSA-N 0 0 318.505 4.181 20 10 DICDRN CC(C)[C@H](CC(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000103190099 1051587420 /nfs/dbraw/zinc/58/74/20/1051587420.db2.gz BIGOJFBKSVHURD-SFHVURJKSA-N 0 0 311.425 4.181 20 10 DICDRN Cc1cc(-c2ccccc2)ccc1N(CCO)c1ccc(N)cc1 ZINC001216196740 1051626688 /nfs/dbraw/zinc/62/66/88/1051626688.db2.gz IFKJLUZGWHCEAE-UHFFFAOYSA-N 0 0 318.420 4.375 20 10 DICDRN CC[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)c3cccnc3c2[O-])C1 ZINC001173263090 1051663978 /nfs/dbraw/zinc/66/39/78/1051663978.db2.gz IMCYCGDHBIEXIS-WCQYABFASA-N 0 0 304.821 4.262 20 10 DICDRN Cc1cc(Cl)ncc1Nc1nc(-c2ccncc2)cs1 ZINC001216277279 1051670659 /nfs/dbraw/zinc/67/06/59/1051670659.db2.gz YCQYQVNQMCNHJO-UHFFFAOYSA-N 0 0 302.790 4.306 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CC23CCCC3)cc1 ZINC000747294961 1051711857 /nfs/dbraw/zinc/71/18/57/1051711857.db2.gz QXHXQULLVLBXHD-GOSISDBHSA-N 0 0 314.473 4.072 20 10 DICDRN CC[C@H]([NH2+]CCOC1CCCCC1)c1cccc(Cl)c1[O-] ZINC000806133696 1051733466 /nfs/dbraw/zinc/73/34/66/1051733466.db2.gz CCOZYOGSMDJLIH-INIZCTEOSA-N 0 0 311.853 4.436 20 10 DICDRN CC[C@H]([NH2+]C[C@@H](O)c1ccc(C)cc1)c1cccc(Cl)c1[O-] ZINC000806133267 1051734478 /nfs/dbraw/zinc/73/44/78/1051734478.db2.gz KQGBNRWQXYHCBN-DLBZAZTESA-N 0 0 319.832 4.128 20 10 DICDRN CC[C@H]([NH2+]CCc1ccc(O)cc1)c1cccc(Cl)c1[O-] ZINC000806134413 1051735805 /nfs/dbraw/zinc/73/58/05/1051735805.db2.gz KQCYBADIQZXIBG-INIZCTEOSA-N 0 0 305.805 4.035 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)c1cccc(Cl)c1[O-] ZINC000806137229 1051736680 /nfs/dbraw/zinc/73/66/80/1051736680.db2.gz HWLVIRNMXSLTLX-SUMWQHHRSA-N 0 0 301.817 4.426 20 10 DICDRN CC[C@@H]([NH2+]Cc1c(C)nn(CC)c1C)c1cccc(Cl)c1[O-] ZINC000806137861 1051737913 /nfs/dbraw/zinc/73/79/13/1051737913.db2.gz SSJGLVYOLSDWMJ-MRXNPFEDSA-N 0 0 321.852 4.120 20 10 DICDRN CC[C@H]([NH2+][C@@H]1COc2ccccc2C1)c1cccc(Cl)c1[O-] ZINC000806136571 1051737981 /nfs/dbraw/zinc/73/79/81/1051737981.db2.gz ZOTCYMDZFQLLDY-BBRMVZONSA-N 0 0 317.816 4.090 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1C)c1cccc(Cl)c1[O-] ZINC000806138993 1051739204 /nfs/dbraw/zinc/73/92/04/1051739204.db2.gz GNNOKAYTHZKLLR-IAGOWNOFSA-N 0 0 319.832 4.128 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)CCOC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806138249 1051739430 /nfs/dbraw/zinc/73/94/30/1051739430.db2.gz XNPRRVLOWPZZEH-ZANVPECISA-N 0 0 306.233 4.165 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)c1c(C)noc1C)c1cccc(Cl)c1[O-] ZINC000806139036 1051739682 /nfs/dbraw/zinc/73/96/82/1051739682.db2.gz HOHACWMMQPCDTJ-XPTSAGLGSA-N 0 0 308.809 4.452 20 10 DICDRN CC[C@@H]([NH2+]C[C@]1(C)CCOC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806139514 1051742281 /nfs/dbraw/zinc/74/22/81/1051742281.db2.gz OXAJIRPPJWQIHG-HIFRSBDPSA-N 0 0 318.244 4.166 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1cccc(Cl)c1[O-] ZINC000806130304 1051743671 /nfs/dbraw/zinc/74/36/71/1051743671.db2.gz VDODVMDWSKOIBX-XJKSGUPXSA-N 0 0 317.816 4.090 20 10 DICDRN CN(C)c1ccc(CN(C)C(=O)c2cccc3ccsc32)cc1 ZINC000767044207 1051747574 /nfs/dbraw/zinc/74/75/74/1051747574.db2.gz JWNOHIHTWMXQIN-UHFFFAOYSA-N 0 0 324.449 4.240 20 10 DICDRN CC[C@@H]([NH2+][C@H](CC)C1CCOCC1)c1cccc(Cl)c1[O-] ZINC000806140922 1051747841 /nfs/dbraw/zinc/74/78/41/1051747841.db2.gz DOTYMEGFKLRTHZ-HZPDHXFCSA-N 0 0 311.853 4.292 20 10 DICDRN CC[C@@H]([NH2+][C@@H](CC)c1cccc(Cl)c1[O-])C1CCOCC1 ZINC000806140919 1051748690 /nfs/dbraw/zinc/74/86/90/1051748690.db2.gz DOTYMEGFKLRTHZ-CVEARBPZSA-N 0 0 311.853 4.292 20 10 DICDRN CC[C@@H]([NH2+]CC1(O)CCCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806140524 1051748776 /nfs/dbraw/zinc/74/87/76/1051748776.db2.gz YAZQEDBKOHPIQZ-CYBMUJFWSA-N 0 0 318.244 4.045 20 10 DICDRN CC[C@H]([NH2+]CCNc1ccccc1)c1cccc(Cl)c1[O-] ZINC000806142652 1051750932 /nfs/dbraw/zinc/75/09/32/1051750932.db2.gz FPKNHKFJLOEVMR-INIZCTEOSA-N 0 0 304.821 4.198 20 10 DICDRN CC[C@H]([NH2+][C@H](C)CSC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806141832 1051751275 /nfs/dbraw/zinc/75/12/75/1051751275.db2.gz WYMFBFWEBZWSET-PELKAZGASA-N 0 0 308.274 4.491 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc(OC)cc1F)c1cccc(Cl)c1[O-] ZINC000806146544 1051752212 /nfs/dbraw/zinc/75/22/12/1051752212.db2.gz BWDQJGOSRCQZGH-INIZCTEOSA-N 0 0 323.795 4.434 20 10 DICDRN CC[C@H]([NH2+][C@H](C)C[C@H](O)c1ccco1)c1cccc(Cl)c1[O-] ZINC000806143805 1051752378 /nfs/dbraw/zinc/75/23/78/1051752378.db2.gz QKROVSURWQNLMC-UGFHNGPFSA-N 0 0 323.820 4.192 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H](CC)CCO)c1cc(Cl)cc(Cl)c1[O-] ZINC000806144842 1051752445 /nfs/dbraw/zinc/75/24/45/1051752445.db2.gz VZUVJVORBGEPJS-IINYFYTJSA-N 0 0 320.260 4.148 20 10 DICDRN CC[C@@H](O)CCC[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806147042 1051752456 /nfs/dbraw/zinc/75/24/56/1051752456.db2.gz FOMGCAUIZURHGI-RISCZKNCSA-N 0 0 320.260 4.291 20 10 DICDRN CCc1noc(CC)c1C[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000806144805 1051752810 /nfs/dbraw/zinc/75/28/10/1051752810.db2.gz VRRFBDZXJVIDRY-AWEZNQCLSA-N 0 0 322.836 4.399 20 10 DICDRN CC[C@H]([NH2+]CC1CCC(OC)CC1)c1cccc(Cl)c1[O-] ZINC000806143899 1051753180 /nfs/dbraw/zinc/75/31/80/1051753180.db2.gz NEIIVOYEDSTHNY-ZUEPYMLJSA-N 0 0 311.853 4.292 20 10 DICDRN CC[C@@H]([NH2+]CCc1cnc(C)s1)c1cccc(Cl)c1[O-] ZINC000806149055 1051754043 /nfs/dbraw/zinc/75/40/43/1051754043.db2.gz OYJVVCNGWWPYOM-CQSZACIVSA-N 0 0 310.850 4.094 20 10 DICDRN Cc1oc2ccccc2c1C(=O)NCc1ccc(N(C)C)cc1C ZINC000767077336 1051754170 /nfs/dbraw/zinc/75/41/70/1051754170.db2.gz NOSOGZHKUIALOF-UHFFFAOYSA-N 0 0 322.408 4.046 20 10 DICDRN CC[C@H]([NH2+][C@H](CO)C1CCCCC1)c1cccc(Cl)c1[O-] ZINC000806147548 1051754756 /nfs/dbraw/zinc/75/47/56/1051754756.db2.gz KIQBYPIIBGMWAM-JKSUJKDBSA-N 0 0 311.853 4.028 20 10 DICDRN CC[C@H]([NH2+]CC1(CO)CCCCC1)c1cccc(Cl)c1[O-] ZINC000806147499 1051755642 /nfs/dbraw/zinc/75/56/42/1051755642.db2.gz JYRCBODPSUGDNI-HNNXBMFYSA-N 0 0 311.853 4.029 20 10 DICDRN COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)C2CCCCC2)c1 ZINC000767085657 1051757765 /nfs/dbraw/zinc/75/77/65/1051757765.db2.gz BQUSXCHSUYGJJP-ZDUSSCGKSA-N 0 0 319.445 4.185 20 10 DICDRN O=C(c1ccncc1)c1ccccc1Nc1ccc(O)cc1Cl ZINC001216430423 1051762053 /nfs/dbraw/zinc/76/20/53/1051762053.db2.gz IQTZDINBLUTZSC-UHFFFAOYSA-N 0 0 324.767 4.415 20 10 DICDRN CC[C@H]([NH2+][C@H](C)c1ccncc1OC)c1cccc(Cl)c1[O-] ZINC000806161512 1051762478 /nfs/dbraw/zinc/76/24/78/1051762478.db2.gz QUEXQVKZNPGOPT-ABAIWWIYSA-N 0 0 320.820 4.251 20 10 DICDRN CC[C@H]([NH2+]C[C@H]1CCSC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806162645 1051765502 /nfs/dbraw/zinc/76/55/02/1051765502.db2.gz CFCLFWBQTIEOBH-RNCFNFMXSA-N 0 0 320.285 4.493 20 10 DICDRN C[C@@H]([NH2+][C@H]1CCC1(C)C)c1cc(Br)c(F)cc1[O-] ZINC000806168856 1051769353 /nfs/dbraw/zinc/76/93/53/1051769353.db2.gz DCFDVPWGDSWQJM-OQPBUACISA-N 0 0 316.214 4.133 20 10 DICDRN Oc1cccc(C[NH2+]C2CCC3(CCc4ccccc43)CC2)c1O ZINC001173684099 1051771787 /nfs/dbraw/zinc/77/17/87/1051771787.db2.gz BGLVKTJGEDTJRV-UHFFFAOYSA-N 0 0 323.436 4.014 20 10 DICDRN C[C@H]([NH2+]C[C@@H]1CCCSC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000806178445 1051773454 /nfs/dbraw/zinc/77/34/54/1051773454.db2.gz GGHVEGSTOQNLOQ-UWVGGRQHSA-N 0 0 320.285 4.493 20 10 DICDRN Cc1cc(CO)cc(Nc2ccc(Cc3ccc(N)cc3)cc2)c1 ZINC001212756694 1051801068 /nfs/dbraw/zinc/80/10/68/1051801068.db2.gz AOXRDKODDDIQFJ-UHFFFAOYSA-N 0 0 318.420 4.404 20 10 DICDRN Cn1c(-c2ccccc2)cnc1SCC[C@H](O)c1ccccc1 ZINC000806581043 1051814835 /nfs/dbraw/zinc/81/48/35/1051814835.db2.gz UNYPBKBCDCAUET-SFHVURJKSA-N 0 0 324.449 4.303 20 10 DICDRN C[C@@H](N[C@H](C)C(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000806661115 1051834365 /nfs/dbraw/zinc/83/43/65/1051834365.db2.gz XVENGUJSVHAJIO-CHWSQXEVSA-N 0 0 300.368 4.278 20 10 DICDRN CC[C@@H](N[C@H](C1CC1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000806662694 1051843389 /nfs/dbraw/zinc/84/33/89/1051843389.db2.gz OKADVCFVGJJFIX-HUUCEWRRSA-N 0 0 300.368 4.134 20 10 DICDRN CCN(CC)c1ccc(CNc2ccc(Cl)cn2)cc1F ZINC000742429597 1051862434 /nfs/dbraw/zinc/86/24/34/1051862434.db2.gz GTPDWBQZKWYIAA-UHFFFAOYSA-N 0 0 307.800 4.332 20 10 DICDRN Nc1ccc(N(CCO)c2cccc(-c3ccccc3)c2)cc1 ZINC001173910906 1051870312 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ZINC000769456062 1052058927 /nfs/dbraw/zinc/05/89/27/1052058927.db2.gz GSWALPYGDLYVNY-DYVFJYSZSA-N 0 0 315.388 4.123 20 10 DICDRN CC(C)OCCC[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000769463032 1052060161 /nfs/dbraw/zinc/06/01/61/1052060161.db2.gz LMRVWCFZDLGFHG-UHFFFAOYSA-N 0 0 313.441 4.306 20 10 DICDRN CC(=O)Nc1cccc(N[C@@H](C)c2cc(Cl)cc(C)c2O)c1 ZINC000808710019 1052073744 /nfs/dbraw/zinc/07/37/44/1052073744.db2.gz KTPFTEGETOMYLC-NSHDSACASA-N 0 0 318.804 4.486 20 10 DICDRN Cc1cc(Cl)cc([C@@H](C)Nc2ccc3c(c2)ncn3C)c1O ZINC000808714360 1052075806 /nfs/dbraw/zinc/07/58/06/1052075806.db2.gz VRLCZEQEQBLJJD-LLVKDONJSA-N 0 0 315.804 4.414 20 10 DICDRN Cc1cc(Cl)cc([C@@H](C)Nc2cnn(C)c2C2CC2)c1O ZINC000808715860 1052076024 /nfs/dbraw/zinc/07/60/24/1052076024.db2.gz XTQKJZHMLWCQCO-SNVBAGLBSA-N 0 0 305.809 4.138 20 10 DICDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000769560538 1052083562 /nfs/dbraw/zinc/08/35/62/1052083562.db2.gz VQOPMMKTRORAJH-LLVKDONJSA-N 0 0 323.770 4.313 20 10 DICDRN CCCC[C@H](CC)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000914484985 1052085475 /nfs/dbraw/zinc/08/54/75/1052085475.db2.gz RHYAYAHHYFBRTO-KRWDZBQOSA-N 0 0 316.489 4.460 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC23CCC3)cc1 ZINC000769662684 1052091315 /nfs/dbraw/zinc/09/13/15/1052091315.db2.gz GDYUGHYYDIVVKU-UHFFFAOYSA-N 0 0 308.425 4.253 20 10 DICDRN CCSc1cccc(/C=C2\SC(=S)N(CC)C2=O)c1 ZINC000769718371 1052097381 /nfs/dbraw/zinc/09/73/81/1052097381.db2.gz LEBVPUNLXUKAAX-XFXZXTDPSA-N 0 0 309.481 4.020 20 10 DICDRN CCN1C(=O)/C(=C\c2ccc(C(C)(C)C)s2)SC1=S ZINC000769776540 1052102770 /nfs/dbraw/zinc/10/27/70/1052102770.db2.gz LLCZMRNDUSFLAZ-CSKARUKUSA-N 0 0 311.497 4.267 20 10 DICDRN Cn1cc(Nc2ccccc2C(=O)c2ccc(Cl)cc2)cn1 ZINC001174331655 1052103656 /nfs/dbraw/zinc/10/36/56/1052103656.db2.gz OXBNBKFYXKFXQD-UHFFFAOYSA-N 0 0 311.772 4.048 20 10 DICDRN C[C@H](Nc1cnn(C)c1C1CC1)c1ccc2ccccc2c1O ZINC000769979577 1052135661 /nfs/dbraw/zinc/13/56/61/1052135661.db2.gz HPXPGFNAHHEMMF-LBPRGKRZSA-N 0 0 307.397 4.329 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304.187 4.098 20 10 DICDRN Nc1ccc(OC2CC(c3ccc(Br)cc3)C2)cc1 ZINC001218343371 1052228811 /nfs/dbraw/zinc/22/88/11/1052228811.db2.gz YVUAEDIHJDPVGF-UHFFFAOYSA-N 0 0 318.214 4.356 20 10 DICDRN CCCc1cc(N=Nc2ccncc2)ccc1O[C@H]1C[C@H](O)C1 ZINC001218363891 1052230444 /nfs/dbraw/zinc/23/04/44/1052230444.db2.gz JWUWNVQWOSZIJH-QAQDUYKDSA-N 0 0 311.385 4.352 20 10 DICDRN CCN(C(=O)/C=C\c1cccnc1)c1cccc2ccccc21 ZINC000914745787 1052235980 /nfs/dbraw/zinc/23/59/80/1052235980.db2.gz SJFLUUJVKXIVBS-SEYXRHQNSA-N 0 0 302.377 4.301 20 10 DICDRN COc1c(Br)cccc1[C@H](C)Oc1ccc(N)cc1 ZINC001218483464 1052246176 /nfs/dbraw/zinc/24/61/76/1052246176.db2.gz OTTZWILBSPGMKV-JTQLQIEISA-N 0 0 322.202 4.180 20 10 DICDRN Cc1cc(C(=O)NCCC2=CCCCC2)c(C)n1-c1ccccn1 ZINC000914846907 1052267433 /nfs/dbraw/zinc/26/74/33/1052267433.db2.gz AGKCCGLPYLUZDO-UHFFFAOYSA-N 0 0 323.440 4.109 20 10 DICDRN Cc1cc(C(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccn1 ZINC000914845928 1052269733 /nfs/dbraw/zinc/26/97/33/1052269733.db2.gz 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C[C@@H](NC(=O)N[C@H]1c2ccccc2CC[C@@H]1C)c1ccccc1O ZINC001225012098 1052743311 /nfs/dbraw/zinc/74/33/11/1052743311.db2.gz DFNCJFLHRJDLRQ-IQUTYRLHSA-N 0 0 324.424 4.076 20 10 DICDRN CCOc1ccc(CNc2nc3ccccc3n2C2CC2)c(O)c1 ZINC000763424828 1052765149 /nfs/dbraw/zinc/76/51/49/1052765149.db2.gz GSRRTMDOZMVAJM-UHFFFAOYSA-N 0 0 323.396 4.088 20 10 DICDRN Cn1c(-c2ccccc2)cnc1SC[C@H]1CC1(Cl)Cl ZINC000918058054 1052776397 /nfs/dbraw/zinc/77/63/97/1052776397.db2.gz NZUCHOBUBBJVCH-LLVKDONJSA-N 0 0 313.253 4.373 20 10 DICDRN N#Cc1ccc(CN(Cc2ccco2)Cc2ccccc2O)s1 ZINC000154728160 1052797833 /nfs/dbraw/zinc/79/78/33/1052797833.db2.gz KSUVAORPVVPDJH-UHFFFAOYSA-N 0 0 324.405 4.121 20 10 DICDRN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2Nc1cccc(CCCO)c1 ZINC000322392283 1052884612 /nfs/dbraw/zinc/88/46/12/1052884612.db2.gz OXCADKWVPVJRBM-PBHICJAKSA-N 0 0 311.425 4.286 20 10 DICDRN Cc1cc(C(=O)N[C@H](C)C2CC2)c(C)n1-c1cccc(Cl)c1 ZINC000919974989 1052908050 /nfs/dbraw/zinc/90/80/50/1052908050.db2.gz GJEHMNYKVAIBRK-GFCCVEGCSA-N 0 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SCBPKZOXVKOWLF-ZDUSSCGKSA-N 0 0 314.381 4.142 20 10 DICDRN CCCC[C@H](C)Oc1c(O)c(O)ccc1C(=O)c1ccccc1 ZINC001227937284 1053030427 /nfs/dbraw/zinc/03/04/27/1053030427.db2.gz HPNOHGAJKDQYDP-ZDUSSCGKSA-N 0 0 314.381 4.286 20 10 DICDRN CCC[C@H](C(=O)N(CC)Cc1ccc(N(C)C)cc1)C(C)C ZINC000763478056 1053055360 /nfs/dbraw/zinc/05/53/60/1053055360.db2.gz JOJPYDRUMJOGDY-SFHVURJKSA-N 0 0 304.478 4.173 20 10 DICDRN C=C/C=C/CCNC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001313132941 1053083445 /nfs/dbraw/zinc/08/34/45/1053083445.db2.gz MQBHCISKPLQKRW-AATRIKPKSA-N 0 0 323.440 4.026 20 10 DICDRN CCN(CC)c1ccc(CNc2ccc(C(F)F)nc2)cc1 ZINC000849347274 1053089568 /nfs/dbraw/zinc/08/95/68/1053089568.db2.gz AIIXDPWFRRVWRO-UHFFFAOYSA-N 0 0 305.372 4.478 20 10 DICDRN CC[C@H]1CCCC[C@@H]1C(=O)NCc1ccc(N(CC)CC)cc1 ZINC001350864264 1053112899 /nfs/dbraw/zinc/11/28/99/1053112899.db2.gz HKXSJFDMQUYIKQ-HKUYNNGSSA-N 0 0 316.489 4.365 20 10 DICDRN CCC(F)(F)C(C)(C)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001474665318 1053124977 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ZINC001360273060 1053207775 /nfs/dbraw/zinc/20/77/75/1053207775.db2.gz AKHOIFPQOXUTRF-MRXNPFEDSA-N 0 0 304.478 4.140 20 10 DICDRN Cc1cc(N(C)C)ccc1CNC(=O)CCCCc1ccccc1 ZINC001360273413 1053209534 /nfs/dbraw/zinc/20/95/34/1053209534.db2.gz KLLUPTYTKNTODD-UHFFFAOYSA-N 0 0 324.468 4.090 20 10 DICDRN C[C@@H]1CCCC[C@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001351672134 1053209746 /nfs/dbraw/zinc/20/97/46/1053209746.db2.gz CPCBJZPWBQEQKK-VQIMIIECSA-N 0 0 314.473 4.072 20 10 DICDRN Cc1ccc(/C=C\C(=O)N(C)c2cc(Cl)cc(Cl)c2)cn1 ZINC001360337683 1053215366 /nfs/dbraw/zinc/21/53/66/1053215366.db2.gz MEWXSUVOLHLAJZ-WAYWQWQTSA-N 0 0 321.207 4.373 20 10 DICDRN COc1cc(NCc2c(C)c3ccccc3n2C)cc(OC)c1 ZINC000323768497 1053220702 /nfs/dbraw/zinc/22/07/02/1053220702.db2.gz XEHSAZYSYLDPEN-UHFFFAOYSA-N 0 0 310.397 4.116 20 10 DICDRN CC(C)C(=O)N1CC(Oc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC001229006480 1053223756 /nfs/dbraw/zinc/22/37/56/1053223756.db2.gz FTMMNYASHFFBSV-QZQOTICOSA-N 0 0 323.396 4.348 20 10 DICDRN Nc1cc(Nc2cccc3c2C(=O)c2ccccc2-3)ccc1F ZINC001212343399 1053230998 /nfs/dbraw/zinc/23/09/98/1053230998.db2.gz GHEIIKCWWKMEHL-UHFFFAOYSA-N 0 0 304.324 4.363 20 10 DICDRN Cc1nc(CN2CCCc3cc(OC(F)F)ccc32)sc1C ZINC000763498960 1053285823 /nfs/dbraw/zinc/28/58/23/1053285823.db2.gz GSSTYUIRPOBINT-UHFFFAOYSA-N 0 0 324.396 4.314 20 10 DICDRN CC[C@@H](Cc1ccc(C)cc1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC001474744313 1053292252 /nfs/dbraw/zinc/29/22/52/1053292252.db2.gz GBHKFDBPFNSFRX-INIZCTEOSA-N 0 0 303.833 4.465 20 10 DICDRN Cc1c(NCc2ccc(N3CCCC3)cc2)cnn1CC(C)C ZINC001320040782 1053297590 /nfs/dbraw/zinc/29/75/90/1053297590.db2.gz CWEDUFIMXOPIID-UHFFFAOYSA-N 0 0 312.461 4.060 20 10 DICDRN CCN(CC)c1ccc(CN(C)Cc2nc(C)sc2C)cc1 ZINC001320078378 1053301111 /nfs/dbraw/zinc/30/11/11/1053301111.db2.gz ZZBXIVAUTVSNOL-UHFFFAOYSA-N 0 0 317.502 4.238 20 10 DICDRN Cc1ccc(O)c2c1[C@@H](C)C[C@H]2Nc1ccc2c(c1)N(C)CCO2 ZINC001320131657 1053308447 /nfs/dbraw/zinc/30/84/47/1053308447.db2.gz FZWVRJMYQXIZOI-DZGCQCFKSA-N 0 0 324.424 4.190 20 10 DICDRN C[C@H](CON)Oc1ccc2ccccc2c1/N=N/c1ccccn1 ZINC001229451514 1053326064 /nfs/dbraw/zinc/32/60/64/1053326064.db2.gz UHEJOWHUYNSAAX-VIQONRLZSA-N 0 0 322.368 4.308 20 10 DICDRN CCCC1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC001320390177 1053328487 /nfs/dbraw/zinc/32/84/87/1053328487.db2.gz JRNGCVWSHGIWDW-HNNXBMFYSA-N 0 0 317.477 4.035 20 10 DICDRN C/C(=C\c1cccnc1)C(=O)N1CCCCCc2ccccc21 ZINC001361244719 1053344151 /nfs/dbraw/zinc/34/41/51/1053344151.db2.gz SFBRIGWLHMHVLQ-JQIJEIRASA-N 0 0 306.409 4.245 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCCC[C@H]2C)cc1 ZINC001352601240 1053365345 /nfs/dbraw/zinc/36/53/45/1053365345.db2.gz PZCWTCXLWHJWKR-AUUYWEPGSA-N 0 0 310.441 4.403 20 10 DICDRN Cc1cc(CC(=O)N2CC[C@@H](C)[C@H](C)C2)c(C)n1-c1ccccc1 ZINC001545801741 1053366025 /nfs/dbraw/zinc/36/60/25/1053366025.db2.gz CIVNWFGODIIKJG-HZPDHXFCSA-N 0 0 324.468 4.141 20 10 DICDRN Cc1cc(CC(=O)O[C@@H]2CC[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC001127674712 1053372564 /nfs/dbraw/zinc/37/25/64/1053372564.db2.gz BEWOTFZZCVVRMF-AUUYWEPGSA-N 0 0 311.425 4.368 20 10 DICDRN Cc1ncccc1/C=C/C(=O)N(Cc1ccco1)c1ccccc1 ZINC001352646782 1053376210 /nfs/dbraw/zinc/37/62/10/1053376210.db2.gz IPRPJCAYWVZIHH-VAWYXSNFSA-N 0 0 318.376 4.230 20 10 DICDRN CN(Cc1ccc(N2CCCC2)cc1)c1ccc2cc[nH]c2c1 ZINC001321074312 1053387739 /nfs/dbraw/zinc/38/77/39/1053387739.db2.gz IRDLABKVWWGWSR-UHFFFAOYSA-N 0 0 305.425 4.405 20 10 DICDRN Nc1ccc(CNC2(c3c(Cl)cccc3Cl)CC2)cc1 ZINC001352789228 1053408000 /nfs/dbraw/zinc/40/80/00/1053408000.db2.gz JGHZEDDCMQTZDP-UHFFFAOYSA-N 0 0 307.224 4.355 20 10 DICDRN Cc1cc(NCc2ccc(N3CCCC3)cc2)nc(C(C)C)n1 ZINC001352801539 1053409857 /nfs/dbraw/zinc/40/98/57/1053409857.db2.gz AVBVSFHIPGKOTG-UHFFFAOYSA-N 0 0 310.445 4.121 20 10 DICDRN CC[C@H]([NH2+]C[C@@H](OC)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC001321903471 1053441974 /nfs/dbraw/zinc/44/19/74/1053441974.db2.gz HOOCXAONAUPCPO-FUHWJXTLSA-N 0 0 321.367 4.099 20 10 DICDRN Cc1cc(-c2nnc(-c3cccnc3)o2)c(C)n1-c1ccccc1 ZINC001322017823 1053446983 /nfs/dbraw/zinc/44/69/83/1053446983.db2.gz DRHZANRLNPNZAE-UHFFFAOYSA-N 0 0 316.364 4.206 20 10 DICDRN Cc1cc(-c2nnc(-c3ncoc3C)o2)c(C)n1-c1ccccc1 ZINC001322151722 1053464874 /nfs/dbraw/zinc/46/48/74/1053464874.db2.gz UCZGUKBQHWVIOT-UHFFFAOYSA-N 0 0 320.352 4.108 20 10 DICDRN Cc1cc(-c2nnc([C@H]3CO[C@@H](C)C3)o2)c(C)n1-c1ccccc1 ZINC001322245840 1053471526 /nfs/dbraw/zinc/47/15/26/1053471526.db2.gz USWOGGMHQYMSNJ-DZGCQCFKSA-N 0 0 323.396 4.037 20 10 DICDRN Cc1cc(-c2nnc([C@H]3CO[C@H](C)C3)o2)c(C)n1-c1ccccc1 ZINC001322245918 1053472196 /nfs/dbraw/zinc/47/21/96/1053472196.db2.gz USWOGGMHQYMSNJ-UKRRQHHQSA-N 0 0 323.396 4.037 20 10 DICDRN Cc1ccc(N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000182673263 1053495766 /nfs/dbraw/zinc/49/57/66/1053495766.db2.gz BHHNUWBCSYLKDT-OAHLLOKOSA-N 0 0 314.404 4.144 20 10 DICDRN Cc1ccc(N(C)C(=O)/C=C\c2cccnc2C)cc1Cl ZINC001353173423 1053497242 /nfs/dbraw/zinc/49/72/42/1053497242.db2.gz RMYCLPQJPCEZJA-CLFYSBASSA-N 0 0 300.789 4.028 20 10 DICDRN Cc1ccncc1/C=C/C(=O)N1CCCCCc2ccccc21 ZINC001435314796 1053508519 /nfs/dbraw/zinc/50/85/19/1053508519.db2.gz IOZJVCWLJOAMDY-ZHACJKMWSA-N 0 0 306.409 4.163 20 10 DICDRN CC[C@@H](C)CNC(=S)Nc1cccc2c1C(=O)c1ccccc1-2 ZINC001200263142 1053508937 /nfs/dbraw/zinc/50/89/37/1053508937.db2.gz LTJXKOYSWQIVKB-GFCCVEGCSA-N 0 0 324.449 4.231 20 10 DICDRN CC[C@H]([NH2+][C@H]1CC[C@@H](OC)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC001322702142 1053536980 /nfs/dbraw/zinc/53/69/80/1053536980.db2.gz FCQIKZUXFKXNOC-WDMOLILDSA-N 0 0 318.244 4.307 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CC[C@H](OC)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC001322702141 1053537654 /nfs/dbraw/zinc/53/76/54/1053537654.db2.gz FCQIKZUXFKXNOC-SUNKGSAMSA-N 0 0 318.244 4.307 20 10 DICDRN CCn1ncc2ccc(N[C@H](C)c3ccc(N(C)C)cc3)cc21 ZINC000182961538 1053560338 /nfs/dbraw/zinc/56/03/38/1053560338.db2.gz KEMLPJAMHBKUHM-CQSZACIVSA-N 0 0 308.429 4.295 20 10 DICDRN O=C(Nc1c2nonc2ccc1Cl)c1cccc(C(F)F)c1 ZINC001323417702 1053580590 /nfs/dbraw/zinc/58/05/90/1053580590.db2.gz 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1061037950 /nfs/dbraw/zinc/03/79/50/1061037950.db2.gz BLZSCFSJMXTPEY-UHFFFAOYSA-N 0 0 321.424 4.363 20 10 DICDRN COc1ccc(N(Cc2ncccc2Cl)C(C)C)cc1F ZINC001473274204 1061047547 /nfs/dbraw/zinc/04/75/47/1061047547.db2.gz SHMVOPPPEAWRLL-UHFFFAOYSA-N 0 0 308.784 4.298 20 10 DICDRN COc1cccc(CN(c2ccc(OC)c(F)c2)C(C)C)c1 ZINC001473274198 1061047603 /nfs/dbraw/zinc/04/76/03/1061047603.db2.gz SASIHOGTMGAJKU-UHFFFAOYSA-N 0 0 303.377 4.258 20 10 DICDRN COc1ccc(N(C[C@@H]2CCC(C)(C)CO2)C(C)C)cc1F ZINC001473274398 1061049626 /nfs/dbraw/zinc/04/96/26/1061049626.db2.gz WZNLXZYOSDJCCB-HNNXBMFYSA-N 0 0 309.425 4.254 20 10 DICDRN CCc1ccc(NCc2cc(Cl)cc(OC)c2O)cc1OC ZINC001462245491 1061051669 /nfs/dbraw/zinc/05/16/69/1061051669.db2.gz AYHBCNYRKDDNRU-UHFFFAOYSA-N 0 0 321.804 4.237 20 10 DICDRN CC[C@H](c1ccccc1OC)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC001462300151 1061089741 /nfs/dbraw/zinc/08/97/41/1061089741.db2.gz XZBABYIVEQJJBZ-OAHLLOKOSA-N 0 0 321.367 4.262 20 10 DICDRN COc1ccc2c(c1)CCCCN2CC1CCC(OC)CC1 ZINC001462302540 1061091043 /nfs/dbraw/zinc/09/10/43/1061091043.db2.gz BSJLOFBILXQVDR-UHFFFAOYSA-N 0 0 303.446 4.043 20 10 DICDRN Cn1c(-c2ccccc2-c2cccnc2)nc2cccc(F)c21 ZINC001250860219 1061098813 /nfs/dbraw/zinc/09/88/13/1061098813.db2.gz FZHLXQSYEANHCM-UHFFFAOYSA-N 0 0 303.340 4.441 20 10 DICDRN Cn1c2cc(F)ccc2nc1-c1ccccc1-c1cccnc1 ZINC001250862043 1061099593 /nfs/dbraw/zinc/09/95/93/1061099593.db2.gz YHSGWCZQRLHRMC-UHFFFAOYSA-N 0 0 303.340 4.441 20 10 DICDRN Cc1ccc(CN2CCOc3cc(N(C)C)ccc32)c(Cl)c1 ZINC001473343720 1061101987 /nfs/dbraw/zinc/10/19/87/1061101987.db2.gz AIRFSPTWFZZRAW-UHFFFAOYSA-N 0 0 316.832 4.113 20 10 DICDRN CC(C)Oc1ccc(N(C)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC001473379785 1061122407 /nfs/dbraw/zinc/12/24/07/1061122407.db2.gz MISSDKXBVQVWRK-UHFFFAOYSA-N 0 0 314.385 4.061 20 10 DICDRN C[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+]1Cc1cccc(F)c1[O-] ZINC001462355450 1061125470 /nfs/dbraw/zinc/12/54/70/1061125470.db2.gz MXTPNQHFMSJUOT-IBGZPJMESA-N 0 0 317.379 4.268 20 10 DICDRN COc1ccc(N(C)Cc2cc3ccc(C)cc3[nH]2)cc1OC ZINC001462382767 1061140348 /nfs/dbraw/zinc/14/03/48/1061140348.db2.gz HQHFOYVBPLUIAH-UHFFFAOYSA-N 0 0 310.397 4.130 20 10 DICDRN C=C/C=C/CCNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC001455302991 1061220083 /nfs/dbraw/zinc/22/00/83/1061220083.db2.gz MTFSVQHIGOFCLE-VOTSOKGWSA-N 0 0 308.425 4.265 20 10 DICDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@@](F)(c2ccccc2)C1 ZINC001462515569 1061225163 /nfs/dbraw/zinc/22/51/63/1061225163.db2.gz IHLGSTVBAZUSMA-SFHVURJKSA-N 0 0 321.342 4.131 20 10 DICDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2CCC(C)(C)OC ZINC001473569578 1061258283 /nfs/dbraw/zinc/25/82/83/1061258283.db2.gz IYFYQLNSZZPSFR-MRXNPFEDSA-N 0 0 305.462 4.145 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1c(Cl)ccnc1Cl ZINC001462656041 1061322418 /nfs/dbraw/zinc/32/24/18/1061322418.db2.gz UOCDZXVCLKOLRD-UHFFFAOYSA-N 0 0 317.603 4.037 20 10 DICDRN CCCCOC(=O)[C@@H](C)N(CC1CC1)c1ccc(OCC)cc1 ZINC001473718614 1061367890 /nfs/dbraw/zinc/36/78/90/1061367890.db2.gz SSFIFLKWVKEIEK-OAHLLOKOSA-N 0 0 319.445 4.034 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)NC(C)(C)/C=C/Cl)cc1 ZINC001462851990 1061369416 /nfs/dbraw/zinc/36/94/16/1061369416.db2.gz VAUHCTBLIIGBDQ-VAWYXSNFSA-N 0 0 316.832 4.355 20 10 DICDRN CCOc1ccc(N(C[C@H](COC)C(C)C)CC2CC2)cc1 ZINC001473719804 1061371691 /nfs/dbraw/zinc/37/16/91/1061371691.db2.gz QUZLWGDRDCKGOH-QGZVFWFLSA-N 0 0 305.462 4.220 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)NCCC(C)(C)C1CC1 ZINC001251502811 1061385040 /nfs/dbraw/zinc/38/50/40/1061385040.db2.gz RMTJZWYXDIKWBJ-UHFFFAOYSA-N 0 0 318.461 4.140 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H]2C(C)(C)C)cc1 ZINC001463441918 1061480798 /nfs/dbraw/zinc/48/07/98/1061480798.db2.gz UJVMNZUGUARVDH-GOSISDBHSA-N 0 0 310.441 4.355 20 10 DICDRN CC(C)Oc1cccc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])c1 ZINC001473939255 1061484385 /nfs/dbraw/zinc/48/43/85/1061484385.db2.gz RYYPTNJUNZPJIP-UHFFFAOYSA-N 0 0 323.795 4.262 20 10 DICDRN Cc1cc(Br)c(O)c(CNc2ccccc2C)c1 ZINC001473939154 1061485010 /nfs/dbraw/zinc/48/50/10/1061485010.db2.gz ZXDNTUMBQAUWTP-UHFFFAOYSA-N 0 0 306.203 4.384 20 10 DICDRN Cc1ccc(OC[C@H](C)[NH2+]Cc2c([O-])ccc(Cl)c2F)cc1 ZINC001473964216 1061507128 /nfs/dbraw/zinc/50/71/28/1061507128.db2.gz NBQFLXDORDDWFX-LBPRGKRZSA-N 0 0 323.795 4.050 20 10 DICDRN Cc1cc(Cl)ccc1OC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001463752070 1061515001 /nfs/dbraw/zinc/51/50/01/1061515001.db2.gz FISOUTJOXFTRHB-UHFFFAOYSA-N 0 0 317.732 4.030 20 10 DICDRN CCc1ccc(C(=O)N(C)Cc2ccc(N(CC)CC)cc2)cc1 ZINC001463775223 1061521404 /nfs/dbraw/zinc/52/14/04/1061521404.db2.gz JDCDZIOVIUKMNJ-UHFFFAOYSA-N 0 0 324.468 4.367 20 10 DICDRN CC(C)(C)c1ccc2c(c1)CCCN2C(=O)/C=C/c1cccnc1 ZINC001457997271 1061534274 /nfs/dbraw/zinc/53/42/74/1061534274.db2.gz BCZOAESHEHMXSW-DHZHZOJOSA-N 0 0 320.436 4.372 20 10 DICDRN O=C1c2ccccc2-c2cccc(NC[C@H](O)c3ccccc3)c21 ZINC001251999487 1061552112 /nfs/dbraw/zinc/55/21/12/1061552112.db2.gz QJIBHTODFADRKQ-IBGZPJMESA-N 0 0 315.372 4.044 20 10 DICDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(C2CC2)c1 ZINC001464076798 1061554482 /nfs/dbraw/zinc/55/44/82/1061554482.db2.gz RHSSLZPKDPJFPV-UHFFFAOYSA-N 0 0 320.436 4.094 20 10 DICDRN CCN(CC)c1ccc(CNc2nc(C(C)(C)C)ns2)cc1 ZINC001458113833 1061577623 /nfs/dbraw/zinc/57/76/23/1061577623.db2.gz QLJKINSZYMQTCO-UHFFFAOYSA-N 0 0 318.490 4.294 20 10 DICDRN CCC1(C[NH2+]Cc2cc(C)cc(Br)c2[O-])CCC1 ZINC001474038553 1061582940 /nfs/dbraw/zinc/58/29/40/1061582940.db2.gz YPGAZAWBDAZNJK-UHFFFAOYSA-N 0 0 312.251 4.133 20 10 DICDRN COc1ccc(CNc2ccc3c(c2)ncn3C)c2ccccc12 ZINC001474050742 1061597481 /nfs/dbraw/zinc/59/74/81/1061597481.db2.gz UIMZMJJYLHRFHC-UHFFFAOYSA-N 0 0 317.392 4.347 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@H](C)CC2)cc1 ZINC001464594779 1061611883 /nfs/dbraw/zinc/61/18/83/1061611883.db2.gz DVCDZHFXAWQMHR-HNNXBMFYSA-N 0 0 310.441 4.356 20 10 DICDRN CC(C)c1ccccc1NC(=O)NCc1cc(Cl)ccc1O ZINC001464921300 1061651973 /nfs/dbraw/zinc/65/19/73/1061651973.db2.gz HJZVNOSPNRABAZ-UHFFFAOYSA-N 0 0 318.804 4.491 20 10 DICDRN CCC(=CC(=O)NCc1ccc(N(CC)CC)c(F)c1)CC ZINC001465007296 1061662796 /nfs/dbraw/zinc/66/27/96/1061662796.db2.gz QVUCCTDRYNKMBD-UHFFFAOYSA-N 0 0 306.425 4.035 20 10 DICDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC001474133813 1061678730 /nfs/dbraw/zinc/67/87/30/1061678730.db2.gz AWJFSHDBOQBYIX-BLLLJJGKSA-N 0 0 321.342 4.235 20 10 DICDRN CCCCN(Cc1ccccc1O)c1ncnc2[nH]cc(CC)c21 ZINC001458340596 1061707322 /nfs/dbraw/zinc/70/73/22/1061707322.db2.gz JDUIRHMORCMNQU-UHFFFAOYSA-N 0 0 324.428 4.033 20 10 DICDRN CC[C@H](C)[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC001465270282 1061722138 /nfs/dbraw/zinc/72/21/38/1061722138.db2.gz DCMRQDDASILSBS-GXTWGEPZSA-N 0 0 316.420 4.398 20 10 DICDRN CC(C)(C)c1ccc(-c2nnc(-c3ccc(O)c(O)c3)o2)cc1 ZINC001252802543 1061722963 /nfs/dbraw/zinc/72/29/63/1061722963.db2.gz CXOXRSXQDCRARF-UHFFFAOYSA-N 0 0 310.353 4.112 20 10 DICDRN CC[C@@H](C)[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC001465270285 1061723335 /nfs/dbraw/zinc/72/33/35/1061723335.db2.gz DCMRQDDASILSBS-TZMCWYRMSA-N 0 0 316.420 4.398 20 10 DICDRN Cc1cccc(O)c1C(=O)Nc1cccc(N2CCC(C)CC2)c1 ZINC001465310004 1061731416 /nfs/dbraw/zinc/73/14/16/1061731416.db2.gz VTSTVTQZBOOETN-UHFFFAOYSA-N 0 0 324.424 4.189 20 10 DICDRN CCc1nc2ccc(NCc3cc(F)cc(F)c3O)cc2s1 ZINC001474190785 1061738781 /nfs/dbraw/zinc/73/87/81/1061738781.db2.gz CMZCEBUFVXNEAA-UHFFFAOYSA-N 0 0 320.364 4.455 20 10 DICDRN CC[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCCO1 ZINC001474193375 1061741289 /nfs/dbraw/zinc/74/12/89/1061741289.db2.gz IVPYCNUGTGMKII-KGLIPLIRSA-N 0 0 318.244 4.136 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC001474192155 1061742826 /nfs/dbraw/zinc/74/28/26/1061742826.db2.gz MCUSFUPGNVUNKQ-IUODEOHRSA-N 0 0 305.780 4.078 20 10 DICDRN Cc1cc(C(=O)N2CCC[C@@H]2C)c(C)n1-c1cc(C)cc(C)c1 ZINC001465409181 1061747752 /nfs/dbraw/zinc/74/77/52/1061747752.db2.gz NYAZNHPHOUOYOB-HNNXBMFYSA-N 0 0 310.441 4.335 20 10 DICDRN CN(C)c1ccc(/C=C\CNc2cncc3c2CCCC3)cc1 ZINC001474208791 1061762546 /nfs/dbraw/zinc/76/25/46/1061762546.db2.gz QDCUXIATLFYUTP-WAYWQWQTSA-N 0 0 307.441 4.152 20 10 DICDRN CC1(C)C[C@@]1(C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC001474219376 1061779168 /nfs/dbraw/zinc/77/91/68/1061779168.db2.gz ZLWXGUJPVBPMNS-LJQANCHMSA-N 0 0 317.379 4.128 20 10 DICDRN CCCOc1ccc(NCc2cc(F)cc(F)c2O)cc1F ZINC001474226601 1061789175 /nfs/dbraw/zinc/78/91/75/1061789175.db2.gz UKPNKKUQAHIGLT-UHFFFAOYSA-N 0 0 311.303 4.210 20 10 DICDRN C[C@@H](NC(=O)Nc1ncc(C(C)(C)C)s1)c1ccccc1O ZINC001465761259 1061808719 /nfs/dbraw/zinc/80/87/19/1061808719.db2.gz ATAFRSLWQVSFNE-SNVBAGLBSA-N 0 0 319.430 4.029 20 10 DICDRN CCSCc1cccnc1NCc1ccc(N(C)C)c(F)c1 ZINC001474245782 1061810704 /nfs/dbraw/zinc/81/07/04/1061810704.db2.gz VEWRKQYHEJVFTO-UHFFFAOYSA-N 0 0 319.449 4.152 20 10 DICDRN CCc1cc(NCc2cc(C)n(-c3ccccc3)c2C)ncn1 ZINC001458530767 1061824350 /nfs/dbraw/zinc/82/43/50/1061824350.db2.gz NEEUVZMTMIPPBV-UHFFFAOYSA-N 0 0 306.413 4.059 20 10 DICDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@@]23C[C@@H]2CCCC3)c1 ZINC001474268659 1061836598 /nfs/dbraw/zinc/83/65/98/1061836598.db2.gz PMUMTSAQGKIYID-XJKSGUPXSA-N 0 0 324.262 4.133 20 10 DICDRN CC1(C)C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCS1 ZINC001474280708 1061849479 /nfs/dbraw/zinc/84/94/79/1061849479.db2.gz MKPKDMFSPHKSCU-LLVKDONJSA-N 0 0 320.285 4.463 20 10 DICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CCSC2(CCC2)C1 ZINC001474287208 1061855410 /nfs/dbraw/zinc/85/54/10/1061855410.db2.gz XJKMLEXFJPZYEF-JTQLQIEISA-N 0 0 315.841 4.093 20 10 DICDRN Cn1c(-c2ccccc2)cnc1SC[C@H]1CC[C@@H](C2CC2)O1 ZINC001458857250 1061920698 /nfs/dbraw/zinc/92/06/98/1061920698.db2.gz PCKRTKDAAYLNLD-WBVHZDCISA-N 0 0 314.454 4.137 20 10 DICDRN Cc1ccc(O)c(CNC(=O)Nc2ccc(C3CCC3)cc2)c1 ZINC001466348303 1061925784 /nfs/dbraw/zinc/92/57/84/1061925784.db2.gz SWJWBSFDDCFNKG-UHFFFAOYSA-N 0 0 310.397 4.290 20 10 DICDRN Cc1cccc(-c2nnc(/C=C/c3ccc(N(C)C)cc3)o2)c1 ZINC001253654485 1061942842 /nfs/dbraw/zinc/94/28/42/1061942842.db2.gz BOQHCHCRHABKTC-FMIVXFBMSA-N 0 0 305.381 4.281 20 10 DICDRN [O-]c1c(F)cccc1C[N@@H+]1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC001474354203 1061966147 /nfs/dbraw/zinc/96/61/47/1061966147.db2.gz MHVUCLFKIRMVND-PXNSSMCTSA-N 0 0 311.400 4.433 20 10 DICDRN CC(C)[N@H+](Cc1cc(Cl)cc(Br)c1[O-])C1CC1 ZINC001474365414 1061994960 /nfs/dbraw/zinc/99/49/60/1061994960.db2.gz FSHXJGJRPJQFSD-UHFFFAOYSA-N 0 0 318.642 4.181 20 10 DICDRN CSc1cc(C)ccc1NC(=O)NCc1cc(C)ccc1O ZINC001466863379 1062015157 /nfs/dbraw/zinc/01/51/57/1062015157.db2.gz HCXUJVLBKYAKPJ-UHFFFAOYSA-N 0 0 316.426 4.053 20 10 DICDRN C[C@H](NC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC001459177620 1062034418 /nfs/dbraw/zinc/03/44/18/1062034418.db2.gz INQAFWPCLPDLBL-WBTNSWJXSA-N 0 0 302.462 4.002 20 10 DICDRN Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC001459179973 1062034457 /nfs/dbraw/zinc/03/44/57/1062034457.db2.gz XEDVCWSDTPRXRR-RYGJVYDSSA-N 0 0 322.452 4.042 20 10 DICDRN Cc1cc(Cl)cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC001459179331 1062035949 /nfs/dbraw/zinc/03/59/49/1062035949.db2.gz VNRATLDMHMLWRZ-ZDUSSCGKSA-N 0 0 316.832 4.205 20 10 DICDRN O=[N+]([O-])c1ccc(F)cc1CSc1ncc(Cl)s1 ZINC001459191164 1062037738 /nfs/dbraw/zinc/03/77/38/1062037738.db2.gz CJIVNRGEMYFJNM-UHFFFAOYSA-N 0 0 304.755 4.136 20 10 DICDRN CN(C)c1ccc(/C=C/c2nnc(-c3cccc(F)c3)o2)cc1 ZINC001254161793 1062039249 /nfs/dbraw/zinc/03/92/49/1062039249.db2.gz YRNVQYMMDSCIJZ-DHZHZOJOSA-N 0 0 309.344 4.112 20 10 DICDRN CSc1cc(NC(=O)N[C@@H](C)c2ccccc2O)ccc1C ZINC001466990389 1062043552 /nfs/dbraw/zinc/04/35/52/1062043552.db2.gz BDVGLLVQOMJVAE-LBPRGKRZSA-N 0 0 316.426 4.305 20 10 DICDRN Oc1cc(Cl)ccc1CN(Cc1ccco1)Cc1ccco1 ZINC001474405327 1062069089 /nfs/dbraw/zinc/06/90/89/1062069089.db2.gz UEVPPQBYLLGJIP-UHFFFAOYSA-N 0 0 317.772 4.434 20 10 DICDRN COc1cc(CNc2ccc(Cl)nc2)c(O)c(C(C)(C)C)c1 ZINC001474408675 1062074653 /nfs/dbraw/zinc/07/46/53/1062074653.db2.gz UIGLWZHLYGITIN-UHFFFAOYSA-N 0 0 320.820 4.359 20 10 DICDRN CN(Cc1cccc(-c2ccccn2)c1)c1ccc2c(c1)OCO2 ZINC001474432186 1062107065 /nfs/dbraw/zinc/10/70/65/1062107065.db2.gz YUPQDYLSZKXOBH-UHFFFAOYSA-N 0 0 318.376 4.114 20 10 DICDRN COc1cccc2c(CN(C)c3ccc4c(c3)OCO4)cccc12 ZINC001474432184 1062107710 /nfs/dbraw/zinc/10/77/10/1062107710.db2.gz YQHNNSATRSRKHO-UHFFFAOYSA-N 0 0 321.376 4.214 20 10 DICDRN COc1ccc(N(C)CCSC2CCCCC2)cc1OC ZINC001459391250 1062123844 /nfs/dbraw/zinc/12/38/44/1062123844.db2.gz DSVDVZLBVBICLY-UHFFFAOYSA-N 0 0 309.475 4.206 20 10 DICDRN CCN(Cc1ccc(N(C)C)c(C)c1)Cc1c(F)cccc1F ZINC001459417477 1062135946 /nfs/dbraw/zinc/13/59/46/1062135946.db2.gz XJINSGDNAVZSOR-UHFFFAOYSA-N 0 0 318.411 4.361 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(C)cc(C)c1 ZINC001467497712 1062140046 /nfs/dbraw/zinc/14/00/46/1062140046.db2.gz NIRVKRNBMIRPGU-UHFFFAOYSA-N 0 0 311.425 4.452 20 10 DICDRN COc1cccc([C@H]2C[C@H]([NH2+]Cc3ccc(Cl)cc3[O-])C2)c1 ZINC001474525041 1062209552 /nfs/dbraw/zinc/20/95/52/1062209552.db2.gz MVTYOUWFFIYYBO-KOMQPUFPSA-N 0 0 317.816 4.090 20 10 DICDRN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001474544404 1062239331 /nfs/dbraw/zinc/23/93/31/1062239331.db2.gz GOSBLXJFHGJQNX-PBFPGSCMSA-N 0 0 317.379 4.437 20 10 DICDRN CCOCc1ccc(N[C@@H](C)c2cc(F)cc(F)c2O)cc1 ZINC001254728985 1062242526 /nfs/dbraw/zinc/24/25/26/1062242526.db2.gz BFEOKCAVDAQVRK-NSHDSACASA-N 0 0 307.340 4.380 20 10 DICDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC2(CCC2)[C@H]1c1ccccc1 ZINC001474552303 1062250142 /nfs/dbraw/zinc/25/01/42/1062250142.db2.gz FSYPXZBGWZLTFD-GOSISDBHSA-N 0 0 315.363 4.398 20 10 DICDRN COc1ccc2c(c1)CCCCN2Cc1ccc(SC)o1 ZINC001474556261 1062258683 /nfs/dbraw/zinc/25/86/83/1062258683.db2.gz FDVKMUQOGVRAJR-UHFFFAOYSA-N 0 0 303.427 4.353 20 10 DICDRN Cc1cc(C(=O)N2CC[C@@H]2C2CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC001468275671 1062294155 /nfs/dbraw/zinc/29/41/55/1062294155.db2.gz HEYVKFSHWHHGDL-HXUWFJFHSA-N 0 0 322.452 4.335 20 10 DICDRN FC(F)Oc1ccc2c(c1)CCCN2C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001459676002 1062295580 /nfs/dbraw/zinc/29/55/80/1062295580.db2.gz GMJOSOJTUNPECY-VNHYZAJKSA-N 0 0 307.384 4.477 20 10 DICDRN CCC1CCC(CNC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC001468298208 1062296127 /nfs/dbraw/zinc/29/61/27/1062296127.db2.gz KBVOXJYIHHZKTR-UHFFFAOYSA-N 0 0 324.852 4.061 20 10 DICDRN C[C@H]1CN(Cc2cc(F)c(N(C)C)cc2F)c2ccccc21 ZINC001474590158 1062302281 /nfs/dbraw/zinc/30/22/81/1062302281.db2.gz OPHFWHKTSVQFRL-LBPRGKRZSA-N 0 0 302.368 4.155 20 10 DICDRN CCCN(Cc1ccc(C)s1)c1ccc2c(c1)OCCO2 ZINC001459691163 1062307847 /nfs/dbraw/zinc/30/78/47/1062307847.db2.gz RHGKYRLHAYATSR-UHFFFAOYSA-N 0 0 303.427 4.244 20 10 DICDRN CC(C)SCCN1CCCc2cc(OC(F)(F)F)ccc21 ZINC001459692164 1062311586 /nfs/dbraw/zinc/31/15/86/1062311586.db2.gz OJYKYRNGYYULQU-UHFFFAOYSA-N 0 0 319.392 4.479 20 10 DICDRN C[C@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2F)CCc2ccccc21 ZINC001474613619 1062331617 /nfs/dbraw/zinc/33/16/17/1062331617.db2.gz HNYANBPDFGCRAT-LBPRGKRZSA-N 0 0 319.807 4.347 20 10 DICDRN CCOc1ccc(N(CC)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC001459739277 1062352560 /nfs/dbraw/zinc/35/25/60/1062352560.db2.gz IITKRUJHSLCJGT-UHFFFAOYSA-N 0 0 318.348 4.159 20 10 DICDRN CCC[N@H+](Cc1ccccc1F)Cc1cc(C)cc(OC)c1O ZINC001474631049 1062353160 /nfs/dbraw/zinc/35/31/60/1062353160.db2.gz UKFSQLORLMNXIH-UHFFFAOYSA-N 0 0 317.404 4.261 20 10 DICDRN Cc1ccc(C)n1-c1ccc(O)c(-c2nnc(C3CCC3)o2)c1 ZINC001255246802 1062365164 /nfs/dbraw/zinc/36/51/64/1062365164.db2.gz UEOHHDALHSIWCT-UHFFFAOYSA-N 0 0 309.369 4.117 20 10 DICDRN CN(Cc1ccccc1C(F)(F)F)c1ccc2c(c1)OCO2 ZINC001459773144 1062389896 /nfs/dbraw/zinc/38/98/96/1062389896.db2.gz GDNQQXIFHBFLCU-UHFFFAOYSA-N 0 0 309.287 4.071 20 10 DICDRN CC(C)(C)c1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])o1 ZINC001474668171 1062395040 /nfs/dbraw/zinc/39/50/40/1062395040.db2.gz JWHLZFCAIKLRMS-UHFFFAOYSA-N 0 0 311.784 4.365 20 10 DICDRN C[C@H](CC1CCCCC1)C(=O)Nc1c2nonc2ccc1Cl ZINC001459788232 1062398433 /nfs/dbraw/zinc/39/84/33/1062398433.db2.gz JSPMSOFJLGIAKQ-SNVBAGLBSA-N 0 0 321.808 4.421 20 10 DICDRN CCCCC[C@H](CC)C(=O)Nc1c2nonc2ccc1Cl ZINC001459787099 1062398668 /nfs/dbraw/zinc/39/86/68/1062398668.db2.gz ATXVXMRRLONMQE-JTQLQIEISA-N 0 0 309.797 4.421 20 10 DICDRN Oc1cccc2c1CN(Cc1ccc(F)c(C(F)(F)F)c1)C2 ZINC001474677004 1062408887 /nfs/dbraw/zinc/40/88/87/1062408887.db2.gz ASGPUZXXYBSVEL-UHFFFAOYSA-N 0 0 311.278 4.066 20 10 DICDRN COc1ccc(N(C[C@H]2CC[C@@H](C3CC3)O2)C(C)C)cc1F ZINC001459800777 1062411315 /nfs/dbraw/zinc/41/13/15/1062411315.db2.gz QNPCSIIHVHXZGA-WBVHZDCISA-N 0 0 307.409 4.007 20 10 DICDRN Cc1cc(C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)c(C)n1-c1ccccc1C ZINC001468877192 1062423250 /nfs/dbraw/zinc/42/32/50/1062423250.db2.gz LRHFIVXUJOAQHD-NZSAHSFTSA-N 0 0 322.452 4.321 20 10 DICDRN CCc1cccc(CN2CCCCC[C@@H]2C(F)(F)F)c1O ZINC001474707177 1062434457 /nfs/dbraw/zinc/43/44/57/1062434457.db2.gz QUAOEXAEYZENAA-CQSZACIVSA-N 0 0 301.352 4.262 20 10 DICDRN CC[C@H]([NH2+]Cc1cccc(Cl)c1[O-])c1cc(F)ccc1OC ZINC001474713410 1062438842 /nfs/dbraw/zinc/43/88/42/1062438842.db2.gz BFIVZUSSISHNHO-HNNXBMFYSA-N 0 0 323.795 4.434 20 10 DICDRN CC[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])c1cc(F)ccc1OC ZINC001474713421 1062440875 /nfs/dbraw/zinc/44/08/75/1062440875.db2.gz BFIVZUSSISHNHO-OAHLLOKOSA-N 0 0 323.795 4.434 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]CCCCCOc1ccccc1 ZINC001474745600 1062460843 /nfs/dbraw/zinc/46/08/43/1062460843.db2.gz UDUGQOBCCPAQPW-UHFFFAOYSA-N 0 0 319.832 4.385 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC(C)(C)C[C@@H]1C ZINC001469055101 1062467995 /nfs/dbraw/zinc/46/79/95/1062467995.db2.gz HDWQJKHZGCTCEX-AWEZNQCLSA-N 0 0 316.470 4.416 20 10 DICDRN CC1(C)CCC(=CC(=O)NCc2ccc3cccnc3c2O)CC1 ZINC001469251449 1062510617 /nfs/dbraw/zinc/51/06/17/1062510617.db2.gz XBKSDADXWCUFHS-UHFFFAOYSA-N 0 0 324.424 4.083 20 10 DICDRN CC(C)(CNC(=O)NCc1cc(Cl)ccc1O)C1CCCC1 ZINC001469431643 1062550787 /nfs/dbraw/zinc/55/07/87/1062550787.db2.gz LMMYAQUXMLXFTI-UHFFFAOYSA-N 0 0 324.852 4.061 20 10 DICDRN CCC1(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCCCC1 ZINC001469853164 1062646245 /nfs/dbraw/zinc/64/62/45/1062646245.db2.gz GZSQEPKEIDTYIO-OAHLLOKOSA-N 0 0 317.477 4.226 20 10 DICDRN CC1(C)CCCC[C@@H]1CC(=O)NCc1cc(Cl)ccc1O ZINC001469877920 1062648768 /nfs/dbraw/zinc/64/87/68/1062648768.db2.gz YGEUWCPYHGXBAD-CYBMUJFWSA-N 0 0 309.837 4.268 20 10 DICDRN CC1(C)CCCC[C@H]1CC(=O)NCc1cc(Cl)ccc1O ZINC001469877921 1062649701 /nfs/dbraw/zinc/64/97/01/1062649701.db2.gz YGEUWCPYHGXBAD-ZDUSSCGKSA-N 0 0 309.837 4.268 20 10 DICDRN CN(Cc1ccccc1O)C(=O)Nc1ccccc1C(C)(F)F ZINC001476616871 1062691913 /nfs/dbraw/zinc/69/19/13/1062691913.db2.gz YDGZNXPQEDGLPI-UHFFFAOYSA-N 0 0 320.339 4.168 20 10 DICDRN Cc1cc(C(=O)NCC2=CCCC2)c(C)n1-c1ccc(F)cc1 ZINC001470278511 1062742833 /nfs/dbraw/zinc/74/28/33/1062742833.db2.gz XBMVQCRZMRENAL-UHFFFAOYSA-N 0 0 312.388 4.073 20 10 DICDRN C[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)c1cccc(C2CC2)c1 ZINC001470322018 1062750510 /nfs/dbraw/zinc/75/05/10/1062750510.db2.gz BRYUIJOFVJGNCS-KGLIPLIRSA-N 0 0 324.424 4.391 20 10 DICDRN C[C@H](NC(=O)N[C@@H](C)c1ccccc1O)c1cccc(C2CC2)c1 ZINC001470322017 1062751547 /nfs/dbraw/zinc/75/15/47/1062751547.db2.gz BRYUIJOFVJGNCS-KBPBESRZSA-N 0 0 324.424 4.391 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](CC)[C@H]1CC1(C)C ZINC001470572307 1062815873 /nfs/dbraw/zinc/81/58/73/1062815873.db2.gz WSZJKOAMAZEUOT-HZPDHXFCSA-N 0 0 318.461 4.139 20 10 DICDRN CCC[C@H](C)NC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001477428577 1062879664 /nfs/dbraw/zinc/87/96/64/1062879664.db2.gz ILCWLMQFUGRXOQ-AWEZNQCLSA-N 0 0 313.445 4.082 20 10 DICDRN CC[C@H](NC(=O)N1Cc2cccc(O)c2C1)c1cc(C)ccc1C ZINC001471080778 1062920459 /nfs/dbraw/zinc/92/04/59/1062920459.db2.gz UJMBHQKMRMLCCU-SFHVURJKSA-N 0 0 324.424 4.186 20 10 DICDRN CC[C@@H](NC(=O)N1Cc2cccc(O)c2C1)c1cc(C)ccc1C ZINC001471080765 1062922264 /nfs/dbraw/zinc/92/22/64/1062922264.db2.gz UJMBHQKMRMLCCU-GOSISDBHSA-N 0 0 324.424 4.186 20 10 DICDRN C[C@@H](NC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)c1ccccc1O ZINC001471195637 1062940457 /nfs/dbraw/zinc/94/04/57/1062940457.db2.gz JPWSMCRZDKQLAL-TXCZRRACSA-N 0 0 301.430 4.176 20 10 DICDRN Oc1ccc(/C=C/c2nnc(CCC3CCCCC3)o2)cc1O ZINC001256809844 1062995774 /nfs/dbraw/zinc/99/57/74/1062995774.db2.gz OTUYHVPPAZUVBU-DHZHZOJOSA-N 0 0 314.385 4.164 20 10 DICDRN C[C@@]1(c2nnc(-c3ccc(-n4cccc4)cc3)o2)C[C@@H]2C=C[C@H]1C2 ZINC001256935959 1063056620 /nfs/dbraw/zinc/05/66/20/1063056620.db2.gz WFSCKRNCBWVHSU-PTSWNOGYSA-N 0 0 317.392 4.381 20 10 DICDRN Fc1ccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)c(F)c1 ZINC001256941192 1063057800 /nfs/dbraw/zinc/05/78/00/1063057800.db2.gz SXFBWDOVSBFXHO-UHFFFAOYSA-N 0 0 323.302 4.473 20 10 DICDRN C(=C/c1nnc(-c2ccc(-n3cccc3)cc2)o1)\c1ccco1 ZINC001256951395 1063058622 /nfs/dbraw/zinc/05/86/22/1063058622.db2.gz GRNCPLDVTIPNAB-MDZDMXLPSA-N 0 0 303.321 4.291 20 10 DICDRN Fc1cc(F)cc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)c1 ZINC001256941178 1063058904 /nfs/dbraw/zinc/05/89/04/1063058904.db2.gz SMEZSNCKFOTADM-UHFFFAOYSA-N 0 0 323.302 4.473 20 10 DICDRN c1ccn(-c2ccc(-c3nnc([C@H]4C[C@@H]5CC[C@H]4C5)o3)cc2)c1 ZINC001256969985 1063061030 /nfs/dbraw/zinc/06/10/30/1063061030.db2.gz HYDWHGJKOOKCKY-KMFMINBZSA-N 0 0 305.381 4.431 20 10 DICDRN CC1(c2nnc(-c3ccc(-n4cccc4)cc3)o2)CC(F)(F)C1 ZINC001256965586 1063061309 /nfs/dbraw/zinc/06/13/09/1063061309.db2.gz FQHFWJVMRTWEFB-UHFFFAOYSA-N 0 0 315.323 4.214 20 10 DICDRN O[C@H](c1nnc(-c2ccc(-n3cccc3)cc2)o1)C1CCCCC1 ZINC001256965844 1063062366 /nfs/dbraw/zinc/06/23/66/1063062366.db2.gz LGVPZEMVSGDAMH-KRWDZBQOSA-N 0 0 323.396 4.141 20 10 DICDRN Cc1cc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)cnc1F ZINC001256978742 1063067471 /nfs/dbraw/zinc/06/74/71/1063067471.db2.gz RIGOROGUWQHXOA-UHFFFAOYSA-N 0 0 320.327 4.037 20 10 DICDRN CCc1ncccc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256980579 1063067672 /nfs/dbraw/zinc/06/76/72/1063067672.db2.gz AHHWPAMCONTAGE-UHFFFAOYSA-N 0 0 316.364 4.152 20 10 DICDRN Cc1ccnc(C)c1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256978771 1063067854 /nfs/dbraw/zinc/06/78/54/1063067854.db2.gz SCYOHJXINPUNFQ-UHFFFAOYSA-N 0 0 316.364 4.206 20 10 DICDRN CCc1cccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)n1 ZINC001256981789 1063069177 /nfs/dbraw/zinc/06/91/77/1063069177.db2.gz PXOADMWAIDJZHT-UHFFFAOYSA-N 0 0 316.364 4.152 20 10 DICDRN O=C(CC(C1CCC1)C1CCC1)NCc1cccc(Cl)c1O ZINC001472317214 1063071554 /nfs/dbraw/zinc/07/15/54/1063071554.db2.gz ZVENBBORDZJPTM-UHFFFAOYSA-N 0 0 321.848 4.268 20 10 DICDRN Oc1ccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)c(F)c1 ZINC001256987783 1063071899 /nfs/dbraw/zinc/07/18/99/1063071899.db2.gz JPNNIVZPPUBLGV-UHFFFAOYSA-N 0 0 321.311 4.039 20 10 DICDRN Cc1cc(NCc2c(O)ccc3c2CCCC3)nc(C2CCC2)n1 ZINC001472707655 1063166908 /nfs/dbraw/zinc/16/69/08/1063166908.db2.gz DPFFMJJBHNPOKN-UHFFFAOYSA-N 0 0 323.440 4.249 20 10 DICDRN Cc1cccc(OC[C@@H](C)[NH2+]Cc2cc(Cl)cc(F)c2[O-])c1 ZINC001461085156 1063243255 /nfs/dbraw/zinc/24/32/55/1063243255.db2.gz KKYHXAMGYCMAJF-GFCCVEGCSA-N 0 0 323.795 4.050 20 10 DICDRN CC[C@H]([NH2+]CCCCOc1ccccc1)c1ccc(F)cc1[O-] ZINC001257438140 1063275836 /nfs/dbraw/zinc/27/58/36/1063275836.db2.gz RAFYHFAWYHWEBT-SFHVURJKSA-N 0 0 317.404 4.431 20 10 DICDRN CC(C)(C)c1cnc(SCc2cc3n(n2)CCCC3)s1 ZINC001473002619 1063349842 /nfs/dbraw/zinc/34/98/42/1063349842.db2.gz NOEAQGIVBRVQDM-UHFFFAOYSA-N 0 0 307.488 4.266 20 10 DICDRN COC(=O)c1cnc(S[C@@H]2CCCc3ccc(F)cc32)s1 ZINC001473035602 1063366970 /nfs/dbraw/zinc/36/69/70/1063366970.db2.gz QDBPISCNDIUNIL-GFCCVEGCSA-N 0 0 323.414 4.239 20 10 DICDRN C[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)[C@H](C)c1ccccc1 ZINC001461265326 1063377332 /nfs/dbraw/zinc/37/73/32/1063377332.db2.gz OERZBUPIMCKTBA-NWDGAFQWSA-N 0 0 307.796 4.467 20 10 DICDRN CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001461274774 1063383917 /nfs/dbraw/zinc/38/39/17/1063383917.db2.gz JVJIWHSMNBNVNJ-KBPBESRZSA-N 0 0 317.857 4.339 20 10 DICDRN CN(C)c1ccc(/C=C/CNc2ccc3ncccc3c2)cc1 ZINC001461302963 1063403666 /nfs/dbraw/zinc/40/36/66/1063403666.db2.gz DTPFNIDYJKJDGF-HWKANZROSA-N 0 0 303.409 4.426 20 10 DICDRN CN(C)c1ccc(/C=C/CNc2cccc(-n3cccn3)c2)cc1 ZINC001461311429 1063408945 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CC(C)Oc1ccc(N(C)C[C@@H]2CCOc3ccccc32)cc1 ZINC001308688810 1066181389 /nfs/dbraw/zinc/18/13/89/1066181389.db2.gz QZNZPNNBXPBYSH-INIZCTEOSA-N 0 0 311.425 4.476 20 10 DICDRN CO[C@@H](CN(C)c1ccc(OCc2ccccc2)cc1)C1CC1 ZINC001308697178 1066186548 /nfs/dbraw/zinc/18/65/48/1066186548.db2.gz TYFALKZHEZAKBQ-FQEVSTJZSA-N 0 0 311.425 4.127 20 10 DICDRN [O-]c1cc(Cl)ccc1C[NH2+]CCCc1cccc(Cl)c1 ZINC001308733572 1066209943 /nfs/dbraw/zinc/20/99/43/1066209943.db2.gz YNPUAWHGPQUPRS-UHFFFAOYSA-N 0 0 310.224 4.421 20 10 DICDRN Cc1cc(O)c(CN2CC(C)(C)[C@@H]2c2cccnc2)c(Cl)c1 ZINC001308778035 1066250456 /nfs/dbraw/zinc/25/04/56/1066250456.db2.gz GCESKTMJGODPTA-KRWDZBQOSA-N 0 0 316.832 4.332 20 10 DICDRN COc1ccc2c(c1)CCCCN2Cc1cc(F)ccc1OC ZINC001308796500 1066274163 /nfs/dbraw/zinc/27/41/63/1066274163.db2.gz GKSABYALMLYKEV-UHFFFAOYSA-N 0 0 315.388 4.186 20 10 DICDRN [O-]c1c(F)c(F)ccc1C[NH2+]Cc1ccc2sccc2c1 ZINC001308799317 1066275342 /nfs/dbraw/zinc/27/53/42/1066275342.db2.gz CFLCXQCGILZONW-UHFFFAOYSA-N 0 0 305.349 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CC(C)C(CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC001312528294 1066812715 /nfs/dbraw/zinc/81/27/15/1066812715.db2.gz IHGHFJMXLKQVCS-HNNXBMFYSA-N 0 0 319.493 4.041 20 10 DICDRN C[C@H](NC(=O)NC1(C)CCC(C)CC1)c1ccc(N(C)C)cc1 ZINC001312531461 1066812841 /nfs/dbraw/zinc/81/28/41/1066812841.db2.gz MBDLHGMORZCTLV-HVEKOLDVSA-N 0 0 317.477 4.082 20 10 DICDRN CCN(C)c1ccc([C@H](C)NCc2nc(C3CC3)cs2)cc1 ZINC000090460346 185297646 /nfs/dbraw/zinc/29/76/46/185297646.db2.gz BOASTLZPNQHAHA-ZDUSSCGKSA-N 0 0 315.486 4.327 20 10 DICDRN Nc1ccc(CC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000020185836 182195108 /nfs/dbraw/zinc/19/51/08/182195108.db2.gz AVDHZJXGSLCRKK-UHFFFAOYSA-N 0 0 318.376 4.242 20 10 DICDRN C[C@H](Nc1ccc(Br)cc1)c1ccc(F)cc1O ZINC000062744876 184252162 /nfs/dbraw/zinc/25/21/62/184252162.db2.gz MVRWARIJGHTANG-VIFPVBQESA-N 0 0 310.166 4.467 20 10 DICDRN CC[C@@H](C)[C@@H](C)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000272473667 130033456 /nfs/dbraw/zinc/03/34/56/130033456.db2.gz XLRBGBLLMMYTIH-ZIAGYGMSSA-N 0 0 322.412 4.017 20 10 DICDRN CC(C)Oc1ccccc1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000273394977 130115778 /nfs/dbraw/zinc/11/57/78/130115778.db2.gz LRZHRSDSDQIUBY-ZDUSSCGKSA-N 0 0 303.377 4.169 20 10 DICDRN CC[C@H](Nc1ccc(OC2COC2)cc1)c1ccc(C)cc1O ZINC000280128217 130785286 /nfs/dbraw/zinc/78/52/86/130785286.db2.gz ORUOKLFXHCWPSF-SFHVURJKSA-N 0 0 313.397 4.041 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc(F)c(COC)c1)c1ccc(F)cc1[O-] ZINC000286073623 131217915 /nfs/dbraw/zinc/21/79/15/131217915.db2.gz LYVIXYGBRCUDMC-KRWDZBQOSA-N 0 0 321.367 4.058 20 10 DICDRN CC[C@H]([NH2+][C@H](CCCO)c1ccccc1)c1ccc(F)cc1[O-] ZINC000286119496 131220549 /nfs/dbraw/zinc/22/05/49/131220549.db2.gz OADNNYLGOCKJQK-ZWKOTPCHSA-N 0 0 317.404 4.086 20 10 DICDRN CC[C@H](Nc1ccc(C)c(NC(C)=O)c1)c1ccc(F)cc1O ZINC000286218184 131224617 /nfs/dbraw/zinc/22/46/17/131224617.db2.gz SEMVLIKQEITBOL-INIZCTEOSA-N 0 0 316.376 4.361 20 10 DICDRN CC[C@H]([NH2+]CCc1ccncc1C)c1cccc(Cl)c1[O-] ZINC000287599330 131289016 /nfs/dbraw/zinc/28/90/16/131289016.db2.gz INJCEZJGXLJBNG-INIZCTEOSA-N 0 0 304.821 4.032 20 10 DICDRN CC[C@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1ccc(F)cc1[O-] ZINC000287665858 131293193 /nfs/dbraw/zinc/29/31/93/131293193.db2.gz VNXSPJCYLYPFBC-HOTGVXAUSA-N 0 0 319.351 4.235 20 10 DICDRN CC[C@@H]([NH2+]Cc1cccc2c1OCO2)c1cccc(Cl)c1[O-] ZINC000287675430 131294134 /nfs/dbraw/zinc/29/41/34/131294134.db2.gz MKIBWHAEMFUFGX-CQSZACIVSA-N 0 0 319.788 4.015 20 10 DICDRN C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000287700888 131295308 /nfs/dbraw/zinc/29/53/08/131295308.db2.gz XDXTUCVUWFOFQY-OUAUKWLOSA-N 0 0 318.244 4.022 20 10 DICDRN CC[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1cccc(Cl)c1[O-] ZINC000287771704 131300150 /nfs/dbraw/zinc/30/01/50/131300150.db2.gz RNQJULYBNITWDC-RCBQFDQVSA-N 0 0 309.837 4.044 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccn(C)c1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287892158 131304395 /nfs/dbraw/zinc/30/43/95/131304395.db2.gz ZBDCHTOWHLHTJJ-CQSZACIVSA-N 0 0 313.228 4.278 20 10 DICDRN CN(Cc1ccccc1O)C(=O)CCCc1ccccc1Cl ZINC000289992857 131442389 /nfs/dbraw/zinc/44/23/89/131442389.db2.gz XQSCKALUTIFRFL-UHFFFAOYSA-N 0 0 317.816 4.027 20 10 DICDRN COc1ccc(N[C@H]2CCc3cccc(O)c32)cc1OC(C)C ZINC000296461759 131964803 /nfs/dbraw/zinc/96/48/03/131964803.db2.gz NWGJUUQUIACVCX-HNNXBMFYSA-N 0 0 313.397 4.287 20 10 DICDRN CC(C)(C)NC(=O)c1cccc(N[C@H]2CCc3cccc(O)c32)c1 ZINC000296507960 131968250 /nfs/dbraw/zinc/96/82/50/131968250.db2.gz QJKIFTMOVIXJQJ-INIZCTEOSA-N 0 0 324.424 4.020 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)CCCc1cccs1 ZINC000299689582 132115783 /nfs/dbraw/zinc/11/57/83/132115783.db2.gz VUIFJZKDUILSOV-UHFFFAOYSA-N 0 0 317.454 4.215 20 10 DICDRN COc1cccc(CNc2ccccc2N2CCCCC2)c1O ZINC000120295157 132142830 /nfs/dbraw/zinc/14/28/30/132142830.db2.gz ADGLAGBFNOGEEB-UHFFFAOYSA-N 0 0 312.413 4.003 20 10 DICDRN CCC(CC)N(CC)C(=O)NCc1c(C)c2ccccc2n1C ZINC000460671109 333122827 /nfs/dbraw/zinc/12/28/27/333122827.db2.gz AEIGAOFZYWRAIA-UHFFFAOYSA-N 0 0 315.461 4.207 20 10 DICDRN COc1cc(OC)c(N[C@H](C)c2ccccc2O)cc1Cl ZINC000019993668 333295855 /nfs/dbraw/zinc/29/58/55/333295855.db2.gz RZCDXLQSCBBFNW-SNVBAGLBSA-N 0 0 307.777 4.236 20 10 DICDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cc[nH]c1C1CCC1 ZINC000345368574 335321055 /nfs/dbraw/zinc/32/10/55/335321055.db2.gz GCRXGQHCUCKHIN-UHFFFAOYSA-N 0 0 321.424 4.012 20 10 DICDRN Cc1c2ccccc2n(C)c1CNc1ccc(N2CCCC2)nc1 ZINC000326921022 335651922 /nfs/dbraw/zinc/65/19/22/335651922.db2.gz SYEKVZNTSNBAFD-UHFFFAOYSA-N 0 0 320.440 4.094 20 10 DICDRN COc1ccc(OC(F)F)c(N[C@H](C)c2ccccc2O)c1 ZINC000192764979 336260938 /nfs/dbraw/zinc/26/09/38/336260938.db2.gz YEHVEBHVJYPEDV-SNVBAGLBSA-N 0 0 309.312 4.175 20 10 DICDRN Cc1cccc2ncnc(N[C@H](C)c3ccc(N(C)C)cc3)c12 ZINC000302472271 336359392 /nfs/dbraw/zinc/35/93/92/336359392.db2.gz WSGJZBBKPBXNPL-CQSZACIVSA-N 0 0 306.413 4.177 20 10 DICDRN CC(C)n1ncc2c1[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])CCC2 ZINC000375176613 337005397 /nfs/dbraw/zinc/00/53/97/337005397.db2.gz BAAIYXMNTWGEHB-LRDDRELGSA-N 0 0 317.408 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C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccc(F)c(F)c1[O-] ZINC000276883749 1038265699 /nfs/dbraw/zinc/26/56/99/1038265699.db2.gz GPDLDFNYDCTESV-BJOHPYRUSA-N 0 0 307.315 4.148 20 10 DICDRN COc1ccc(O)c([C@H](C)Nc2cccc3ccc(C)nc32)c1 ZINC000171132535 1038342662 /nfs/dbraw/zinc/34/26/62/1038342662.db2.gz WCAFQJWCNIQBLL-ZDUSSCGKSA-N 0 0 308.381 4.431 20 10 DICDRN C/C(=C\C(=O)N(C)Cc1ccccc1O)c1ccccc1Cl ZINC000171187165 1038358949 /nfs/dbraw/zinc/35/89/49/1038358949.db2.gz HNZQZKLMDJQTNG-ACCUITESSA-N 0 0 315.800 4.108 20 10 DICDRN C[C@H]1CCN(C(=O)/C=C\c2cccnc2)c2ccccc2S1 ZINC000255422969 1038397253 /nfs/dbraw/zinc/39/72/53/1038397253.db2.gz DOAANVAGWHEISR-CKXPSTMWSA-N 0 0 310.422 4.012 20 10 DICDRN CN(C)c1ccc(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)cc1 ZINC000176636868 1038458804 /nfs/dbraw/zinc/45/88/04/1038458804.db2.gz FPJFCMLZXDLLQX-LJQANCHMSA-N 0 0 322.452 4.289 20 10 DICDRN CC[C@H](CC1CCCCC1)C(=O)NCc1cc(OC)ccc1O ZINC000749535742 1038618489 /nfs/dbraw/zinc/61/84/89/1038618489.db2.gz 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CC1(C)CCN(Cc2c[nH]nc2-c2cccnc2)c2ccccc21 ZINC000685476784 1040075964 /nfs/dbraw/zinc/07/59/64/1040075964.db2.gz DOUJXZSNXXXKAD-UHFFFAOYSA-N 0 0 318.424 4.160 20 10 DICDRN CCOC(=O)c1cnc(Sc2nc3ccccc3s2)s1 ZINC000313720489 1040081274 /nfs/dbraw/zinc/08/12/74/1040081274.db2.gz WDCUHQFWKUJOKS-UHFFFAOYSA-N 0 0 322.436 4.081 20 10 DICDRN C[C@H](OCc1ccc(N)cc1)c1ccc(Br)cc1 ZINC001217836079 1040120831 /nfs/dbraw/zinc/12/08/31/1040120831.db2.gz VYBNEXFBUKXOBV-NSHDSACASA-N 0 0 306.203 4.309 20 10 DICDRN C[C@H](OCc1ccc(N)cc1)c1ccccc1Br ZINC001217866865 1040245514 /nfs/dbraw/zinc/24/55/14/1040245514.db2.gz QQRCOHBPSWGLMA-NSHDSACASA-N 0 0 306.203 4.309 20 10 DICDRN CN(C)c1ccc(CN(C)C(=O)CC/C=C\c2ccccc2)cc1 ZINC000255633273 1040274655 /nfs/dbraw/zinc/27/46/55/1040274655.db2.gz CMGXHDVLBMDNFT-XFFZJAGNSA-N 0 0 322.452 4.205 20 10 DICDRN FCCCCN(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC001167680857 1040293102 /nfs/dbraw/zinc/29/31/02/1040293102.db2.gz LUPGMQOGESPZKQ-UHFFFAOYSA-N 0 0 321.417 4.276 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CC1(C)CCCC1 ZINC000809147670 1041097877 /nfs/dbraw/zinc/09/78/77/1041097877.db2.gz UWYXBFHHSNASJJ-UHFFFAOYSA-N 0 0 302.462 4.072 20 10 DICDRN COc1cccc(O)c1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000809695103 1041215218 /nfs/dbraw/zinc/21/52/18/1041215218.db2.gz YUUFGDQEYACTRM-YQVWRLOYSA-N 0 0 323.436 4.169 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000809689352 1041223673 /nfs/dbraw/zinc/22/36/73/1041223673.db2.gz YVBWFZIHHIBHBF-UHFFFAOYSA-N 0 0 307.752 4.067 20 10 DICDRN CN(C)c1ccc(CN(Cc2ccoc2)Cc2ccco2)cc1 ZINC000809731745 1041226953 /nfs/dbraw/zinc/22/69/53/1041226953.db2.gz PDFWVRVRQBRXKM-UHFFFAOYSA-N 0 0 310.397 4.141 20 10 DICDRN C[C@H](Nc1ccc(OC(F)F)c(F)c1)c1cc(F)ccc1O ZINC000176985764 1041228449 /nfs/dbraw/zinc/22/84/49/1041228449.db2.gz NQTYAEVDZGPEQX-QMMMGPOBSA-N 0 0 315.266 4.445 20 10 DICDRN COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000176984785 1041228532 /nfs/dbraw/zinc/22/85/32/1041228532.db2.gz KOWIOKZIHQWSDE-MNOVXSKESA-N 0 0 307.340 4.091 20 10 DICDRN Cc1cc(Cl)cc(CNc2ccc(F)c([C@H](C)O)c2)c1O ZINC000809715398 1041229569 /nfs/dbraw/zinc/22/95/69/1041229569.db2.gz BEDNVHILGHKNDN-JTQLQIEISA-N 0 0 309.768 4.159 20 10 DICDRN CC(=O)c1ccc(NCc2ccc(N3CCC(C)CC3)cc2)nc1 ZINC000181068260 1041247550 /nfs/dbraw/zinc/24/75/50/1041247550.db2.gz JTFMBMWEAHWBLR-UHFFFAOYSA-N 0 0 323.440 4.133 20 10 DICDRN C[N@H+](Cc1c([O-])ccc(Cl)c1F)C1CCC(F)(F)CC1 ZINC000809781833 1041254733 /nfs/dbraw/zinc/25/47/33/1041254733.db2.gz BVEOPEIOMIPQSH-UHFFFAOYSA-N 0 0 307.743 4.194 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)NCCC1=CCCCC1 ZINC000066686957 1041293255 /nfs/dbraw/zinc/29/32/55/1041293255.db2.gz HMKYPFXJUJNBDD-UHFFFAOYSA-N 0 0 316.445 4.204 20 10 DICDRN CCC1(C(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)CC1 ZINC001132044662 1041303321 /nfs/dbraw/zinc/30/33/21/1041303321.db2.gz VJDJAWLAYVOWCS-UHFFFAOYSA-N 0 0 310.441 4.209 20 10 DICDRN Cc1cc(CNC(=O)/C=C2/CC[C@H](C)C2)c(C)n1-c1ccccc1 ZINC001132048476 1041308630 /nfs/dbraw/zinc/30/86/30/1041308630.db2.gz WKQTVNNHSWUUNN-LUJRCDHRSA-N 0 0 322.452 4.457 20 10 DICDRN CN(Cc1ccccc1O)C(=O)c1ccc(C2CCCC2)cc1 ZINC000810156705 1041326754 /nfs/dbraw/zinc/32/67/54/1041326754.db2.gz PWSXMMMZXZRMMC-UHFFFAOYSA-N 0 0 309.409 4.322 20 10 DICDRN CC[C@@H](NC1(C(F)F)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810240808 1041355288 /nfs/dbraw/zinc/35/52/88/1041355288.db2.gz GLSRZOXKCJUFAG-SNVBAGLBSA-N 0 0 309.278 4.249 20 10 DICDRN CCOc1ccc(N[C@@H](C)c2cc(OC)ccc2O)cc1F ZINC000181221657 1041361772 /nfs/dbraw/zinc/36/17/72/1041361772.db2.gz YBCRISQQDNPQAY-NSHDSACASA-N 0 0 305.349 4.112 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000695151310 1041380854 /nfs/dbraw/zinc/38/08/54/1041380854.db2.gz MGMMGPAVFTXWMF-JTQLQIEISA-N 0 0 310.171 4.367 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)c1cccc(F)c1 ZINC000175866709 1041449377 /nfs/dbraw/zinc/44/93/77/1041449377.db2.gz WWYUMYUSTFYTKQ-AWEZNQCLSA-N 0 0 315.388 4.074 20 10 DICDRN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1c(F)cccc1F ZINC000314547228 1041496737 /nfs/dbraw/zinc/49/67/37/1041496737.db2.gz JYFYZIKYKQDVBR-QWHCGFSZSA-N 0 0 304.384 4.443 20 10 DICDRN COc1ccc(N(C)Cc2ccc(SC)s2)cc1OC ZINC000811489576 1041524530 /nfs/dbraw/zinc/52/45/30/1041524530.db2.gz HGNFVOHWUXLTSO-UHFFFAOYSA-N 0 0 309.456 4.124 20 10 DICDRN COc1cc(F)c(F)cc1NCc1cc(Cl)cc(C)c1O ZINC000811512057 1041534793 /nfs/dbraw/zinc/53/47/93/1041534793.db2.gz DCPCJBYNEYPYBV-UHFFFAOYSA-N 0 0 313.731 4.253 20 10 DICDRN C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCC1(F)F ZINC000811512504 1041534837 /nfs/dbraw/zinc/53/48/37/1041534837.db2.gz MWMUESSVBRFCIN-QMMMGPOBSA-N 0 0 310.171 4.176 20 10 DICDRN Cc1cc(C(F)(F)F)ncc1NCc1c(O)cccc1Cl ZINC000811839630 1041573084 /nfs/dbraw/zinc/57/30/84/1041573084.db2.gz MRRQSIZNQZXAMH-UHFFFAOYSA-N 0 0 316.710 4.380 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)c1ccsc1Cl ZINC000830140459 1041580563 /nfs/dbraw/zinc/58/05/63/1041580563.db2.gz DGXNIEOOIOBLMB-UHFFFAOYSA-N 0 0 309.818 4.160 20 10 DICDRN CC(C)Oc1cccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])c1 ZINC000756432376 1041586490 /nfs/dbraw/zinc/58/64/90/1041586490.db2.gz RHFBHRUZEOBKCO-CYBMUJFWSA-N 0 0 303.377 4.169 20 10 DICDRN c1[nH]nc2ccc(NCc3ccc(N4CCCCC4)cc3)cc12 ZINC000236678315 1041586543 /nfs/dbraw/zinc/58/65/43/1041586543.db2.gz BIOPLRGHENXBPE-UHFFFAOYSA-N 0 0 306.413 4.165 20 10 DICDRN CCC(CC)N(CC)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000812006364 1041590451 /nfs/dbraw/zinc/59/04/51/1041590451.db2.gz UACSAKUSARQKPR-UHFFFAOYSA-N 0 0 317.477 4.007 20 10 DICDRN Cc1cc(CC(=O)NC[C@]2(C)CC2(C)C)c(C)n1-c1ccccc1 ZINC001133225577 1041609742 /nfs/dbraw/zinc/60/97/42/1041609742.db2.gz UTEUCAIYCXRFKC-NRFANRHFSA-N 0 0 324.468 4.189 20 10 DICDRN Cc1ccccc1[C@H](O)C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000185435370 1041614002 /nfs/dbraw/zinc/61/40/02/1041614002.db2.gz HDGISICOWFCAHZ-FOIQADDNSA-N 0 0 321.420 4.238 20 10 DICDRN COc1ccc(CNc2cccc(SC)c2C)c(O)c1OC ZINC000893283896 1041624529 /nfs/dbraw/zinc/62/45/29/1041624529.db2.gz AXTODWIARXHCBB-UHFFFAOYSA-N 0 0 319.426 4.052 20 10 DICDRN Cc1cc(C)c(NC(=S)NNc2ccccc2F)c(Cl)c1 ZINC000812475084 1041625225 /nfs/dbraw/zinc/62/52/25/1041625225.db2.gz SNZOERSJYWGVLO-UHFFFAOYSA-N 0 0 323.824 4.409 20 10 DICDRN C[C@@H](Nc1cnn(-c2ccccc2F)c1)c1cc(F)ccc1O ZINC000186355681 1041629376 /nfs/dbraw/zinc/62/93/76/1041629376.db2.gz AYWJSPNJDMVBGO-LLVKDONJSA-N 0 0 315.323 4.029 20 10 DICDRN CCOc1ccc(OC)cc1N[C@H](C)c1ccc(F)cc1O ZINC000186443724 1041631213 /nfs/dbraw/zinc/63/12/13/1041631213.db2.gz PXTRBHWYAPBPNX-LLVKDONJSA-N 0 0 305.349 4.112 20 10 DICDRN C=Cc1ccc(CC[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000812735287 1041642221 /nfs/dbraw/zinc/64/22/21/1041642221.db2.gz ZONOAWPOAYSVIW-LBPRGKRZSA-N 0 0 303.352 4.207 20 10 DICDRN CO[C@@](C)(C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])C1CC1 ZINC000812735207 1041642499 /nfs/dbraw/zinc/64/24/99/1041642499.db2.gz XIAMOBAVCGRLKU-VFZGTOFNSA-N 0 0 318.244 4.165 20 10 DICDRN Cc1ccc(CN(Cc2ccco2)Cc2ccccc2O)c(C)n1 ZINC000187243448 1041647215 /nfs/dbraw/zinc/64/72/15/1041647215.db2.gz HYYHSDHPXGDVNX-UHFFFAOYSA-N 0 0 322.408 4.199 20 10 DICDRN COc1ccc(N2CCC(Nc3cc(F)ccc3F)CC2)cc1 ZINC000812842142 1041655569 /nfs/dbraw/zinc/65/55/69/1041655569.db2.gz DTYBSNQVNXTWSD-UHFFFAOYSA-N 0 0 318.367 4.054 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCCC1CC1 ZINC000812881901 1041657854 /nfs/dbraw/zinc/65/78/54/1041657854.db2.gz GODBFUMIMBKSOP-UHFFFAOYSA-N 0 0 302.462 4.070 20 10 DICDRN CCCCC[C@@](C)(CC)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000189049350 1041694913 /nfs/dbraw/zinc/69/49/13/1041694913.db2.gz UPCZPHXTVUEXJO-IFXJQAMLSA-N 0 0 321.461 4.142 20 10 DICDRN Cc1ccc(/C=C\C(=O)N2CCC[C@H](C)c3ccccc32)cn1 ZINC001267924904 1041726568 /nfs/dbraw/zinc/72/65/68/1041726568.db2.gz GIWLKEZLDMZYMR-SSCKCOOKSA-N 0 0 306.409 4.334 20 10 DICDRN C[C@H]([NH2+]Cc1ccc(C2CC2)cc1F)c1ccc(F)cc1[O-] ZINC000813876625 1041741027 /nfs/dbraw/zinc/74/10/27/1041741027.db2.gz YLEYCEIDBVRTAF-NSHDSACASA-N 0 0 303.352 4.399 20 10 DICDRN CC[C@@H]([NH2+]CC(C)(C)COC)c1ccc(Cl)c(Cl)c1[O-] ZINC000813883067 1041742564 /nfs/dbraw/zinc/74/25/64/1041742564.db2.gz PXNRSRNERWTYCK-GFCCVEGCSA-N 0 0 320.260 4.412 20 10 DICDRN COCC(C)(C)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000813882768 1041742606 /nfs/dbraw/zinc/74/26/06/1041742606.db2.gz JWMGTZJGFQCDFC-VIFPVBQESA-N 0 0 306.233 4.022 20 10 DICDRN CC[C@@H]([NH2+]CC(C)(C)COC)c1cc(Cl)cc(Cl)c1[O-] ZINC000813883069 1041742659 /nfs/dbraw/zinc/74/26/59/1041742659.db2.gz PXPKKNXRISPRTO-CYBMUJFWSA-N 0 0 320.260 4.412 20 10 DICDRN CCSc1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000813884446 1041742795 /nfs/dbraw/zinc/74/27/95/1041742795.db2.gz LXEYMYDXRUAWEA-LBPRGKRZSA-N 0 0 305.418 4.494 20 10 DICDRN CN(C)c1ccc(CN[C@@H](c2ccccc2)c2ccccn2)cc1 ZINC000025363346 1041749372 /nfs/dbraw/zinc/74/93/72/1041749372.db2.gz WJJCEIMCRCXHAA-NRFANRHFSA-N 0 0 317.436 4.027 20 10 DICDRN [O-]c1c(Br)cccc1C[NH+](C1CCC1)C1CCC1 ZINC000814177397 1041780194 /nfs/dbraw/zinc/78/01/94/1041780194.db2.gz AKXVESACPRKMNQ-UHFFFAOYSA-N 0 0 310.235 4.062 20 10 DICDRN C[C@]12CC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]1C2(F)F ZINC000814169262 1041782723 /nfs/dbraw/zinc/78/27/23/1041782723.db2.gz FUDVOEKJWSXSOC-YPMHNXCESA-N 0 0 322.182 4.176 20 10 DICDRN O=C1/C(=C\c2cccc(Cl)c2)SC(=S)N1C1CCC1 ZINC000814186190 1041787877 /nfs/dbraw/zinc/78/78/77/1041787877.db2.gz VVSLTLSVXMOYNH-XYOKQWHBSA-N 0 0 309.843 4.094 20 10 DICDRN Cc1ccc(C)c(/C=C2\SC(=S)N(C3CCC3)C2=O)c1 ZINC000814185211 1041788029 /nfs/dbraw/zinc/78/80/29/1041788029.db2.gz BOENTYSFWDFAJO-ZROIWOOFSA-N 0 0 303.452 4.057 20 10 DICDRN CSc1ccc(/C=C2/SC(=S)N(C3CCC3)C2=O)cc1 ZINC000814186317 1041788143 /nfs/dbraw/zinc/78/81/43/1041788143.db2.gz XXUAYKJCSHPCMB-UKTHLTGXSA-N 0 0 321.492 4.162 20 10 DICDRN O=C1/C(=C\c2ccc3occc3c2)SC(=S)N1C1CCC1 ZINC000814185718 1041788285 /nfs/dbraw/zinc/78/82/85/1041788285.db2.gz OASLLIMCEDAOAT-NTEUORMPSA-N 0 0 315.419 4.187 20 10 DICDRN Cc1ccc(/C=C2\SC(=S)N(C3CCC3)C2=O)cc1Cl ZINC000814185632 1041788445 /nfs/dbraw/zinc/78/84/45/1041788445.db2.gz LTZIHNXDZIWLPZ-JYRVWZFOSA-N 0 0 323.870 4.402 20 10 DICDRN CCC(CC)[C@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000236701545 1041807989 /nfs/dbraw/zinc/80/79/89/1041807989.db2.gz FCPUFQLRUVHURD-FQEVSTJZSA-N 0 0 310.441 4.105 20 10 DICDRN CO[C@@H](C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-])C(C)C ZINC000756624960 1041809683 /nfs/dbraw/zinc/80/96/83/1041809683.db2.gz IAEIKPAETFQQJN-SKDRFNHKSA-N 0 0 306.233 4.021 20 10 DICDRN CCOC(=O)c1cc(C(C)C)sc1Nc1ccc(N)cc1 ZINC001159152651 1041821627 /nfs/dbraw/zinc/82/16/27/1041821627.db2.gz AVOKNQDUECMSTI-UHFFFAOYSA-N 0 0 304.415 4.374 20 10 DICDRN CN(C(=O)C1=CC(=O)CS1)C1c2ccccc2-c2ccccc21 ZINC000747943877 1041824970 /nfs/dbraw/zinc/82/49/70/1041824970.db2.gz LWIOPRZKFLHPQH-UHFFFAOYSA-N 0 0 321.401 4.296 20 10 DICDRN CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756643121 1041828637 /nfs/dbraw/zinc/82/86/37/1041828637.db2.gz RNTBWALMMIQQKJ-HZUKXOBISA-N 0 0 324.446 4.015 20 10 DICDRN Cc1cccnc1[C@@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)C(C)C ZINC000815069143 1041911560 /nfs/dbraw/zinc/91/15/60/1041911560.db2.gz AJNDRNHHMZPABS-IBGZPJMESA-N 0 0 311.473 4.251 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1cccc(C(F)(F)F)c1[O-] ZINC000815552521 1041961578 /nfs/dbraw/zinc/96/15/78/1041961578.db2.gz DGDZCFVIAWNNBU-MNOVXSKESA-N 0 0 310.319 4.218 20 10 DICDRN C[C@@H]([NH2+]Cc1cccc(F)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000815556318 1041962609 /nfs/dbraw/zinc/96/26/09/1041962609.db2.gz SKWDYJFDIMDDJD-SNVBAGLBSA-N 0 0 313.294 4.401 20 10 DICDRN C[C@@H]([NH2+]CCc1ccsc1)c1cccc(C(F)(F)F)c1[O-] ZINC000815555618 1041962742 /nfs/dbraw/zinc/96/27/42/1041962742.db2.gz CZYNADJRWNHZGW-SNVBAGLBSA-N 0 0 315.360 4.366 20 10 DICDRN Cc1nc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])cs1 ZINC000815562078 1041964023 /nfs/dbraw/zinc/96/40/23/1041964023.db2.gz WKTMWCOCVZOWMO-MRVPVSSYSA-N 0 0 316.348 4.027 20 10 DICDRN CSCC[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815582178 1041966759 /nfs/dbraw/zinc/96/67/59/1041966759.db2.gz ZMHSEMBLLJDBLV-UWVGGRQHSA-N 0 0 307.381 4.203 20 10 DICDRN COC(C)(C)C[C@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815584094 1041967327 /nfs/dbraw/zinc/96/73/27/1041967327.db2.gz VJCAVJZXUHXAFL-WDEREUQCSA-N 0 0 319.367 4.265 20 10 DICDRN C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1cccc(C(F)(F)F)c1[O-] ZINC000815586468 1041968487 /nfs/dbraw/zinc/96/84/87/1041968487.db2.gz JKQFYUQWQVSGAO-VXGBXAGGSA-N 0 0 324.346 4.260 20 10 DICDRN Cc1cc(C)c([C@@H](C)Nc2ccn(-c3ccccc3)n2)c(O)c1 ZINC000815610243 1041972379 /nfs/dbraw/zinc/97/23/79/1041972379.db2.gz GHASWCNRVXMACO-OAHLLOKOSA-N 0 0 307.397 4.368 20 10 DICDRN C[C@@H]([NH2+]C[C@H]1CCCCS1)c1cccc(C(F)(F)F)c1[O-] ZINC000815614950 1041974158 /nfs/dbraw/zinc/97/41/58/1041974158.db2.gz DWYGGJJTRKJTRR-GHMZBOCLSA-N 0 0 319.392 4.347 20 10 DICDRN COc1cc(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])ccc1Cl ZINC000815657872 1041981162 /nfs/dbraw/zinc/98/11/62/1041981162.db2.gz LIPDDUSTXCJOCG-LLVKDONJSA-N 0 0 323.795 4.087 20 10 DICDRN CC[C@H]([NH2+]CCC1(COC)CCC1)c1cccc(Cl)c1[O-] ZINC000815642326 1041983180 /nfs/dbraw/zinc/98/31/80/1041983180.db2.gz ZDFVAUKOKASWJQ-HNNXBMFYSA-N 0 0 311.853 4.293 20 10 DICDRN C[C@@H](F)CC[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000815645602 1041983223 /nfs/dbraw/zinc/98/32/23/1041983223.db2.gz KWQHXTOORJTFIY-HTQZYQBOSA-N 0 0 324.621 4.207 20 10 DICDRN CC(C)C1([NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])CC1 ZINC000815647372 1041984791 /nfs/dbraw/zinc/98/47/91/1041984791.db2.gz IIODZVBUQDIFBG-VIFPVBQESA-N 0 0 316.214 4.133 20 10 DICDRN CC[C@H]([NH2+]CC(C)(C)[C@@H](O)C(C)C)c1cccc(Cl)c1[O-] ZINC000806147978 1042004337 /nfs/dbraw/zinc/00/43/37/1042004337.db2.gz BQTRLGBBQBAFBV-HOCLYGCPSA-N 0 0 313.869 4.129 20 10 DICDRN CC/C=C(\F)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC001625905019 1042022356 /nfs/dbraw/zinc/02/23/56/1042022356.db2.gz DWHGNPDAYDABHU-WSVATBPTSA-N 0 0 318.436 4.335 20 10 DICDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)Nc1ccccc1 ZINC001135495387 1042040112 /nfs/dbraw/zinc/04/01/12/1042040112.db2.gz AWKYSCDMGVZYAT-UHFFFAOYSA-N 0 0 318.376 4.159 20 10 DICDRN Oc1c(CNc2cccc(-n3cccn3)c2)ccc2ccccc21 ZINC000816479313 1042056019 /nfs/dbraw/zinc/05/60/19/1042056019.db2.gz IGNNWEVIWXFQKY-UHFFFAOYSA-N 0 0 315.376 4.343 20 10 DICDRN CC[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H](C)c1cccc(O)c1 ZINC000816493395 1042058197 /nfs/dbraw/zinc/05/81/97/1042058197.db2.gz ZKEWFYVXXBLBOR-LLVKDONJSA-N 0 0 323.795 4.473 20 10 DICDRN CC(C)Oc1ccc(N(C)Cc2csc([N+](=O)[O-])c2)cc1 ZINC000759929110 1042064380 /nfs/dbraw/zinc/06/43/80/1042064380.db2.gz SZEUOUNFRLXUSF-UHFFFAOYSA-N 0 0 306.387 4.080 20 10 DICDRN COc1cc(NCc2ccc3ccccc3c2O)cc(OC)c1 ZINC000816524053 1042064595 /nfs/dbraw/zinc/06/45/95/1042064595.db2.gz OPSQOCQIKQIAHK-UHFFFAOYSA-N 0 0 309.365 4.175 20 10 DICDRN Oc1c(CNc2ccccc2-n2cccn2)ccc2ccccc21 ZINC000816523821 1042064940 /nfs/dbraw/zinc/06/49/40/1042064940.db2.gz GICIBCOSWWVCMZ-UHFFFAOYSA-N 0 0 315.376 4.343 20 10 DICDRN CC(=O)Nc1ccc(NCc2cc(Cl)c(F)cc2O)cc1C ZINC000816523782 1042065323 /nfs/dbraw/zinc/06/53/23/1042065323.db2.gz DTAWRAAOHOIASY-UHFFFAOYSA-N 0 0 322.767 4.064 20 10 DICDRN CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816586623 1042066006 /nfs/dbraw/zinc/06/60/06/1042066006.db2.gz MWOJVBJRYDBCHG-NSHDSACASA-N 0 0 313.722 4.251 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CSc2ccccc21 ZINC000816552760 1042067612 /nfs/dbraw/zinc/06/76/12/1042067612.db2.gz VHMWTKNNDOTYBX-ZDUSSCGKSA-N 0 0 309.793 4.121 20 10 DICDRN CC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1c(C)noc1C ZINC000816559159 1042067637 /nfs/dbraw/zinc/06/76/37/1042067637.db2.gz ZXGXREUGHXMMIH-ZDUSSCGKSA-N 0 0 312.772 4.030 20 10 DICDRN CC[C@H](C)n1ncc(NCc2cc(Cl)c(F)cc2O)c1C ZINC000816592030 1042067941 /nfs/dbraw/zinc/06/79/41/1042067941.db2.gz VQBDOXZTBZBVLE-VIFPVBQESA-N 0 0 311.788 4.273 20 10 DICDRN Oc1ccccc1CN1CC[C@H](C(F)(F)F)c2ccccc21 ZINC000816629878 1042070003 /nfs/dbraw/zinc/07/00/03/1042070003.db2.gz FGFNQTWGJBLVEJ-AWEZNQCLSA-N 0 0 307.315 4.448 20 10 DICDRN Cc1cc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])ccc1Cl ZINC000816569649 1042070343 /nfs/dbraw/zinc/07/03/43/1042070343.db2.gz SKOYCIWVKATHOT-UHFFFAOYSA-N 0 0 314.187 4.436 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000816569906 1042070782 /nfs/dbraw/zinc/07/07/82/1042070782.db2.gz ARALCIIURCYKEI-UHFFFAOYSA-N 0 0 315.722 4.412 20 10 DICDRN COc1cc(F)c(F)cc1NCc1ccc2ccccc2c1O ZINC000816614652 1042072870 /nfs/dbraw/zinc/07/28/70/1042072870.db2.gz BNZPOFBJVKDEGP-UHFFFAOYSA-N 0 0 315.319 4.444 20 10 DICDRN Cc1nn(C)c2cc(NCc3ccc4ccccc4c3O)ccc12 ZINC000816616542 1042073943 /nfs/dbraw/zinc/07/39/43/1042073943.db2.gz ZGMGHFXOIJUVRS-UHFFFAOYSA-N 0 0 317.392 4.353 20 10 DICDRN CC1(C)CN(Cc2cc(Cl)ccc2O)[C@@H]1c1ccncc1 ZINC000816622086 1042074482 /nfs/dbraw/zinc/07/44/82/1042074482.db2.gz WXWRSHCHMGURAQ-MRXNPFEDSA-N 0 0 302.805 4.024 20 10 DICDRN COc1cc(Cl)cc(C[NH2+]C(C)(C)c2ccccc2C)c1O ZINC000816644862 1042075418 /nfs/dbraw/zinc/07/54/18/1042075418.db2.gz YEFWJRIRNWTJDX-UHFFFAOYSA-N 0 0 319.832 4.388 20 10 DICDRN Oc1cc(F)c(Cl)cc1CNc1ccc([C@H]2CCOC2)cc1 ZINC000816656536 1042076224 /nfs/dbraw/zinc/07/62/24/1042076224.db2.gz VWHFEDAWIXGMIF-LBPRGKRZSA-N 0 0 321.779 4.301 20 10 DICDRN COc1cc(Cl)cc(CNc2ccc(C3CCC3)cn2)c1O ZINC000816661471 1042076451 /nfs/dbraw/zinc/07/64/51/1042076451.db2.gz OEEUNRNWKDQLDM-UHFFFAOYSA-N 0 0 318.804 4.329 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000816649915 1042076748 /nfs/dbraw/zinc/07/67/48/1042076748.db2.gz OHXSEGGWLGQFSX-JSGCOSHPSA-N 0 0 305.780 4.078 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2C[C@]2(C)C(C)C)cc1 ZINC001135732853 1042087052 /nfs/dbraw/zinc/08/70/52/1042087052.db2.gz ITFUBPIAWUQINU-UYAOXDASSA-N 0 0 316.489 4.173 20 10 DICDRN CCC[C@@H](CC)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC001135746008 1042087994 /nfs/dbraw/zinc/08/79/94/1042087994.db2.gz JXVRIFAOUBDSOM-GOSISDBHSA-N 0 0 316.489 4.462 20 10 DICDRN CC(C)Oc1ccc(N(C)Cc2cc(-c3ccco3)on2)cc1 ZINC000759933756 1042089772 /nfs/dbraw/zinc/08/97/72/1042089772.db2.gz PGVSRZLUABTZHY-UHFFFAOYSA-N 0 0 312.369 4.358 20 10 DICDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000817413106 1042108429 /nfs/dbraw/zinc/10/84/29/1042108429.db2.gz UDCQHFCJIOJKAR-SNVBAGLBSA-N 0 0 307.743 4.210 20 10 DICDRN C[C@H]([NH2+]CCCC1(O)CCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817585242 1042117407 /nfs/dbraw/zinc/11/74/07/1042117407.db2.gz DHMBYAMSVKLJAA-JTQLQIEISA-N 0 0 318.244 4.045 20 10 DICDRN CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])CCO1 ZINC000817586250 1042118328 /nfs/dbraw/zinc/11/83/28/1042118328.db2.gz MZCLAPIZFTVJAU-GARJFASQSA-N 0 0 318.244 4.307 20 10 DICDRN CC1(C)[C@@H](c2ccccc2)CCN1C(=O)Nc1ccc(N)cc1 ZINC000817868323 1042127123 /nfs/dbraw/zinc/12/71/23/1042127123.db2.gz UJZCEKWZAPXQQT-QGZVFWFLSA-N 0 0 309.413 4.069 20 10 DICDRN Cc1cc(N)cc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])c1 ZINC000817980393 1042136428 /nfs/dbraw/zinc/13/64/28/1042136428.db2.gz LBXPBMJWOIHGDP-NSHDSACASA-N 0 0 324.346 4.152 20 10 DICDRN Cc1ncc(/C=C/C(=O)N(C)c2cc(Cl)ccc2C)s1 ZINC000818809448 1042160632 /nfs/dbraw/zinc/16/06/32/1042160632.db2.gz PPIQCJOSSRJMFX-VOTSOKGWSA-N 0 0 306.818 4.090 20 10 DICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(F)=C1CCC1 ZINC000819038249 1042169479 /nfs/dbraw/zinc/16/94/79/1042169479.db2.gz BISGGRWETDEZNW-UHFFFAOYSA-N 0 0 316.420 4.043 20 10 DICDRN O[C@@H](CNc1ccc(Nc2ccccc2)cc1)CC(F)(F)F ZINC000819396010 1042179731 /nfs/dbraw/zinc/17/97/31/1042179731.db2.gz VPHXCYKXEQEDLR-OAHLLOKOSA-N 0 0 310.319 4.155 20 10 DICDRN O[C@H](CNc1ccc(Nc2ccccc2)cc1)CC(F)(F)F ZINC000819396009 1042180002 /nfs/dbraw/zinc/18/00/02/1042180002.db2.gz VPHXCYKXEQEDLR-HNNXBMFYSA-N 0 0 310.319 4.155 20 10 DICDRN Cc1ccc(NC(=O)NCc2ccc(N(C)C)cc2)c(Cl)c1 ZINC000053984426 1042208196 /nfs/dbraw/zinc/20/81/96/1042208196.db2.gz NQZBVADNWZEEMD-UHFFFAOYSA-N 0 0 317.820 4.036 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC(CC2CC2)C1 ZINC001167832311 1042230204 /nfs/dbraw/zinc/23/02/04/1042230204.db2.gz TZSHWTYBNBWINO-UHFFFAOYSA-N 0 0 322.452 4.275 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CCC(C)(C)CC1 ZINC001136428376 1042245538 /nfs/dbraw/zinc/24/55/38/1042245538.db2.gz XBHUEOBADHAVME-UHFFFAOYSA-N 0 0 316.489 4.318 20 10 DICDRN CN(c1ccccc1NC(=O)C1=CC(=O)CS1)C1CCCC1 ZINC000822354032 1042283833 /nfs/dbraw/zinc/28/38/33/1042283833.db2.gz GASGIFXDWODCOJ-UHFFFAOYSA-N 0 0 316.426 4.085 20 10 DICDRN COc1ccc(N(C)CCCc2scnc2C)cc1Cl ZINC001167881072 1042327133 /nfs/dbraw/zinc/32/71/33/1042327133.db2.gz IGVRLMCFVAAENZ-UHFFFAOYSA-N 0 0 310.850 4.183 20 10 DICDRN COc1ccc(N(C)CCO[C@H]2CCCC[C@@H]2C)cc1Cl ZINC001167881479 1042327140 /nfs/dbraw/zinc/32/71/40/1042327140.db2.gz NCQBZAKIYWFURS-BBRMVZONSA-N 0 0 311.853 4.380 20 10 DICDRN CCN(CC)c1ccc(CNc2cn(C)nc2C(C)C)cc1 ZINC000318967741 1042328892 /nfs/dbraw/zinc/32/88/92/1042328892.db2.gz CEDKIKXBTMQBTL-UHFFFAOYSA-N 0 0 300.450 4.002 20 10 DICDRN Oc1cccc2c1[C@H]([NH2+]Cc1ccccc1C(F)(F)F)CC2 ZINC000319183632 1042334914 /nfs/dbraw/zinc/33/49/14/1042334914.db2.gz AQCZOGAFQDXGLQ-CQSZACIVSA-N 0 0 307.315 4.188 20 10 DICDRN Nc1ccc(CC(=O)N(Cc2ccccc2)C2CCCCC2)cc1 ZINC000237881460 1042380556 /nfs/dbraw/zinc/38/05/56/1042380556.db2.gz XYAANFYECFXJDJ-UHFFFAOYSA-N 0 0 322.452 4.173 20 10 DICDRN CCN(CC)c1ccc(CNc2ccc(OC)cc2OC)cc1 ZINC000236938167 1042419212 /nfs/dbraw/zinc/41/92/12/1042419212.db2.gz INYVODXOWWXJKG-UHFFFAOYSA-N 0 0 314.429 4.162 20 10 DICDRN CCCOc1ccccc1NCc1cc(OCC)ccc1O ZINC000236964935 1042429844 /nfs/dbraw/zinc/42/98/44/1042429844.db2.gz PQLJJXSFHDWVPV-UHFFFAOYSA-N 0 0 301.386 4.192 20 10 DICDRN CCCCCC[C@@H](C)NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000728944178 1042441108 /nfs/dbraw/zinc/44/11/08/1042441108.db2.gz ODNQRORZLFRUKZ-ZIAGYGMSSA-N 0 0 322.449 4.120 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccc(N(CC)CC)cc1)c1nccs1 ZINC000078004211 1042489279 /nfs/dbraw/zinc/48/92/79/1042489279.db2.gz LTAFWFNSMDHHFF-MRXNPFEDSA-N 0 0 303.475 4.230 20 10 DICDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C(C)C)cc2)c1 ZINC000728984701 1042501035 /nfs/dbraw/zinc/50/10/35/1042501035.db2.gz RYFLGQZATOOBSB-CYBMUJFWSA-N 0 0 313.397 4.015 20 10 DICDRN CN(C)c1ccc(CNc2cccc(OC(F)(F)F)c2)cc1 ZINC000237094836 1042523215 /nfs/dbraw/zinc/52/32/15/1042523215.db2.gz MSSMBVGTCSOSIQ-UHFFFAOYSA-N 0 0 310.319 4.263 20 10 DICDRN Cc1ncsc1CCN1CCCc2cc(OC(F)F)ccc21 ZINC000738306619 1042523286 /nfs/dbraw/zinc/52/32/86/1042523286.db2.gz WJUCOHDRVLMVJZ-UHFFFAOYSA-N 0 0 324.396 4.048 20 10 DICDRN CCN(C(=O)/C=C\c1cccnc1C)c1ccc(Cl)cc1F ZINC001270402282 1042909152 /nfs/dbraw/zinc/90/91/52/1042909152.db2.gz BZIYHFAUKYZMLD-TWGQIWQCSA-N 0 0 318.779 4.249 20 10 DICDRN CC[C@@H](Nc1cc(OC)cc(OC)c1)c1ccc(C)cc1O ZINC000794813296 1043057187 /nfs/dbraw/zinc/05/71/87/1043057187.db2.gz OYQWLLGTXFRXBQ-QGZVFWFLSA-N 0 0 301.386 4.281 20 10 DICDRN CC[C@H](Nc1cc(OC)c(OC)cc1F)c1ccc(C)cc1O ZINC000794813170 1043059916 /nfs/dbraw/zinc/05/99/16/1043059916.db2.gz NYIAIWBQNNNXKD-AWEZNQCLSA-N 0 0 319.376 4.420 20 10 DICDRN CC[C@H](Nc1ccccc1OCCOC)c1ccc(C)cc1O ZINC000794819489 1043062233 /nfs/dbraw/zinc/06/22/33/1043062233.db2.gz WZTQZRFYLCFHRP-INIZCTEOSA-N 0 0 315.413 4.289 20 10 DICDRN CC[C@H]([NH2+]C[C@H](O)c1ccccc1Cl)c1ccc(C)cc1O ZINC000794819487 1043062961 /nfs/dbraw/zinc/06/29/61/1043062961.db2.gz WVNURCFSSGZKFJ-WMZOPIPTSA-N 0 0 319.832 4.128 20 10 DICDRN CO[C@@H](C)c1nc(COc2ccc(N3CCCC3)cc2)cs1 ZINC000178194452 1043123832 /nfs/dbraw/zinc/12/38/32/1043123832.db2.gz XQVUUETWBOLTGU-ZDUSSCGKSA-N 0 0 318.442 4.030 20 10 DICDRN CCc1noc(C)c1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000120929250 1043157151 /nfs/dbraw/zinc/15/71/51/1043157151.db2.gz CSOQSUIXYDFDET-UHFFFAOYSA-N 0 0 323.396 4.205 20 10 DICDRN C[C@@H](Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccccc1O ZINC000183660373 1043168382 /nfs/dbraw/zinc/16/83/82/1043168382.db2.gz DHFVJNLROAVVFM-PBHICJAKSA-N 0 0 313.397 4.123 20 10 DICDRN C[C@@H](Nc1cccc(N2CCCCC2=O)c1)c1ccccc1O ZINC000183650516 1043168572 /nfs/dbraw/zinc/16/85/72/1043168572.db2.gz FLJAYGVWHBKVCQ-CQSZACIVSA-N 0 0 310.397 4.082 20 10 DICDRN C[C@H](c1cccnc1)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000183729495 1043170296 /nfs/dbraw/zinc/17/02/96/1043170296.db2.gz OVEQOMLANLGWCY-SNVBAGLBSA-N 0 0 311.212 4.287 20 10 DICDRN CCN1C(=O)CCc2cc(N[C@H](C)c3ccc(C)cc3O)ccc21 ZINC000183915169 1043174480 /nfs/dbraw/zinc/17/44/80/1043174480.db2.gz GYTOXARKZDCJNV-CQSZACIVSA-N 0 0 324.424 4.173 20 10 DICDRN CCCOCc1ccccc1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185062878 1043195569 /nfs/dbraw/zinc/19/55/69/1043195569.db2.gz WQBSUOAFYUSXBP-AWEZNQCLSA-N 0 0 317.404 4.309 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1cccc(Cl)c1[O-] ZINC000866532025 1043218874 /nfs/dbraw/zinc/21/88/74/1043218874.db2.gz UQHZWBRHADBMFK-XJKSGUPXSA-N 0 0 323.864 4.293 20 10 DICDRN CC[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1cccc(Cl)c1[O-] ZINC000866539171 1043219179 /nfs/dbraw/zinc/21/91/79/1043219179.db2.gz HVGGIJDSDSABAJ-QRTARXTBSA-N 0 0 323.864 4.149 20 10 DICDRN C[C@H]([NH2+][C@H]1CCCOc2cc(F)ccc21)c1ccc(F)cc1[O-] ZINC000186374235 1043222087 /nfs/dbraw/zinc/22/20/87/1043222087.db2.gz CZZWDHJGFOOPLF-ZBEGNZNMSA-N 0 0 319.351 4.235 20 10 DICDRN COc1cc(F)ccc1NCc1ccc(N2CCCCC2)cc1 ZINC000237187191 1043224328 /nfs/dbraw/zinc/22/43/28/1043224328.db2.gz DOXPRIFGQKHBMO-UHFFFAOYSA-N 0 0 314.404 4.437 20 10 DICDRN CCOc1ccc(N[C@H](C)c2cc(Cl)ccc2O)cc1CO ZINC000186421956 1043224653 /nfs/dbraw/zinc/22/46/53/1043224653.db2.gz PHLDXUNPBJCKSZ-LLVKDONJSA-N 0 0 321.804 4.110 20 10 DICDRN CC(C)[C@H](C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-])c1cccnc1 ZINC000187750924 1043249806 /nfs/dbraw/zinc/24/98/06/1043249806.db2.gz HEOKMUJZZOQQMA-DOMZBBRYSA-N 0 0 320.383 4.156 20 10 DICDRN C[C@@H]([NH2+][C@H]1CCCOc2ccccc21)c1ccc(F)c(F)c1[O-] ZINC000187685445 1043249982 /nfs/dbraw/zinc/24/99/82/1043249982.db2.gz DMVKJHZFFASKRL-ABAIWWIYSA-N 0 0 319.351 4.235 20 10 DICDRN Cc1cc([C@H](C)NC(=O)N[C@@H](C)c2ccccc2O)c(C)s1 ZINC000868038278 1043270575 /nfs/dbraw/zinc/27/05/75/1043270575.db2.gz OYEDTMRMSUKYCZ-RYUDHWBXSA-N 0 0 318.442 4.192 20 10 DICDRN Cc1ccc(C[C@@]2(C)CCCN2C(=O)Nc2ccc(N)cc2)cc1 ZINC000868162275 1043273659 /nfs/dbraw/zinc/27/36/59/1043273659.db2.gz GOURGSDZXDKSPZ-HXUWFJFHSA-N 0 0 323.440 4.206 20 10 DICDRN Cc1noc(C)c1C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192733235 1043274466 /nfs/dbraw/zinc/27/44/66/1043274466.db2.gz OJCRCXLVJVCHAI-ZETCQYMHSA-N 0 0 315.200 4.155 20 10 DICDRN C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cc(F)cc(F)c1 ZINC000122450062 1043305881 /nfs/dbraw/zinc/30/58/81/1043305881.db2.gz ZDXKISXNRQVAEA-NSHDSACASA-N 0 0 308.347 4.021 20 10 DICDRN COc1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)c(F)c1 ZINC000122669761 1043319943 /nfs/dbraw/zinc/31/99/43/1043319943.db2.gz BKTHICJJRCHRQS-AWEZNQCLSA-N 0 0 316.420 4.060 20 10 DICDRN CC(C)c1ccc(/C=C/CC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871203654 1043367646 /nfs/dbraw/zinc/36/76/46/1043367646.db2.gz PJGPXEBAEPLILL-HWKANZROSA-N 0 0 321.420 4.461 20 10 DICDRN CO[C@@H](C)c1nc(CNc2ccccc2NC(C)C)cs1 ZINC000871846332 1043404861 /nfs/dbraw/zinc/40/48/61/1043404861.db2.gz WTFKRTAQCYTDPP-LBPRGKRZSA-N 0 0 305.447 4.283 20 10 DICDRN Cc1cccc(C)c1NC(=O)CNc1ccccc1NC(C)C ZINC000871847321 1043405122 /nfs/dbraw/zinc/40/51/22/1043405122.db2.gz OYCNBNCYYKQLKL-UHFFFAOYSA-N 0 0 311.429 4.174 20 10 DICDRN Cc1cccc(-c2noc(CNc3ccccc3NC(C)C)n2)c1 ZINC000871847912 1043406885 /nfs/dbraw/zinc/40/68/85/1043406885.db2.gz ZTXNGQQSPHOQLK-UHFFFAOYSA-N 0 0 322.412 4.477 20 10 DICDRN C[C@H](NCc1ccc(N2CCC(C)CC2)cc1)c1cscn1 ZINC000271179798 1043407872 /nfs/dbraw/zinc/40/78/72/1043407872.db2.gz VNZWHROZFRDSKF-HNNXBMFYSA-N 0 0 315.486 4.230 20 10 DICDRN C[C@@H](CCc1ccco1)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000019998267 1043463732 /nfs/dbraw/zinc/46/37/32/1043463732.db2.gz WNWBSVVLPRYTCP-JTQLQIEISA-N 0 0 314.212 4.403 20 10 DICDRN C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(N)cc1 ZINC000926143919 1043534643 /nfs/dbraw/zinc/53/46/43/1043534643.db2.gz QUOSSOKGIVERSW-KSSFIOAISA-N 0 0 309.413 4.069 20 10 DICDRN C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(N)cc1 ZINC000926143918 1043535163 /nfs/dbraw/zinc/53/51/63/1043535163.db2.gz QUOSSOKGIVERSW-KDOFPFPSSA-N 0 0 309.413 4.069 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](CC)CC(F)(F)F ZINC000825679248 1043542312 /nfs/dbraw/zinc/54/23/12/1043542312.db2.gz OOKNIJYOMUCHLM-LBPRGKRZSA-N 0 0 317.351 4.109 20 10 DICDRN CN(C)c1ccc(CN(C)C(=O)c2sccc2C(F)F)cc1 ZINC000873860345 1043561973 /nfs/dbraw/zinc/56/19/73/1043561973.db2.gz JGZFYESDQRKFOP-UHFFFAOYSA-N 0 0 324.396 4.024 20 10 DICDRN Nc1ccc(CC(=O)N(Cc2ccccc2)c2ccccc2)cc1 ZINC000020185834 1043567167 /nfs/dbraw/zinc/56/71/67/1043567167.db2.gz NHBUQOZCZBMPHY-UHFFFAOYSA-N 0 0 316.404 4.045 20 10 DICDRN CC[C@H]([NH2+][C@H]1CCCc2cccnc21)c1ccc(F)cc1[O-] ZINC000927064489 1043679407 /nfs/dbraw/zinc/67/94/07/1043679407.db2.gz VSUDHXPVBGJINM-HOTGVXAUSA-N 0 0 300.377 4.045 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)Cc1cccnc1Cl ZINC000729542313 1043694478 /nfs/dbraw/zinc/69/44/78/1043694478.db2.gz DOCCWSUMOKWAMN-UHFFFAOYSA-N 0 0 317.864 4.212 20 10 DICDRN Cc1cc(O)c(CNc2ccc(F)c([C@H](C)O)c2)cc1Cl ZINC000825893170 1043705889 /nfs/dbraw/zinc/70/58/89/1043705889.db2.gz QQYQMHHHUHQXAA-JTQLQIEISA-N 0 0 309.768 4.159 20 10 DICDRN Cc1cncc(/C=C/C(=O)N(C)c2c(Cl)cccc2Cl)c1 ZINC000093263121 1043732476 /nfs/dbraw/zinc/73/24/76/1043732476.db2.gz RHLKQMGQFPOVCH-VOTSOKGWSA-N 0 0 321.207 4.373 20 10 DICDRN CN(C(=O)CCCCCc1cccs1)c1ccc(N)cc1 ZINC000877078287 1043740627 /nfs/dbraw/zinc/74/06/27/1043740627.db2.gz KZBNQSYBJOTNFH-UHFFFAOYSA-N 0 0 302.443 4.096 20 10 DICDRN Cc1nc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)cs1 ZINC000126530936 1043763070 /nfs/dbraw/zinc/76/30/70/1043763070.db2.gz FPKSBCIWDMYJCK-AWEZNQCLSA-N 0 0 315.486 4.293 20 10 DICDRN COc1ccccc1[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000877758839 1043795004 /nfs/dbraw/zinc/79/50/04/1043795004.db2.gz NBMAUCFZOCWRJO-JTQLQIEISA-N 0 0 309.768 4.044 20 10 DICDRN CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(N(C)C)cc1C ZINC000877843132 1043807817 /nfs/dbraw/zinc/80/78/17/1043807817.db2.gz NLWAKIJRMBMLCO-LJQANCHMSA-N 0 0 323.440 4.038 20 10 DICDRN CCCN(Cc1coc(C(C)(C)C)n1)Cc1ccccc1O ZINC000929753568 1043837570 /nfs/dbraw/zinc/83/75/70/1043837570.db2.gz SGHIQNQEYUPXLK-UHFFFAOYSA-N 0 0 302.418 4.090 20 10 DICDRN Cc1cc(C(=O)Nc2c(C)cccc2F)c(C)n1-c1ccccn1 ZINC000777829679 1043842274 /nfs/dbraw/zinc/84/22/74/1043842274.db2.gz MCLMHJOBLFXRMH-UHFFFAOYSA-N 0 0 323.371 4.189 20 10 DICDRN Cc1cc(O)c(CNc2ccc([C@@H]3CCOC3)cc2)cc1Cl ZINC000826015785 1043847627 /nfs/dbraw/zinc/84/76/27/1043847627.db2.gz CKNVIAQFSABBJO-CQSZACIVSA-N 0 0 317.816 4.470 20 10 DICDRN Cc1ccc(/C=C\C(=O)N(C)c2ccc(C)c(Cl)c2)cn1 ZINC000777863302 1043862790 /nfs/dbraw/zinc/86/27/90/1043862790.db2.gz YHUXTLKRCMBCNJ-CLFYSBASSA-N 0 0 300.789 4.028 20 10 DICDRN Cc1conc1CN(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000878327099 1043870139 /nfs/dbraw/zinc/87/01/39/1043870139.db2.gz XSXYKNYZBJMYHK-INIZCTEOSA-N 0 0 322.408 4.452 20 10 DICDRN Cc1noc(C)c1CCSc1ncc(-c2ccccc2)n1C ZINC000127426874 1043931222 /nfs/dbraw/zinc/93/12/22/1043931222.db2.gz WVTBNULIRNPXAE-UHFFFAOYSA-N 0 0 313.426 4.027 20 10 DICDRN COc1ccc(CN[C@H](Cc2ccccc2)c2ncco2)cc1C ZINC000930893735 1043972520 /nfs/dbraw/zinc/97/25/20/1043972520.db2.gz IRPCDSGNAFGILB-GOSISDBHSA-N 0 0 322.408 4.065 20 10 DICDRN Cc1cccc(-c2nnc([C@@H](C)N[C@@H](C)c3ccccc3O)o2)c1 ZINC000879651773 1043978723 /nfs/dbraw/zinc/97/87/23/1043978723.db2.gz KDNXDDMRTJUPDB-UONOGXRCSA-N 0 0 323.396 4.162 20 10 DICDRN Cc1cc(O)c(C[NH2+]Cc2cnccc2C(C)(C)C)cc1Cl ZINC000826122262 1043990130 /nfs/dbraw/zinc/99/01/30/1043990130.db2.gz ZMSVAGUGPUJEEJ-UHFFFAOYSA-N 0 0 318.848 4.336 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)Nc1csc(C)c1 ZINC000880640593 1044052580 /nfs/dbraw/zinc/05/25/80/1044052580.db2.gz QOAZBHQOLNYNIO-UHFFFAOYSA-N 0 0 304.415 4.206 20 10 DICDRN CC[C@H](C)c1cccc(NC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000931994586 1044091900 /nfs/dbraw/zinc/09/19/00/1044091900.db2.gz JXIVMKRSBRNRRX-ZDUSSCGKSA-N 0 0 310.397 4.453 20 10 DICDRN Cc1ccc(O)c(CN[C@H](CCc2ccccc2)C(F)(F)F)c1 ZINC000778122331 1044159721 /nfs/dbraw/zinc/15/97/21/1044159721.db2.gz FLGMOWQTAKBEGL-QGZVFWFLSA-N 0 0 323.358 4.354 20 10 DICDRN Oc1cccc(Cl)c1C[NH2+]Cc1ccc(Cl)cc1F ZINC000778180435 1044202050 /nfs/dbraw/zinc/20/20/50/1044202050.db2.gz TUHGRBBRNHJUAR-UHFFFAOYSA-N 0 0 300.160 4.128 20 10 DICDRN [O-]c1c(F)cc(F)cc1C[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000882992988 1044211397 /nfs/dbraw/zinc/21/13/97/1044211397.db2.gz CCOUVXKYGZGODV-UHFFFAOYSA-N 0 0 309.743 4.103 20 10 DICDRN COc1ccc(N(C)Cc2ccc3c(c2)COC3)cc1Cl ZINC000778217790 1044225113 /nfs/dbraw/zinc/22/51/13/1044225113.db2.gz KIRMZXDAFUSWRH-UHFFFAOYSA-N 0 0 303.789 4.015 20 10 DICDRN Oc1c(F)cc(F)cc1CNc1cccc(C2CCOCC2)c1 ZINC000883190120 1044232281 /nfs/dbraw/zinc/23/22/81/1044232281.db2.gz VSSIDVRPVXJHLD-UHFFFAOYSA-N 0 0 319.351 4.177 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccc(C)nc1Cl)c1ccc(F)cc1[O-] ZINC000883301982 1044263096 /nfs/dbraw/zinc/26/30/96/1044263096.db2.gz NSANHICYUJRSCG-CQSZACIVSA-N 0 0 308.784 4.129 20 10 DICDRN CC[C@@H]([NH2+][C@H]1C[C@@H](COC)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000883320068 1044271155 /nfs/dbraw/zinc/27/11/55/1044271155.db2.gz ZYJVOCICQXWBAX-OLUVUFQESA-N 0 0 318.244 4.165 20 10 DICDRN C[C@H]([NH2+]CC1CC(F)(F)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000293387447 1044279313 /nfs/dbraw/zinc/27/93/13/1044279313.db2.gz IPEQVRKPYTYSON-ZETCQYMHSA-N 0 0 310.171 4.395 20 10 DICDRN CC[C@H]([NH2+][C@@H](CC)[C@@H]1CCCOC1)c1cccc(Cl)c1[O-] ZINC000883352672 1044281607 /nfs/dbraw/zinc/28/16/07/1044281607.db2.gz GHDSRGFBMITIKL-KCXAZCMYSA-N 0 0 311.853 4.292 20 10 DICDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C(C)(F)F ZINC000293445349 1044285631 /nfs/dbraw/zinc/28/56/31/1044285631.db2.gz KAQWRIIXRZWYIA-CYBMUJFWSA-N 0 0 319.351 4.137 20 10 DICDRN CC[C@H]([NH2+]Cc1cnc(C)o1)c1cc(Cl)cc(Cl)c1[O-] ZINC000840794587 1044303055 /nfs/dbraw/zinc/30/30/55/1044303055.db2.gz MMHZLRNODDMFIL-ZDUSSCGKSA-N 0 0 315.200 4.236 20 10 DICDRN CCOc1ccc(N[C@@H](C)c2ccc(C)cc2O)cc1OC ZINC000192782420 1044308649 /nfs/dbraw/zinc/30/86/49/1044308649.db2.gz FJQLPFJGCVBXPI-ZDUSSCGKSA-N 0 0 301.386 4.281 20 10 DICDRN CCOc1cc(N[C@H](C)c2cc(C)ccc2O)ccc1OC ZINC000192819658 1044315441 /nfs/dbraw/zinc/31/54/41/1044315441.db2.gz GAWXTGDEMMTJAL-CYBMUJFWSA-N 0 0 301.386 4.281 20 10 DICDRN Cc1ccoc1C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000293720478 1044319637 /nfs/dbraw/zinc/31/96/37/1044319637.db2.gz POHNGPJLXQUWCB-VIFPVBQESA-N 0 0 300.185 4.451 20 10 DICDRN C[C@H]([N@H+](C)Cc1cccc(Br)c1[O-])C(C)(C)C ZINC000132562983 1044329205 /nfs/dbraw/zinc/32/92/05/1044329205.db2.gz VZRTXZGJNYYCFF-JTQLQIEISA-N 0 0 300.240 4.021 20 10 DICDRN CC[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])CC(F)(F)F ZINC000840877151 1044420995 /nfs/dbraw/zinc/42/09/95/1044420995.db2.gz UPKFVNILZOMCKY-IUCAKERBSA-N 0 0 311.294 4.300 20 10 DICDRN COC1([C@H](C)[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])CCC1 ZINC000840882906 1044457252 /nfs/dbraw/zinc/45/72/52/1044457252.db2.gz BYCJSOIAYMKGMJ-ZJUUUORDSA-N 0 0 318.244 4.307 20 10 DICDRN C[C@H]([NH2+]Cc1cc(Br)ccc1F)c1ccccc1O ZINC000041069228 1044463726 /nfs/dbraw/zinc/46/37/26/1044463726.db2.gz LSMPNUQZRANIBG-JTQLQIEISA-N 0 0 324.193 4.145 20 10 DICDRN C[C@@H](Nc1ccc([C@@H]2CCOC2)cc1)c1ccc(F)cc1O ZINC000294893986 1044469348 /nfs/dbraw/zinc/46/93/48/1044469348.db2.gz FCZRFWSWUZTGOY-TZMCWYRMSA-N 0 0 301.361 4.208 20 10 DICDRN CCCN(CCC)C(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C ZINC000303222446 1044475020 /nfs/dbraw/zinc/47/50/20/1044475020.db2.gz VPAAYXZCQCUXKH-UHFFFAOYSA-N 0 0 323.440 4.228 20 10 DICDRN C[C@@H](Nc1ccc([C@H]2CCOC2)cc1)c1cc(F)ccc1O ZINC000295089111 1044488951 /nfs/dbraw/zinc/48/89/51/1044488951.db2.gz USEOWJBQPYNMFQ-OCCSQVGLSA-N 0 0 301.361 4.208 20 10 DICDRN CN(C(=O)CCCc1ccc(C2CC2)cc1)c1ccc(N)cc1 ZINC000884441660 1044529486 /nfs/dbraw/zinc/52/94/86/1044529486.db2.gz NANOYNHHNISZTO-UHFFFAOYSA-N 0 0 308.425 4.132 20 10 DICDRN CC(C)(C)/C=C/C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000136906779 1044613511 /nfs/dbraw/zinc/61/35/11/1044613511.db2.gz NKAFSUWHKHLVOY-ZHACJKMWSA-N 0 0 313.397 4.116 20 10 DICDRN COc1ccc([C@H](C)[NH2+][C@H](C)c2c([O-])cccc2F)cc1F ZINC000886493477 1044646178 /nfs/dbraw/zinc/64/61/78/1044646178.db2.gz NGEMMSGYFIUDKX-WDEREUQCSA-N 0 0 307.340 4.091 20 10 DICDRN CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2c([O-])cccc2F)cc1 ZINC000886495004 1044647837 /nfs/dbraw/zinc/64/78/37/1044647837.db2.gz DGWHNICTWBCFBK-STQMWFEESA-N 0 0 303.377 4.342 20 10 DICDRN COc1ccc([C@H]([NH2+][C@H](C)c2c([O-])cccc2F)C2CC2)cc1 ZINC000886495240 1044648750 /nfs/dbraw/zinc/64/87/50/1044648750.db2.gz OQNZFPPASNPGFM-CWTRNNRKSA-N 0 0 315.388 4.342 20 10 DICDRN COc1ccc([C@H]([NH2+][C@@H](C)c2c([O-])cccc2F)C2CC2)cc1 ZINC000886495241 1044649310 /nfs/dbraw/zinc/64/93/10/1044649310.db2.gz OQNZFPPASNPGFM-HXPMCKFVSA-N 0 0 315.388 4.342 20 10 DICDRN CC(C)Oc1cccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)c1 ZINC000886506226 1044649976 /nfs/dbraw/zinc/64/99/76/1044649976.db2.gz HSBGOTDKFDFULD-ZDUSSCGKSA-N 0 0 303.377 4.169 20 10 DICDRN COc1ccc(F)cc1[C@@H](C)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886506147 1044650715 /nfs/dbraw/zinc/65/07/15/1044650715.db2.gz DSVGGCPPWDSVTF-GHMZBOCLSA-N 0 0 307.340 4.091 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCCOc2ccc(F)cc21)c1c([O-])cccc1F ZINC000886514317 1044653275 /nfs/dbraw/zinc/65/32/75/1044653275.db2.gz MUNQJOMSJKZEIE-IAQYHMDHSA-N 0 0 319.351 4.235 20 10 DICDRN Cc1cccnc1[C@H]([NH2+][C@H](C)c1c([O-])cccc1F)C(C)C ZINC000886527999 1044654659 /nfs/dbraw/zinc/65/46/59/1044654659.db2.gz DXATZIQZICVCPQ-CXAGYDPISA-N 0 0 302.393 4.283 20 10 DICDRN CSc1ccc(F)cc1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886535122 1044656552 /nfs/dbraw/zinc/65/65/52/1044656552.db2.gz VDLXIWGFHRVUKB-JTQLQIEISA-N 0 0 309.381 4.243 20 10 DICDRN COc1cc(C)c(N[C@H](C)c2c(O)cccc2F)cc1OC ZINC000886564357 1044661244 /nfs/dbraw/zinc/66/12/44/1044661244.db2.gz UTNJPCCDKBVRBT-LLVKDONJSA-N 0 0 305.349 4.030 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCCOc2c(F)cccc21)c1c([O-])cccc1F ZINC000886586392 1044664634 /nfs/dbraw/zinc/66/46/34/1044664634.db2.gz QNAPVLHMPIGRBX-XHDPSFHLSA-N 0 0 319.351 4.235 20 10 DICDRN CSCc1cccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)c1 ZINC000886597176 1044666182 /nfs/dbraw/zinc/66/61/82/1044666182.db2.gz YGVCFHYKBSIUIZ-LBPRGKRZSA-N 0 0 305.418 4.245 20 10 DICDRN COC[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1ccc(Cl)cc1 ZINC000886603730 1044668617 /nfs/dbraw/zinc/66/86/17/1044668617.db2.gz UWBPTCSEMZNHBS-NHYWBVRUSA-N 0 0 323.795 4.223 20 10 DICDRN C[C@@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)c1c([O-])cccc1F ZINC000886616965 1044670066 /nfs/dbraw/zinc/67/00/66/1044670066.db2.gz AAFUEYBYXNZCKU-LALPHHSUSA-N 0 0 301.361 4.094 20 10 DICDRN C[C@@H](Nc1ccc([C@@H]2CCOC2)cc1)c1c(O)cccc1F ZINC000886615736 1044670608 /nfs/dbraw/zinc/67/06/08/1044670608.db2.gz MJQLKFGOHGTQKT-TZMCWYRMSA-N 0 0 301.361 4.208 20 10 DICDRN C[C@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1c([O-])cccc1F ZINC000886641796 1044671864 /nfs/dbraw/zinc/67/18/64/1044671864.db2.gz SBIJOHDQUSOHGK-KPZWWZAWSA-N 0 0 300.377 4.118 20 10 DICDRN C[C@@H]([NH2+]Cc1ccsc1C(F)(F)F)c1c([O-])cccc1F ZINC000886645370 1044671977 /nfs/dbraw/zinc/67/19/77/1044671977.db2.gz XTVLHHBSCWNUCG-MRVPVSSYSA-N 0 0 319.323 4.462 20 10 DICDRN C[C@H]([NH2+]Cc1ccsc1C(F)(F)F)c1c([O-])cccc1F ZINC000886645371 1044673299 /nfs/dbraw/zinc/67/32/99/1044673299.db2.gz XTVLHHBSCWNUCG-QMMMGPOBSA-N 0 0 319.323 4.462 20 10 DICDRN CCC(=O)N(C)c1ccc(N[C@@H](C)c2c(O)cccc2F)cc1 ZINC000886652097 1044674805 /nfs/dbraw/zinc/67/48/05/1044674805.db2.gz ZUNFZKAIPMYRLW-LBPRGKRZSA-N 0 0 316.376 4.077 20 10 DICDRN Cc1cccc(C)c1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000043357580 1044688880 /nfs/dbraw/zinc/68/88/80/1044688880.db2.gz GUDNHNYXDWHBSQ-UHFFFAOYSA-N 0 0 323.440 4.225 20 10 DICDRN Cc1ccc(O)c([C@@H](C)Nc2cccc([C@H]3CCCC(=O)N3)c2)c1 ZINC000886806677 1044704927 /nfs/dbraw/zinc/70/49/27/1044704927.db2.gz XLMUAAHAUKHSHO-RDTXWAMCSA-N 0 0 324.424 4.215 20 10 DICDRN Cc1ccc([C@H](C)Nc2cccc([C@@H]3CCCC(=O)N3)c2)c(O)c1 ZINC000886806698 1044705122 /nfs/dbraw/zinc/70/51/22/1044705122.db2.gz XSDDXTZTGLYFHN-KSSFIOAISA-N 0 0 324.424 4.215 20 10 DICDRN CN(C)c1ccc(/C=C/c2ccc3c(cccc3[N+](=O)[O-])n2)cc1 ZINC000007621246 1044706093 /nfs/dbraw/zinc/70/60/93/1044706093.db2.gz KWOZPPJZEZEKIE-RMKNXTFCSA-N 0 0 319.364 4.379 20 10 DICDRN Cc1cc(C(=O)N2CC[C@H](C)[C@H]2C)c(C)n1-c1ccccc1C ZINC001137244525 1044788145 /nfs/dbraw/zinc/78/81/45/1044788145.db2.gz RSMSYKVQOKDGLH-XJKSGUPXSA-N 0 0 310.441 4.273 20 10 DICDRN CS[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc3ccccc3c2O)C1 ZINC000300419614 1044822613 /nfs/dbraw/zinc/82/26/13/1044822613.db2.gz YJQCKZGCMRYBBN-VHDGCEQUSA-N 0 0 301.455 4.480 20 10 DICDRN COCC1CN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000887581757 1044866581 /nfs/dbraw/zinc/86/65/81/1044866581.db2.gz GGZSQIIINFJLCN-UHFFFAOYSA-N 0 0 324.384 4.212 20 10 DICDRN CN(C)c1ccc(CNC(=O)Nc2cccc3ccccc32)cc1 ZINC000011006014 1044868983 /nfs/dbraw/zinc/86/89/83/1044868983.db2.gz HYZLIITXDHPZKG-UHFFFAOYSA-N 0 0 319.408 4.228 20 10 DICDRN C[C@H]([NH2+]Cc1ccc(-c2cccnc2)cc1)c1ccc(F)cc1[O-] ZINC000371841622 1044892328 /nfs/dbraw/zinc/89/23/28/1044892328.db2.gz UNHLZVLBTPJGEY-AWEZNQCLSA-N 0 0 322.383 4.444 20 10 DICDRN Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000134916994 1044973278 /nfs/dbraw/zinc/97/32/78/1044973278.db2.gz ANHONNRYBBGPRO-VXGBXAGGSA-N 0 0 319.424 4.203 20 10 DICDRN CC(C)C[C@H](NC(=O)CSc1nccs1)c1ccccc1 ZINC000047250116 1045033511 /nfs/dbraw/zinc/03/35/11/1045033511.db2.gz SZYGHBRMEPCWTD-AWEZNQCLSA-N 0 0 320.483 4.139 20 10 DICDRN CCCCCC[C@](C)(CC)C(=O)NCc1ccc(O)c(O)c1 ZINC000778924278 1045035874 /nfs/dbraw/zinc/03/58/74/1045035874.db2.gz YBDXBNGZVWGOKX-SFHVURJKSA-N 0 0 307.434 4.101 20 10 DICDRN C[C@@H](NC(=O)c1cscc1C(F)F)c1ccc(N(C)C)cc1 ZINC000890031248 1045099528 /nfs/dbraw/zinc/09/95/28/1045099528.db2.gz SGTDOFMYVRDAOT-SNVBAGLBSA-N 0 0 324.396 4.243 20 10 DICDRN Cc1nnc(NCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)o1 ZINC000777504772 1045159273 /nfs/dbraw/zinc/15/92/73/1045159273.db2.gz GRRDYKIYFJAACZ-UHFFFAOYSA-N 0 0 317.433 4.291 20 10 DICDRN CCC(CC)c1nnc(NCc2ccc(N(C)C)cc2)s1 ZINC000777508743 1045163836 /nfs/dbraw/zinc/16/38/36/1045163836.db2.gz OYVKUAHJMQVJMA-UHFFFAOYSA-N 0 0 304.463 4.120 20 10 DICDRN Cc1cc(O)c(CNc2ccc(SC(F)F)nc2)cc1C ZINC000777520981 1045166703 /nfs/dbraw/zinc/16/67/03/1045166703.db2.gz KBFBAXNPHHUDAS-UHFFFAOYSA-N 0 0 310.369 4.331 20 10 DICDRN CCCCCNC(=O)Nc1c(C)cc(Br)cc1C ZINC000048488344 1045225694 /nfs/dbraw/zinc/22/56/94/1045225694.db2.gz HVBLKHLNSZMHQO-UHFFFAOYSA-N 0 0 313.239 4.378 20 10 DICDRN CCN(C)c1ccc([C@@H](C)Nc2cc(OC)cc(OC)c2)cc1 ZINC000777545748 1045225425 /nfs/dbraw/zinc/22/54/25/1045225425.db2.gz VZUBFEJPSHOMKC-CQSZACIVSA-N 0 0 314.429 4.333 20 10 DICDRN C[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccc(Cl)c(Cl)c1[O-] ZINC000779077749 1045251674 /nfs/dbraw/zinc/25/16/74/1045251674.db2.gz BIQURIVETJZHMJ-NXEZZACHSA-N 0 0 318.244 4.307 20 10 DICDRN Cc1ccc([C@H](C)[NH2+]Cc2cccc(Br)c2[O-])cc1 ZINC000048797367 1045275486 /nfs/dbraw/zinc/27/54/86/1045275486.db2.gz MSWIJUJAQQFTNC-LBPRGKRZSA-N 0 0 320.230 4.314 20 10 DICDRN CC(C)[C@H](Sc1nccs1)C(=O)Nc1ccccc1F ZINC000048876201 1045284302 /nfs/dbraw/zinc/28/43/02/1045284302.db2.gz NJOBLUSKXGQCFI-LBPRGKRZSA-N 0 0 310.419 4.038 20 10 DICDRN Cc1cc(Cl)ccc1NC(=O)[C@@H](C)Sc1nccs1 ZINC000048875715 1045284463 /nfs/dbraw/zinc/28/44/63/1045284463.db2.gz QYOKHBJBQACLHF-SECBINFHSA-N 0 0 312.847 4.224 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)c1ncccc1F)c1cccc(Cl)c1[O-] ZINC000528037909 1045295690 /nfs/dbraw/zinc/29/56/90/1045295690.db2.gz MVYVBWUYOMYJEU-IINYFYTJSA-N 0 0 308.784 4.382 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC3(C2)CCCC3)cc1 ZINC000779223304 1045374957 /nfs/dbraw/zinc/37/49/57/1045374957.db2.gz BQWSSRGYEUJGIX-UHFFFAOYSA-N 0 0 308.425 4.110 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCC12CC2 ZINC000529306869 1045469669 /nfs/dbraw/zinc/46/96/69/1045469669.db2.gz VDODXTMAIOPSTJ-INIZCTEOSA-N 0 0 301.430 4.101 20 10 DICDRN CC[C@@H](C)N(C)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000750575628 1045536509 /nfs/dbraw/zinc/53/65/09/1045536509.db2.gz WYLFOGPMFXBBHR-GFCCVEGCSA-N 0 0 302.393 4.104 20 10 DICDRN O=C1N=C(N2CCCCC2)S/C1=C\c1ccccc1C1CC1 ZINC000750817062 1045558498 /nfs/dbraw/zinc/55/84/98/1045558498.db2.gz BKHDBZWBVBQAKR-VBKFSLOCSA-N 0 0 312.438 4.020 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC000750859901 1045563385 /nfs/dbraw/zinc/56/33/85/1045563385.db2.gz SWNDIYANLUYIIS-AEFFLSMTSA-N 0 0 315.457 4.369 20 10 DICDRN Cc1c(F)c(F)ccc1NCc1ccc(N2CCCC2)cc1 ZINC001202789586 1045571077 /nfs/dbraw/zinc/57/10/77/1045571077.db2.gz NHXXJFHJAPIKLL-UHFFFAOYSA-N 0 0 302.368 4.486 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(C)c(C)c1 ZINC001626155861 1045574026 /nfs/dbraw/zinc/57/40/26/1045574026.db2.gz CKYRWDBNOFAMHS-UHFFFAOYSA-N 0 0 311.425 4.452 20 10 DICDRN CCC(C)(C)CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000751299245 1045599018 /nfs/dbraw/zinc/59/90/18/1045599018.db2.gz LEHOBRKRAMYRBD-UHFFFAOYSA-N 0 0 322.412 4.161 20 10 DICDRN CCCC[C@@H](C)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000800328054 1045607128 /nfs/dbraw/zinc/60/71/28/1045607128.db2.gz FXTBDGPOWSYJMW-MRXNPFEDSA-N 0 0 302.462 4.119 20 10 DICDRN C[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)c1cc(F)cc(F)c1[O-] ZINC000800494698 1045633213 /nfs/dbraw/zinc/63/32/13/1045633213.db2.gz YWLVTFNSTBHMGZ-VHSXEESVSA-N 0 0 305.315 4.147 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)Nc1cccc(F)c1 ZINC000800802643 1045650244 /nfs/dbraw/zinc/65/02/44/1045650244.db2.gz QULROLRQUGASLL-UHFFFAOYSA-N 0 0 316.376 4.366 20 10 DICDRN Clc1ccc(C2=CCN(c3cccc(Cl)n3)CC2)cn1 ZINC000800861908 1045658550 /nfs/dbraw/zinc/65/85/50/1045658550.db2.gz BYFYLXAMJVPHCG-UHFFFAOYSA-N 0 0 306.196 4.077 20 10 DICDRN CO[C@@H](C)c1nsc(Sc2ncc(C(C)(C)C)s2)n1 ZINC000800858649 1045659826 /nfs/dbraw/zinc/65/98/26/1045659826.db2.gz BRXJLBLTEFODJC-ZETCQYMHSA-N 0 0 315.489 4.151 20 10 DICDRN Oc1cccc(Cl)c1CNc1ccc(OC(F)F)cc1F ZINC000800897662 1045664833 /nfs/dbraw/zinc/66/48/33/1045664833.db2.gz NZPQPXSPVYYCEW-UHFFFAOYSA-N 0 0 317.694 4.398 20 10 DICDRN CC1CN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)C1 ZINC000801250213 1045698906 /nfs/dbraw/zinc/69/89/06/1045698906.db2.gz CFLKVJOGIACWJM-UHFFFAOYSA-N 0 0 322.412 4.260 20 10 DICDRN CN(C)c1ccc(CNc2ccc3scnc3c2)cc1F ZINC000752971436 1045716474 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1045738042 /nfs/dbraw/zinc/73/80/42/1045738042.db2.gz UWJFCWOTDJYFDQ-GUTDMRFLSA-N 0 0 301.430 4.433 20 10 DICDRN CCCCCC(C)(C)C(=O)NCCCSc1nccs1 ZINC000753306599 1045746652 /nfs/dbraw/zinc/74/66/52/1045746652.db2.gz DSWCWLYCQGQAJZ-UHFFFAOYSA-N 0 0 314.520 4.348 20 10 DICDRN COc1ccc2[nH]cc(C3=CCN(c4cccc(F)n4)CC3)c2c1 ZINC000078611350 1045747381 /nfs/dbraw/zinc/74/73/81/1045747381.db2.gz OTTHKBBDNAZNPK-UHFFFAOYSA-N 0 0 323.371 4.004 20 10 DICDRN Cc1cc(CNC(=O)C2=CC(=O)CS2)ccc1-c1ccccc1 ZINC000779466661 1045756605 /nfs/dbraw/zinc/75/66/05/1045756605.db2.gz VJZBAHLHBSSTJR-UHFFFAOYSA-N 0 0 323.417 4.359 20 10 DICDRN Cc1ccc(/C=C\CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000753577627 1045766423 /nfs/dbraw/zinc/76/64/23/1045766423.db2.gz BJNIZEADEFAEIV-WAYWQWQTSA-N 0 0 322.452 4.123 20 10 DICDRN CC(C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)=C1CCCC1 ZINC000753581437 1045768530 /nfs/dbraw/zinc/76/85/30/1045768530.db2.gz INPBSXJLNMCKQS-UHFFFAOYSA-N 0 0 312.457 4.134 20 10 DICDRN Cc1cc(C(=O)Nc2cccc(N3CCC(C)CC3)c2)ccc1O ZINC000779518800 1045773437 /nfs/dbraw/zinc/77/34/37/1045773437.db2.gz GRGDXXYRQXREFB-UHFFFAOYSA-N 0 0 324.424 4.189 20 10 DICDRN C[C@H]1CCCC[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001124836284 1045777288 /nfs/dbraw/zinc/77/72/88/1045777288.db2.gz UCFMDUZHBUXFHP-KXBFYZLASA-N 0 0 314.473 4.070 20 10 DICDRN Cc1ccc(/C=C\CC(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC000753617557 1045778613 /nfs/dbraw/zinc/77/86/13/1045778613.db2.gz LGBRPIHZNBCMFX-WAYWQWQTSA-N 0 0 322.452 4.089 20 10 DICDRN COc1cccc(N(CC(C)C)C(=O)/C(C)=C/c2cccnc2)c1 ZINC001124885190 1045791235 /nfs/dbraw/zinc/79/12/35/1045791235.db2.gz NPGHQBLHSVPKPD-LFIBNONCSA-N 0 0 324.424 4.183 20 10 DICDRN O=C(/C=C/c1ccc(Cl)nc1)N1CCCCc2ccccc21 ZINC001124900618 1045794311 /nfs/dbraw/zinc/79/43/11/1045794311.db2.gz UGNXWZMRVYEBCV-PKNBQFBNSA-N 0 0 312.800 4.118 20 10 DICDRN CCC[C@H](CC)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001124905976 1045795685 /nfs/dbraw/zinc/79/56/85/1045795685.db2.gz ZKBVBTBDSWVVIS-INIZCTEOSA-N 0 0 302.462 4.070 20 10 DICDRN CCN(C(=O)/C=C/c1ccc(C)nc1)c1cccc(Cl)c1 ZINC000754083997 1045845839 /nfs/dbraw/zinc/84/58/39/1045845839.db2.gz ZHQPPDYYUBDAIZ-MDZDMXLPSA-N 0 0 300.789 4.110 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC(C)=C(C)C2)cc1 ZINC001125166782 1045865428 /nfs/dbraw/zinc/86/54/28/1045865428.db2.gz OQYMYLVWDFGWMF-GOSISDBHSA-N 0 0 314.473 4.286 20 10 DICDRN Cc1cncc(/C=C\C(=O)N2C[C@@H](C)CSc3ccccc32)c1 ZINC000754372920 1045882828 /nfs/dbraw/zinc/88/28/28/1045882828.db2.gz QIFBVHXUWBMHAY-ZPIQOJFGSA-N 0 0 324.449 4.178 20 10 DICDRN Cn1ccc2ccc(C(=O)Nc3cccc(N4CCCC4)c3)cc21 ZINC001125258501 1045884402 /nfs/dbraw/zinc/88/44/02/1045884402.db2.gz JTZBXNUGUVNMRI-UHFFFAOYSA-N 0 0 319.408 4.031 20 10 DICDRN Cc1ccc([C@@H]2CCCCCN2C(=O)C2=CC(=O)CS2)o1 ZINC000828402991 1045905899 /nfs/dbraw/zinc/90/58/99/1045905899.db2.gz HLCIFTGELMWNAV-ZDUSSCGKSA-N 0 0 305.399 4.113 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCC[C@@H]1CC ZINC000802237180 1045926694 /nfs/dbraw/zinc/92/66/94/1045926694.db2.gz ZQILUWVVPZJEQB-RDJZCZTQSA-N 0 0 318.461 4.283 20 10 DICDRN COc1ccc(O)c([C@@H](C)Nc2ccc3c(c2)OC(C)(C)O3)c1 ZINC000192716600 1045927316 /nfs/dbraw/zinc/92/73/16/1045927316.db2.gz SAELMPBCJBZWRD-LLVKDONJSA-N 0 0 315.369 4.081 20 10 DICDRN Cc1ccc([C@H](C)Nc2cccc(NC(=O)C(C)C)c2)c(O)c1 ZINC000192800704 1045935734 /nfs/dbraw/zinc/93/57/34/1045935734.db2.gz QTRQOPOIIALJEW-AWEZNQCLSA-N 0 0 312.413 4.468 20 10 DICDRN CCc1c(NCc2cc(C)ccc2O)cnn1CCC(C)C ZINC000755219598 1045964843 /nfs/dbraw/zinc/96/48/43/1045964843.db2.gz KMUDWXDSHWFTNL-UHFFFAOYSA-N 0 0 301.434 4.118 20 10 DICDRN C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1c([O-])cccc1F ZINC001137837640 1045981375 /nfs/dbraw/zinc/98/13/75/1045981375.db2.gz PDQIGHSJHPMXEG-UHFFFAOYSA-N 0 0 313.294 4.182 20 10 DICDRN Cc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(C)n1-c1ccccc1 ZINC001137854218 1045985187 /nfs/dbraw/zinc/98/51/87/1045985187.db2.gz NINZKIXKMQTTJQ-NQIIRXRSSA-N 0 0 324.468 4.095 20 10 DICDRN CC(C)(C)[C@@H](NC(=O)C1=CC(=O)CS1)c1ccc(F)cc1 ZINC000755837280 1046022801 /nfs/dbraw/zinc/02/28/01/1046022801.db2.gz MELKZANJKCGUGD-AWEZNQCLSA-N 0 0 307.390 4.110 20 10 DICDRN O=C(N[C@@H](c1ccccc1F)C1CCCC1)C1=CC(=O)CS1 ZINC000755870547 1046024012 /nfs/dbraw/zinc/02/40/12/1046024012.db2.gz GHMAHPYSAJXTEX-MRXNPFEDSA-N 0 0 319.401 4.254 20 10 DICDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000802655930 1046027497 /nfs/dbraw/zinc/02/74/97/1046027497.db2.gz ATOOXUDILIMNFP-KRWDZBQOSA-N 0 0 305.780 4.116 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)C1CCC2(CC2)CC1 ZINC000830146780 1046045729 /nfs/dbraw/zinc/04/57/29/1046045729.db2.gz LTDWTGAONPXIMK-UHFFFAOYSA-N 0 0 301.430 4.101 20 10 DICDRN CCC(CC)[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756342613 1046065186 /nfs/dbraw/zinc/06/51/86/1046065186.db2.gz KAJZAXDUOLEGNG-QMMMGPOBSA-N 0 0 304.203 4.133 20 10 DICDRN C[C@@H]([NH2+]CCSCc1ccccc1F)c1ccc(F)cc1[O-] ZINC000756355175 1046066300 /nfs/dbraw/zinc/06/63/00/1046066300.db2.gz KIPQUEFNZCFWPT-GFCCVEGCSA-N 0 0 323.408 4.254 20 10 DICDRN C[C@@H]([NH2+]CCSCc1ccccc1)c1ccc(F)cc1[O-] ZINC000756354977 1046067553 /nfs/dbraw/zinc/06/75/53/1046067553.db2.gz DEPYURVIOXCIJX-CYBMUJFWSA-N 0 0 305.418 4.115 20 10 DICDRN C[C@H]([NH2+]CCSCc1ccccc1)c1ccc(F)cc1[O-] ZINC000756354978 1046067813 /nfs/dbraw/zinc/06/78/13/1046067813.db2.gz DEPYURVIOXCIJX-ZDUSSCGKSA-N 0 0 305.418 4.115 20 10 DICDRN CCC[C@H](C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756343264 1046068134 /nfs/dbraw/zinc/06/81/34/1046068134.db2.gz YOACLVMAMHNBKB-IUCAKERBSA-N 0 0 304.203 4.133 20 10 DICDRN CC(C)COCCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756358069 1046069262 /nfs/dbraw/zinc/06/92/62/1046069262.db2.gz HQAUGRBCKUJKFG-NSHDSACASA-N 0 0 320.260 4.412 20 10 DICDRN C[C@H]([NH2+]CC1(c2ccccc2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756396243 1046076684 /nfs/dbraw/zinc/07/66/84/1046076684.db2.gz IRSBCKZEZVMPJY-LBPRGKRZSA-N 0 0 303.352 4.053 20 10 DICDRN Cc1ccc(OCCCC[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000756417137 1046079729 /nfs/dbraw/zinc/07/97/29/1046079729.db2.gz JXLFUGJVDODYKF-OAHLLOKOSA-N 0 0 317.404 4.350 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)Cc1ccccc1F)c1cc(F)cc(F)c1[O-] ZINC000756446507 1046082403 /nfs/dbraw/zinc/08/24/03/1046082403.db2.gz QVNQCSIGWNDIKJ-WDEREUQCSA-N 0 0 309.331 4.091 20 10 DICDRN COc1cccc([C@@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756434173 1046082461 /nfs/dbraw/zinc/08/24/61/1046082461.db2.gz IYMSUPGTNFTWNF-GHMZBOCLSA-N 0 0 307.340 4.091 20 10 DICDRN CC(C)OCc1ccccc1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756462864 1046084313 /nfs/dbraw/zinc/08/43/13/1046084313.db2.gz BAAYJBIRMUBLEZ-CQSZACIVSA-N 0 0 317.404 4.307 20 10 DICDRN O=C(Nc1ccc(F)cc1OC1CCCC1)C1=CC(=O)CS1 ZINC000830620562 1046085518 /nfs/dbraw/zinc/08/55/18/1046085518.db2.gz VRQUWWKLDNBRLA-UHFFFAOYSA-N 0 0 321.373 4.167 20 10 DICDRN Cc1ccccc1C[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756480255 1046086632 /nfs/dbraw/zinc/08/66/32/1046086632.db2.gz UKMHHFBBKXPFSB-CHWSQXEVSA-N 0 0 305.368 4.261 20 10 DICDRN C[C@@H]([NH2+]C[C@@H](C)c1cccc(F)c1)c1cc(F)cc(F)c1[O-] ZINC000756476859 1046087870 /nfs/dbraw/zinc/08/78/70/1046087870.db2.gz WGJYYCFDTMHDQB-GHMZBOCLSA-N 0 0 309.331 4.264 20 10 DICDRN C[C@@H]([NH2+]Cc1c(F)cccc1Cl)c1cc(F)cc(F)c1[O-] ZINC000756498663 1046091134 /nfs/dbraw/zinc/09/11/34/1046091134.db2.gz YMNXWLQSOMQAFR-MRVPVSSYSA-N 0 0 315.722 4.314 20 10 DICDRN Cc1cc(C)c(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(C)c1 ZINC000756498679 1046091432 /nfs/dbraw/zinc/09/14/32/1046091432.db2.gz YPUJEKCDBGEWLR-AWEZNQCLSA-N 0 0 314.385 4.076 20 10 DICDRN C[C@H](CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000756513141 1046093461 /nfs/dbraw/zinc/09/34/61/1046093461.db2.gz CLJINSSDKSRTRY-ZIAGYGMSSA-N 0 0 314.385 4.145 20 10 DICDRN Cc1cccc2[nH]cc(CC[NH2+][C@@H](C)c3ccc(F)cc3[O-])c21 ZINC000756531753 1046096044 /nfs/dbraw/zinc/09/60/44/1046096044.db2.gz BZRHGCDAGVRXKK-ZDUSSCGKSA-N 0 0 312.388 4.214 20 10 DICDRN Cc1cc(C)cc([C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000756554820 1046098502 /nfs/dbraw/zinc/09/85/02/1046098502.db2.gz QAHBCGQIPPBLNZ-UONOGXRCSA-N 0 0 314.385 4.329 20 10 DICDRN Cc1ccccc1OCCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756547749 1046098829 /nfs/dbraw/zinc/09/88/29/1046098829.db2.gz HBTYTSGHJMKEQE-CYBMUJFWSA-N 0 0 321.367 4.099 20 10 DICDRN C[C@H]([NH2+][C@@H]1CSc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000756588773 1046103981 /nfs/dbraw/zinc/10/39/81/1046103981.db2.gz IOQBVLKTSBSCJE-LKFCYVNXSA-N 0 0 307.365 4.168 20 10 DICDRN C[C@H]1C[N@H+](Cc2cccc(F)c2[O-])CCc2ccc(Cl)cc21 ZINC001138129649 1046104686 /nfs/dbraw/zinc/10/46/86/1046104686.db2.gz PJJPUAHOGCNJDK-LBPRGKRZSA-N 0 0 319.807 4.347 20 10 DICDRN CSCC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756585858 1046104954 /nfs/dbraw/zinc/10/49/54/1046104954.db2.gz NCMVIAJHWABGPA-RKDXNWHRSA-N 0 0 308.274 4.491 20 10 DICDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC001138129916 1046106344 /nfs/dbraw/zinc/10/63/44/1046106344.db2.gz ZGMYZQMDQXZCKO-INIZCTEOSA-N 0 0 307.315 4.147 20 10 DICDRN [O-]c1c(F)cccc1C[N@H+](Cc1ccccn1)C1CCCCC1 ZINC001138128553 1046106626 /nfs/dbraw/zinc/10/66/26/1046106626.db2.gz RCTCETVHVANYKU-UHFFFAOYSA-N 0 0 314.404 4.261 20 10 DICDRN C[C@@H]([NH2+]CC1(c2cccc(F)c2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756595082 1046106730 /nfs/dbraw/zinc/10/67/30/1046106730.db2.gz TUAFCLULUPOIJR-LLVKDONJSA-N 0 0 321.342 4.192 20 10 DICDRN Cc1ccccc1O[C@H](C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756606791 1046107417 /nfs/dbraw/zinc/10/74/17/1046107417.db2.gz DHIDCTKPANPDBD-OLZOCXBDSA-N 0 0 321.367 4.097 20 10 DICDRN Cc1ccc(O[C@@H](C)C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756611407 1046110523 /nfs/dbraw/zinc/11/05/23/1046110523.db2.gz VQFUOOFGCSBIFW-STQMWFEESA-N 0 0 321.367 4.097 20 10 DICDRN COc1ccc([C@@H](C)CC[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000756611933 1046110563 /nfs/dbraw/zinc/11/05/63/1046110563.db2.gz KISRNUSLFLUZIT-UONOGXRCSA-N 0 0 317.404 4.384 20 10 DICDRN Cc1ccc(O[C@@H](C)C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756611402 1046110659 /nfs/dbraw/zinc/11/06/59/1046110659.db2.gz VQFUOOFGCSBIFW-QWHCGFSZSA-N 0 0 321.367 4.097 20 10 DICDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccco1 ZINC000194941948 1046111340 /nfs/dbraw/zinc/11/13/40/1046111340.db2.gz PIHRYNJJIBUSHO-OAHLLOKOSA-N 0 0 321.376 4.389 20 10 DICDRN C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccc(F)cc1F ZINC000756621377 1046112674 /nfs/dbraw/zinc/11/26/74/1046112674.db2.gz PTKPURLOJXBHMA-MNOVXSKESA-N 0 0 309.331 4.264 20 10 DICDRN C[C@H]([NH2+]CCC(F)(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000756646551 1046115833 /nfs/dbraw/zinc/11/58/33/1046115833.db2.gz BOEURGFOHBZIGD-LURJTMIESA-N 0 0 302.123 4.302 20 10 DICDRN CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])C1(C)C ZINC000756646685 1046116189 /nfs/dbraw/zinc/11/61/89/1046116189.db2.gz CQSZFKGDAXLQID-XXILOJSOSA-N 0 0 318.244 4.163 20 10 DICDRN Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1F ZINC000756645841 1046116251 /nfs/dbraw/zinc/11/62/51/1046116251.db2.gz KNJQILPSVVFTOW-VXGBXAGGSA-N 0 0 318.348 4.160 20 10 DICDRN CC(C)[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1cccnc1 ZINC000756648773 1046118391 /nfs/dbraw/zinc/11/83/91/1046118391.db2.gz KGCCFVHZGFVHLM-BLLLJJGKSA-N 0 0 320.383 4.156 20 10 DICDRN CCc1cccc2c1OCC[C@H]2[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756684070 1046120508 /nfs/dbraw/zinc/12/05/08/1046120508.db2.gz KDIRZPVKSBWIBE-SJKOYZFVSA-N 0 0 315.388 4.268 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CC=CCC1)c1cc(Br)c(F)cc1[O-] ZINC000756734549 1046124084 /nfs/dbraw/zinc/12/40/84/1046124084.db2.gz XTKPPDZIDRDIDV-NXEZZACHSA-N 0 0 314.198 4.053 20 10 DICDRN CO[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])c1cccc(Cl)c1 ZINC000756732689 1046124637 /nfs/dbraw/zinc/12/46/37/1046124637.db2.gz NIHIWEMHJQFGOS-APPDUMDISA-N 0 0 323.795 4.223 20 10 DICDRN C[C@H]([NH2+]CCC1CCC1)c1cc(Br)cc(F)c1[O-] ZINC000756742073 1046126516 /nfs/dbraw/zinc/12/65/16/1046126516.db2.gz JQCRIJROXMLGNJ-VIFPVBQESA-N 0 0 316.214 4.135 20 10 DICDRN C[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756762484 1046127850 /nfs/dbraw/zinc/12/78/50/1046127850.db2.gz UMIDMTSAQPSVGX-NXEZZACHSA-N 0 0 320.260 4.147 20 10 DICDRN C[C@@H]([NH2+]CCOCc1ccc(Cl)cc1)c1ccc(F)cc1[O-] ZINC000756770396 1046129845 /nfs/dbraw/zinc/12/98/45/1046129845.db2.gz KQWIHZYCFNLBRM-GFCCVEGCSA-N 0 0 323.795 4.052 20 10 DICDRN Cc1c(CN(C)Cc2cnc(Cl)s2)c2ccccc2n1C ZINC001138252805 1046129970 /nfs/dbraw/zinc/12/99/70/1046129970.db2.gz VKSJEZDYRJLKOY-UHFFFAOYSA-N 0 0 319.861 4.229 20 10 DICDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@H]2CCCC(C)(C)C2)c1 ZINC000756766292 1046130461 /nfs/dbraw/zinc/13/04/61/1046130461.db2.gz LTHOXFUSIPTYOO-UONOGXRCSA-N 0 0 319.445 4.185 20 10 DICDRN CC(C)OC1CCC([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756768313 1046130700 /nfs/dbraw/zinc/13/07/00/1046130700.db2.gz LYGCPAOMCADKQW-LMWSTFAQSA-N 0 0 313.388 4.057 20 10 DICDRN COc1ccc(C[C@H](C)C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000756783764 1046133616 /nfs/dbraw/zinc/13/36/16/1046133616.db2.gz IUKZXEXAQSTVCL-KBPBESRZSA-N 0 0 317.404 4.069 20 10 DICDRN COc1ccc(N[C@@H]2C[C@H](C)c3c2c(O)ccc3F)c(OC)c1 ZINC000756790186 1046135021 /nfs/dbraw/zinc/13/50/21/1046135021.db2.gz MULSAPLFRYZURK-IINYFYTJSA-N 0 0 317.360 4.209 20 10 DICDRN C[C@H](Nc1ccc(OC(F)F)cc1)c1cc(F)cc(F)c1O ZINC000756795073 1046136929 /nfs/dbraw/zinc/13/69/29/1046136929.db2.gz NPYANHWSTSTTGH-QMMMGPOBSA-N 0 0 315.266 4.445 20 10 DICDRN COc1ccc(N[C@@H]2C[C@H](C)c3c2c(O)ccc3F)cc1OC ZINC000756794607 1046137256 /nfs/dbraw/zinc/13/72/56/1046137256.db2.gz JOAWTQGJZBYQBS-GXFFZTMASA-N 0 0 317.360 4.209 20 10 DICDRN C[C@H](Nc1cccc(OC(F)F)c1)c1cc(F)cc(F)c1O ZINC000756801802 1046137264 /nfs/dbraw/zinc/13/72/64/1046137264.db2.gz NKRBXMAZTQMXTN-QMMMGPOBSA-N 0 0 315.266 4.445 20 10 DICDRN COc1ccc(C2([NH2+][C@@H](C)c3cc(F)cc(F)c3[O-])CC2)cc1 ZINC000756818365 1046138474 /nfs/dbraw/zinc/13/84/74/1046138474.db2.gz ODVQOHUDFQMXJW-NSHDSACASA-N 0 0 319.351 4.019 20 10 DICDRN C[C@H]([NH2+]CCOC(C)(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756817553 1046138871 /nfs/dbraw/zinc/13/88/71/1046138871.db2.gz KWNRTYVLMYNOJW-VIFPVBQESA-N 0 0 306.233 4.165 20 10 DICDRN C[C@@H](Nc1ccc2c(c1)CCO2)c1cc2c(cc1O)CCCC2 ZINC000756829712 1046140241 /nfs/dbraw/zinc/14/02/41/1046140241.db2.gz ALPXNEVYJQKROB-CYBMUJFWSA-N 0 0 309.409 4.379 20 10 DICDRN C[C@H]([NH2+]C1(c2cccc(F)c2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756834058 1046142681 /nfs/dbraw/zinc/14/26/81/1046142681.db2.gz SPEXOTQULZFVLV-JTQLQIEISA-N 0 0 307.315 4.149 20 10 DICDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(Cl)cc2)c1 ZINC000756848979 1046142796 /nfs/dbraw/zinc/14/27/96/1046142796.db2.gz ACKVTOYVASYRMP-SNVBAGLBSA-N 0 0 305.761 4.005 20 10 DICDRN C[C@@H](NC(=O)C(C1CCC1)C1CCC1)c1ccc(N(C)C)cc1 ZINC000803120520 1046142871 /nfs/dbraw/zinc/14/28/71/1046142871.db2.gz JEPGZHWQGAPRFI-CQSZACIVSA-N 0 0 314.473 4.146 20 10 DICDRN CC(C)Cn1cc(N[C@@H]2C[C@H](C)c3c2c(O)ccc3F)cn1 ZINC000756855615 1046143573 /nfs/dbraw/zinc/14/35/73/1046143573.db2.gz LIHVMZXHKAOEKR-SMDDNHRTSA-N 0 0 303.381 4.044 20 10 DICDRN CC(C)Cn1cc(N[C@H]2C[C@@H](C)c3c2c(O)ccc3F)cn1 ZINC000756855078 1046144555 /nfs/dbraw/zinc/14/45/55/1046144555.db2.gz LIHVMZXHKAOEKR-RISCZKNCSA-N 0 0 303.381 4.044 20 10 DICDRN CCN(CC)c1ccc(N[C@@H](C)c2cc(F)cc(F)c2O)cn1 ZINC000756858821 1046145574 /nfs/dbraw/zinc/14/55/74/1046145574.db2.gz WMAPBNOTDGVDTJ-NSHDSACASA-N 0 0 321.371 4.085 20 10 DICDRN COc1ccc(F)cc1N[C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756856180 1046145594 /nfs/dbraw/zinc/14/55/94/1046145594.db2.gz KHYMRUHMRJOHGH-NOZJJQNGSA-N 0 0 305.324 4.339 20 10 DICDRN COc1cc(N[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)cc(OC)c1 ZINC000756863686 1046145682 /nfs/dbraw/zinc/14/56/82/1046145682.db2.gz KAVGNXXCYFOCCB-MEBBXXQBSA-N 0 0 317.360 4.209 20 10 DICDRN COc1cc(N[C@@H]2C[C@H](C)c3c2c(O)ccc3F)cc(OC)c1 ZINC000756863687 1046145748 /nfs/dbraw/zinc/14/57/48/1046145748.db2.gz KAVGNXXCYFOCCB-ZUZCIYMTSA-N 0 0 317.360 4.209 20 10 DICDRN C[C@@H](Nc1ccn(-c2ccccc2)n1)c1cc(F)cc(F)c1O ZINC000756866526 1046145888 /nfs/dbraw/zinc/14/58/88/1046145888.db2.gz VMLASYIPHKUBMV-LLVKDONJSA-N 0 0 315.323 4.029 20 10 DICDRN CC(=O)Nc1ccc(N[C@@H]2C[C@H](C)c3c2c(O)ccc3F)cc1 ZINC000756862163 1046146099 /nfs/dbraw/zinc/14/60/99/1046146099.db2.gz AYBMVRZWQBPZLX-ZUZCIYMTSA-N 0 0 314.360 4.150 20 10 DICDRN Cc1ccc([C@H](C)N[C@@H](C(=O)OC(C)(C)C)C(C)C)c(O)c1C ZINC000756874496 1046147336 /nfs/dbraw/zinc/14/73/36/1046147336.db2.gz PXJPIZOOVGQQMT-GOEBONIOSA-N 0 0 321.461 4.026 20 10 DICDRN CCCCn1ncc(N[C@@H](C)c2cc(F)cc(F)c2O)c1C ZINC000756872179 1046147387 /nfs/dbraw/zinc/14/73/87/1046147387.db2.gz CHPGRZLKWLWOLT-JTQLQIEISA-N 0 0 309.360 4.149 20 10 DICDRN Cc1c(N[C@H]2C[C@@H](C)c3c2c(O)ccc3F)cnn1CC(C)C ZINC000756874569 1046147589 /nfs/dbraw/zinc/14/75/89/1046147589.db2.gz SAPSZKSEAVYFAF-RISCZKNCSA-N 0 0 317.408 4.353 20 10 DICDRN CCCCn1ncc(N[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)c1C ZINC000756874476 1046147625 /nfs/dbraw/zinc/14/76/25/1046147625.db2.gz PQSUONCVFYWBRH-BXUZGUMPSA-N 0 0 317.408 4.497 20 10 DICDRN COc1ccc(N[C@H](C)c2ccc(F)cc2O)c2cccnc12 ZINC000756896306 1046149748 /nfs/dbraw/zinc/14/97/48/1046149748.db2.gz PRBIFUUXFVDEGC-LLVKDONJSA-N 0 0 312.344 4.261 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)c1cc(F)cc(Cl)c1 ZINC000757383874 1046174114 /nfs/dbraw/zinc/17/41/14/1046174114.db2.gz WDCQPUIXNMEPCY-UHFFFAOYSA-N 0 0 321.779 4.237 20 10 DICDRN COc1ccc(O)c([C@@H](C)Nc2cccc(CSC)c2)c1 ZINC000757604360 1046190653 /nfs/dbraw/zinc/19/06/53/1046190653.db2.gz PSAIHQSRDMBUIF-GFCCVEGCSA-N 0 0 303.427 4.437 20 10 DICDRN Cc1ccc([C@H](C)Nc2ccc3c(c2)N(C)CCO3)c(O)c1C ZINC000757609259 1046192632 /nfs/dbraw/zinc/19/26/32/1046192632.db2.gz PKSUEDGVGKCYGS-AWEZNQCLSA-N 0 0 312.413 4.011 20 10 DICDRN Cc1cc2c(cc1N[C@@H]1C[C@@H](C)c3c1c(O)ccc3F)OCO2 ZINC000757639605 1046197422 /nfs/dbraw/zinc/19/74/22/1046197422.db2.gz ZZNMKVXVYHCKEG-ZWNOBZJWSA-N 0 0 315.344 4.229 20 10 DICDRN CS[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C(C)(C)C ZINC000757652496 1046198203 /nfs/dbraw/zinc/19/82/03/1046198203.db2.gz AUNOHIOJDIQOEV-TVQRCGJNSA-N 0 0 303.418 4.099 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1ccc2c(c1)CCO2 ZINC000903238429 1046203916 /nfs/dbraw/zinc/20/39/16/1046203916.db2.gz KIYMBXVZFMWFGK-MNOVXSKESA-N 0 0 319.351 4.017 20 10 DICDRN Cc1ccc(-c2cnc(COc3ccc(N(C)C)cc3)o2)cc1 ZINC000757705833 1046204499 /nfs/dbraw/zinc/20/44/99/1046204499.db2.gz YZOMCBJFCXSGHZ-UHFFFAOYSA-N 0 0 308.381 4.295 20 10 DICDRN COc1c(Cl)cccc1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000903245317 1046208163 /nfs/dbraw/zinc/20/81/63/1046208163.db2.gz DQZJWFMWVLRYAS-JTQLQIEISA-N 0 0 309.768 4.044 20 10 DICDRN C[C@H](N[C@@H]1c2ccccc2OC[C@@H]1F)c1ccc(Cl)cc1O ZINC000903266320 1046213590 /nfs/dbraw/zinc/21/35/90/1046213590.db2.gz NZRGIKFWCHYNQR-RMLVOYDJSA-N 0 0 321.779 4.168 20 10 DICDRN COc1ccc(N(C)Cc2cc(-c3ccco3)on2)cc1Cl ZINC000757855702 1046219116 /nfs/dbraw/zinc/21/91/16/1046219116.db2.gz GMOIWDWDZOMLHT-UHFFFAOYSA-N 0 0 318.760 4.233 20 10 DICDRN CC[C@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1cccc(Cl)c1[O-] ZINC000903284356 1046222520 /nfs/dbraw/zinc/22/25/20/1046222520.db2.gz WTFCHLGIWJKSEZ-MRNPNLAOSA-N 0 0 309.837 4.044 20 10 DICDRN C[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000088506843 1046232773 /nfs/dbraw/zinc/23/27/73/1046232773.db2.gz DACAGTLFKZPENB-RISCZKNCSA-N 0 0 312.251 4.213 20 10 DICDRN CC[C@@H](NCc1nc(C(C)(C)C)co1)c1ccc(C)cc1O ZINC000903313610 1046234013 /nfs/dbraw/zinc/23/40/13/1046234013.db2.gz UPIHPNBOZVPVRM-CQSZACIVSA-N 0 0 302.418 4.227 20 10 DICDRN C[C@@H]([NH2+]C1CC2(C1)COC(C)(C)C2)c1ccc(Cl)cc1[O-] ZINC000903327243 1046242306 /nfs/dbraw/zinc/24/23/06/1046242306.db2.gz YFGYLQVDLUEXAJ-FFLHNBHYSA-N 0 0 309.837 4.044 20 10 DICDRN CC[C@@H]([NH2+][C@H](c1ccccn1)C1CC1)c1ccc(F)cc1[O-] ZINC000903334995 1046246253 /nfs/dbraw/zinc/24/62/53/1046246253.db2.gz JLOUYZFULCYHPX-QAPCUYQASA-N 0 0 300.377 4.118 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000803390311 1046247003 /nfs/dbraw/zinc/24/70/03/1046247003.db2.gz VVBOFJQZGONANG-RBUKOAKNSA-N 0 0 323.436 4.325 20 10 DICDRN CC[N@H+](Cc1cccn1-c1ccccc1F)Cc1ccccc1O ZINC001138633286 1046249861 /nfs/dbraw/zinc/24/98/61/1046249861.db2.gz TZMYUBSQOYKIIG-UHFFFAOYSA-N 0 0 324.399 4.344 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)c1cc(F)c(C)cc1F ZINC000758278621 1046256255 /nfs/dbraw/zinc/25/62/55/1046256255.db2.gz DYMUOIKCDROHRT-UHFFFAOYSA-N 0 0 319.351 4.031 20 10 DICDRN CCN(C(=O)/C=C\c1ccc(C)nc1)c1ccc(Cl)cc1F ZINC000799409146 1046263875 /nfs/dbraw/zinc/26/38/75/1046263875.db2.gz NYKMDSOJBRLGQX-TWGQIWQCSA-N 0 0 318.779 4.249 20 10 DICDRN CCN1C(=O)/C(=C\c2cc3ccccc3s2)SC1=S ZINC000758417374 1046269122 /nfs/dbraw/zinc/26/91/22/1046269122.db2.gz VECWFPBSPBGFSN-XYOKQWHBSA-N 0 0 305.449 4.122 20 10 DICDRN Cc1cc(CC(=O)N[C@H]2CCCC2(C)C)c(C)n1-c1ccccc1 ZINC001126669354 1046274774 /nfs/dbraw/zinc/27/47/74/1046274774.db2.gz ACJDBECJQDYTFD-IBGZPJMESA-N 0 0 324.468 4.332 20 10 DICDRN CC[C@@H]([NH2+][C@@H](c1ccncc1)C1CC1)c1ccc(F)cc1[O-] ZINC000903428137 1046277438 /nfs/dbraw/zinc/27/74/38/1046277438.db2.gz MHDYIXMZDRUCDR-SJLPKXTDSA-N 0 0 300.377 4.118 20 10 DICDRN Cc1ccc(N(C)C(=O)/C=C\c2ccc(Cl)nc2)cc1C ZINC000758562813 1046279296 /nfs/dbraw/zinc/27/92/96/1046279296.db2.gz MPVVYYVHSHBMDV-TWGQIWQCSA-N 0 0 300.789 4.028 20 10 DICDRN CCN(Cc1csc(C(C)C)n1)Cc1ccc(N(C)C)cc1 ZINC001138888339 1046317331 /nfs/dbraw/zinc/31/73/31/1046317331.db2.gz ZCNSJFGKGBQQLL-UHFFFAOYSA-N 0 0 317.502 4.355 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)c1cnn(C(C)C)c1)c1ccc(F)cc1[O-] ZINC000796758590 1046328514 /nfs/dbraw/zinc/32/85/14/1046328514.db2.gz DMEPKKVBCSANCK-BLLLJJGKSA-N 0 0 305.397 4.111 20 10 DICDRN CC[C@H]([NH2+]C[C@H]1CCOc2ccccc21)c1ccc(F)cc1[O-] ZINC000796760067 1046338146 /nfs/dbraw/zinc/33/81/46/1046338146.db2.gz KIZCIYMVOJFGDW-DYVFJYSZSA-N 0 0 315.388 4.138 20 10 DICDRN O=C(/C=C/c1ccc(Cl)nc1)N(CC1CC1)c1ccccc1 ZINC000759307298 1046344459 /nfs/dbraw/zinc/34/44/59/1046344459.db2.gz ADNWHPFURBQBJF-PKNBQFBNSA-N 0 0 312.800 4.191 20 10 DICDRN CC(C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)=C1CCCC1 ZINC000753580176 1046349380 /nfs/dbraw/zinc/34/93/80/1046349380.db2.gz BRLNCQVQXARMNT-UHFFFAOYSA-N 0 0 314.473 4.380 20 10 DICDRN C[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)c1cccc(Cl)c1 ZINC000759598775 1046364774 /nfs/dbraw/zinc/36/47/74/1046364774.db2.gz YIGBTRBBRQJRQW-BPOWMSRESA-N 0 0 318.756 4.069 20 10 DICDRN O=C(NCc1ccccc1O)c1ccc(Oc2ccccc2)cc1 ZINC000748355200 1046367745 /nfs/dbraw/zinc/36/77/45/1046367745.db2.gz VPCRAUANPOOZST-UHFFFAOYSA-N 0 0 319.360 4.115 20 10 DICDRN COC(=O)c1occc1CSc1ncc(C(C)(C)C)s1 ZINC000759713693 1046374006 /nfs/dbraw/zinc/37/40/06/1046374006.db2.gz LBWSYLKLRDZVBH-UHFFFAOYSA-N 0 0 311.428 4.113 20 10 DICDRN CCC[C@@H](C)NC(=O)[C@@H](C)Sc1ncc(C(C)(C)C)s1 ZINC000759713262 1046374307 /nfs/dbraw/zinc/37/43/07/1046374307.db2.gz IEZLWJDVLPPIMR-GHMZBOCLSA-N 0 0 314.520 4.226 20 10 DICDRN CCC[C@H](C)NC(=O)[C@H](C)Sc1ncc(C(C)(C)C)s1 ZINC000759713264 1046375081 /nfs/dbraw/zinc/37/50/81/1046375081.db2.gz IEZLWJDVLPPIMR-QWRGUYRKSA-N 0 0 314.520 4.226 20 10 DICDRN COCc1nc(CSc2ncc(C(C)(C)C)s2)cs1 ZINC000759719643 1046375747 /nfs/dbraw/zinc/37/57/47/1046375747.db2.gz ZPISQWUYUDJHED-UHFFFAOYSA-N 0 0 314.501 4.336 20 10 DICDRN CC(C)C[C@@H](NC(=O)NCc1ccccc1O)c1cccs1 ZINC000748463087 1046376783 /nfs/dbraw/zinc/37/67/83/1046376783.db2.gz WLPVPEIMJWADBE-CQSZACIVSA-N 0 0 318.442 4.040 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001139124082 1046392435 /nfs/dbraw/zinc/39/24/35/1046392435.db2.gz ORFQYSJXHXZUCM-OSYLJGHBSA-N 0 0 315.457 4.347 20 10 DICDRN COc1cccc(O)c1CNc1ccc(OC(C)C)cc1Cl ZINC000780583364 1046395538 /nfs/dbraw/zinc/39/55/38/1046395538.db2.gz NZSLLGAYZFMWDK-UHFFFAOYSA-N 0 0 321.804 4.454 20 10 DICDRN CC(C)c1ccc(N(C)Cc2cn(C)nc2-c2cccnc2)cc1 ZINC000780779742 1046404764 /nfs/dbraw/zinc/40/47/64/1046404764.db2.gz XHDJNNBPTVYLMT-UHFFFAOYSA-N 0 0 320.440 4.242 20 10 DICDRN COc1ccc(N(C)Cc2cccc(OC)c2OC)cc1Cl ZINC000780779680 1046405211 /nfs/dbraw/zinc/40/52/11/1046405211.db2.gz SWSVSJPIGQRWID-UHFFFAOYSA-N 0 0 321.804 4.002 20 10 DICDRN CCCCC[C@](C)(CC)C(=O)NCc1cc(OC)ccc1O ZINC000780935405 1046413769 /nfs/dbraw/zinc/41/37/69/1046413769.db2.gz KSORCHAKFSXYEB-SFHVURJKSA-N 0 0 307.434 4.014 20 10 DICDRN COc1ccc(N(C[C@H]2CC2(Cl)Cl)C(C)C)cc1F ZINC000749151316 1046433696 /nfs/dbraw/zinc/43/36/96/1046433696.db2.gz QIERYXJARCFYAK-SNVBAGLBSA-N 0 0 306.208 4.243 20 10 DICDRN CO[C@H]1CC=C(N(Cc2ccccc2)c2ccc(N)cc2)CC1 ZINC001212883299 1046447842 /nfs/dbraw/zinc/44/78/42/1046447842.db2.gz LXVRDMNFGJYTHF-FQEVSTJZSA-N 0 0 308.425 4.358 20 10 DICDRN C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])c1ccc2c(c1)CCCO2 ZINC000827962700 1046468690 /nfs/dbraw/zinc/46/86/90/1046468690.db2.gz QSVZCLKALUTWEF-GFCCVEGCSA-N 0 0 317.816 4.221 20 10 DICDRN CN(Cc1ccccn1)c1ccc(OCc2ccccc2)cc1 ZINC000781964456 1046490830 /nfs/dbraw/zinc/49/08/30/1046490830.db2.gz VGGJASYLMQOBTR-UHFFFAOYSA-N 0 0 304.393 4.297 20 10 DICDRN CCN(CC)c1ccc(CNc2cn(C)nc2C(C)C)cc1F ZINC000795593899 1046494478 /nfs/dbraw/zinc/49/44/78/1046494478.db2.gz DRAIGWAIDUVWLM-UHFFFAOYSA-N 0 0 318.440 4.141 20 10 DICDRN Cc1ccc([C@H]2CCC[N@H+]2Cc2ccc(N(C)C)c(C)c2)cn1 ZINC001139673368 1046497479 /nfs/dbraw/zinc/49/74/79/1046497479.db2.gz FPZLKHCKZFZYEP-HXUWFJFHSA-N 0 0 309.457 4.102 20 10 DICDRN COc1cccc([C@@H]2CCC[N@@H+]2Cc2c(F)ccc(F)c2[O-])c1 ZINC001139686004 1046498938 /nfs/dbraw/zinc/49/89/38/1046498938.db2.gz JGYJMDZMSWMTER-KRWDZBQOSA-N 0 0 319.351 4.016 20 10 DICDRN CCCC(=CC(=O)N[C@@H](C)c1cc(OC)ccc1O)CCC ZINC000092515964 1046525729 /nfs/dbraw/zinc/52/57/29/1046525729.db2.gz WCMLQUAGTWQLCE-ZDUSSCGKSA-N 0 0 305.418 4.105 20 10 DICDRN CCc1cccc(CNc2ccc3c(c2)[C@H](O)CCCC3)c1O ZINC000827024432 1046543843 /nfs/dbraw/zinc/54/38/43/1046543843.db2.gz CGTZKKPDNGLQRN-LJQANCHMSA-N 0 0 311.425 4.327 20 10 DICDRN CC(C)CCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000248091946 1046543976 /nfs/dbraw/zinc/54/39/76/1046543976.db2.gz XZPFPCXCYIXVIX-UHFFFAOYSA-N 0 0 302.462 4.072 20 10 DICDRN COc1cccc([C@@H]2CCCC[N@@H+]2Cc2cc(F)ccc2O)c1 ZINC001140055019 1046576744 /nfs/dbraw/zinc/57/67/44/1046576744.db2.gz DSGFKTYLQJYAJX-SFHVURJKSA-N 0 0 315.388 4.267 20 10 DICDRN CC[C@@H](Nc1ccc(F)c(OC)c1)c1ccc(N(C)C)cc1 ZINC000783306648 1046577411 /nfs/dbraw/zinc/57/74/11/1046577411.db2.gz IWVLZWKYRYXODU-QGZVFWFLSA-N 0 0 302.393 4.464 20 10 DICDRN C[C@H]([NH2+]C[C@H]1CCC=CO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000783306640 1046577985 /nfs/dbraw/zinc/57/79/85/1046577985.db2.gz ZUWCFKMARUIIOB-VHSXEESVSA-N 0 0 302.201 4.042 20 10 DICDRN CC[C@H]([NH2+]C[C@@H]1CCC=CO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000783311970 1046578678 /nfs/dbraw/zinc/57/86/78/1046578678.db2.gz YAQCGYFMAQKTHO-GWCFXTLKSA-N 0 0 316.228 4.432 20 10 DICDRN C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1cc(Br)c(F)cc1[O-] ZINC000783310140 1046579190 /nfs/dbraw/zinc/57/91/90/1046579190.db2.gz NNXHSDVIFWGFHO-BBBLOLIVSA-N 0 0 316.214 4.133 20 10 DICDRN COc1ccc(N(CC[C@@H]2CCOC2)Cc2ccccc2)cc1 ZINC000783498927 1046600884 /nfs/dbraw/zinc/60/08/84/1046600884.db2.gz UWDTUKICYCADGE-GOSISDBHSA-N 0 0 311.425 4.128 20 10 DICDRN CCOc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2O)cc1 ZINC000841746302 1046604996 /nfs/dbraw/zinc/60/49/96/1046604996.db2.gz XVNGKWBJQDZUQV-GFCCVEGCSA-N 0 0 305.805 4.295 20 10 DICDRN COc1ccc(N[C@H](C)c2ccccc2O)c(Br)c1 ZINC000783531066 1046605192 /nfs/dbraw/zinc/60/51/92/1046605192.db2.gz CBTHKSIGKQPSJH-SNVBAGLBSA-N 0 0 322.202 4.336 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cccc(OC2CC2)c1F ZINC000827079635 1046609392 /nfs/dbraw/zinc/60/93/92/1046609392.db2.gz ZJPBODHOBGLQRA-UHFFFAOYSA-N 0 0 321.779 4.016 20 10 DICDRN CO[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000783603548 1046613335 /nfs/dbraw/zinc/61/33/35/1046613335.db2.gz SPJBSRRNWZSRFZ-LJQANCHMSA-N 0 0 311.425 4.060 20 10 DICDRN COc1ccc2c(c1)CCCN2Cc1cccc2cnccc21 ZINC000783592027 1046613977 /nfs/dbraw/zinc/61/39/77/1046613977.db2.gz VHWLMFIAIHCHIQ-UHFFFAOYSA-N 0 0 304.393 4.196 20 10 DICDRN Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841752471 1046615106 /nfs/dbraw/zinc/61/51/06/1046615106.db2.gz TZVVUXMNCGIXOK-UWVGGRQHSA-N 0 0 308.809 4.105 20 10 DICDRN CC[N@H+](Cc1ccccn1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093338808 1046622401 /nfs/dbraw/zinc/62/24/01/1046622401.db2.gz JIZTVPXXOUAMSN-UHFFFAOYSA-N 0 0 311.212 4.116 20 10 DICDRN CN(Cc1cncs1)c1ccc(OCc2ccccc2)cc1 ZINC000783715840 1046628014 /nfs/dbraw/zinc/62/80/14/1046628014.db2.gz YFRRNHFBMCRZEW-UHFFFAOYSA-N 0 0 310.422 4.359 20 10 DICDRN CN(CC1=CCCOC1)c1ccc(OCc2ccccc2)cc1 ZINC000783715204 1046628115 /nfs/dbraw/zinc/62/81/15/1046628115.db2.gz JZYSGOHODWVGJG-UHFFFAOYSA-N 0 0 309.409 4.049 20 10 DICDRN COc1ccc(CC(C)(C)[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000783729676 1046629592 /nfs/dbraw/zinc/62/95/92/1046629592.db2.gz POOYTUNWPAMAKZ-UHFFFAOYSA-N 0 0 319.832 4.165 20 10 DICDRN C[C@H]1CN(Cc2cc(Cl)ccc2O)C[C@H](c2ccsc2)O1 ZINC000093768910 1046637209 /nfs/dbraw/zinc/63/72/09/1046637209.db2.gz OIAHXJKFTBITGE-MEDUHNTESA-N 0 0 323.845 4.069 20 10 DICDRN CC(=O)Nc1c(C)ccc(N[C@H]2CCc3cccc(O)c32)c1C ZINC000834709710 1046653436 /nfs/dbraw/zinc/65/34/36/1046653436.db2.gz LUFDOPINYRQWSY-INIZCTEOSA-N 0 0 310.397 4.067 20 10 DICDRN CC(C)(C)C1=N/C(=C/c2ccc(N3CCCCC3)cc2)C(=O)O1 ZINC000834714193 1046654676 /nfs/dbraw/zinc/65/46/76/1046654676.db2.gz RATSCTJVZYHELN-DTQAZKPQSA-N 0 0 312.413 4.019 20 10 DICDRN Cc1ccncc1/C=C\C(=O)N1C[C@@H](C)CSc2ccccc21 ZINC000784087813 1046659335 /nfs/dbraw/zinc/65/93/35/1046659335.db2.gz DGEWJPOVBGAVIT-WBTMPAOCSA-N 0 0 324.449 4.178 20 10 DICDRN CC(C)n1ncc2cc(N[C@@H]3CCc4cccc(O)c43)ccc21 ZINC000834751719 1046664599 /nfs/dbraw/zinc/66/45/99/1046664599.db2.gz QPXMXTAGXRISPX-MRXNPFEDSA-N 0 0 307.397 4.422 20 10 DICDRN COc1ccc(OC(C)C)c(N[C@H]2CCc3cccc(O)c32)c1 ZINC000834751186 1046664723 /nfs/dbraw/zinc/66/47/23/1046664723.db2.gz LCEBYRIRAUODGY-HNNXBMFYSA-N 0 0 313.397 4.287 20 10 DICDRN CCN(Cc1cccc(F)c1F)Cc1c(O)cccc1Cl ZINC001140341755 1046668534 /nfs/dbraw/zinc/66/85/34/1046668534.db2.gz GMGILZNUVNLPBC-UHFFFAOYSA-N 0 0 311.759 4.346 20 10 DICDRN CCCC[C@H](CCC)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001137341037 1046672347 /nfs/dbraw/zinc/67/23/47/1046672347.db2.gz XPEAHOATRIVNGT-ZDUSSCGKSA-N 0 0 318.421 4.185 20 10 DICDRN CCCN(Cc1ccccc1O)c1nc2c(cccc2F)o1 ZINC000784301890 1046679967 /nfs/dbraw/zinc/67/99/67/1046679967.db2.gz ZUGZIXCHFJCNBA-UHFFFAOYSA-N 0 0 300.333 4.089 20 10 DICDRN C[C@@H](Nc1ccccc1OCCF)c1cc(F)cc(F)c1O ZINC000834843760 1046684162 /nfs/dbraw/zinc/68/41/62/1046684162.db2.gz KNGYGTVFOLIBEF-SNVBAGLBSA-N 0 0 311.303 4.192 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)CCCCO)c1cc(Cl)cc(Cl)c1[O-] ZINC000834876555 1046693152 /nfs/dbraw/zinc/69/31/52/1046693152.db2.gz CMSJHQIJNJZIPF-HZMBPMFUSA-N 0 0 320.260 4.291 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)CCCCO)c1ccc(Cl)c(Cl)c1[O-] ZINC000834877721 1046693425 /nfs/dbraw/zinc/69/34/25/1046693425.db2.gz LBBKONAXQQRKHJ-GWCFXTLKSA-N 0 0 320.260 4.291 20 10 DICDRN CC[C@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)c1ccc(F)cc1[O-] ZINC000834876311 1046693497 /nfs/dbraw/zinc/69/34/97/1046693497.db2.gz FEPBGSXQKHFCTR-OAUYIBNBSA-N 0 0 315.388 4.484 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)CCCCO)c1cc(Cl)cc(Cl)c1[O-] ZINC000834876556 1046693657 /nfs/dbraw/zinc/69/36/57/1046693657.db2.gz CMSJHQIJNJZIPF-IINYFYTJSA-N 0 0 320.260 4.291 20 10 DICDRN CC[C@@](C)(C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])OC ZINC000834882116 1046696639 /nfs/dbraw/zinc/69/66/39/1046696639.db2.gz HYISVZCVKNMSCP-XPTSAGLGSA-N 0 0 306.233 4.165 20 10 DICDRN CC[C@H]([NH2+]CCc1ncccc1C)c1cccc(Cl)c1[O-] ZINC000834884678 1046696716 /nfs/dbraw/zinc/69/67/16/1046696716.db2.gz AZRQPHOXNZUTIG-HNNXBMFYSA-N 0 0 304.821 4.032 20 10 DICDRN CC[C@@](C)(C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-])OC ZINC000834882115 1046696730 /nfs/dbraw/zinc/69/67/30/1046696730.db2.gz HYISVZCVKNMSCP-OTYXRUKQSA-N 0 0 306.233 4.165 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)c1nccn1CC)c1cccc(Cl)c1[O-] ZINC000834892628 1046703609 /nfs/dbraw/zinc/70/36/09/1046703609.db2.gz CCHGKCORQRPNCO-FZMZJTMJSA-N 0 0 307.825 4.064 20 10 DICDRN CCCC(C)(C)CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000784813461 1046710979 /nfs/dbraw/zinc/71/09/79/1046710979.db2.gz OPIFEAKPYXXCDE-UHFFFAOYSA-N 0 0 302.462 4.119 20 10 DICDRN C[C@H]([NH2+][C@H]1CCCN(C)c2ccccc21)c1ccc(F)cc1[O-] ZINC000834901897 1046713473 /nfs/dbraw/zinc/71/34/73/1046713473.db2.gz BALJRHPVOQTDCX-GUYCJALGSA-N 0 0 314.404 4.153 20 10 DICDRN CC[C@@H]([NH2+]CCCOc1ccccc1)c1ccc(F)cc1[O-] ZINC000796678888 1046716110 /nfs/dbraw/zinc/71/61/10/1046716110.db2.gz KMHZYSSDXOUMMY-QGZVFWFLSA-N 0 0 303.377 4.041 20 10 DICDRN Cc1ccc(CC[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])nc1 ZINC000834911377 1046718041 /nfs/dbraw/zinc/71/80/41/1046718041.db2.gz YRIKAIFLVVBAMB-GFCCVEGCSA-N 0 0 324.346 4.008 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)c1ccc(F)cc1[O-] ZINC000796695252 1046718418 /nfs/dbraw/zinc/71/84/18/1046718418.db2.gz OESNXKMWXCINIG-LYRGGWFBSA-N 0 0 303.377 4.489 20 10 DICDRN CCOc1ccc(C[NH2+][C@H](CC)c2ccc(F)cc2[O-])cc1F ZINC000796753156 1046726522 /nfs/dbraw/zinc/72/65/22/1046726522.db2.gz BPZFRHOZDYYEKG-MRXNPFEDSA-N 0 0 321.367 4.310 20 10 DICDRN CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1nc(Cl)ccc1C ZINC001140446047 1046726867 /nfs/dbraw/zinc/72/68/67/1046726867.db2.gz BSZDYERIBHPELU-UHFFFAOYSA-N 0 0 317.864 4.132 20 10 DICDRN CC[C@@H]([NH2+]CCc1ccc(F)cc1F)c1ccc(F)cc1[O-] ZINC000796758085 1046729177 /nfs/dbraw/zinc/72/91/77/1046729177.db2.gz AHIZGPDGVBNFOG-MRXNPFEDSA-N 0 0 309.331 4.093 20 10 DICDRN CC[C@H]([NH2+][C@@H]1COc2ccc(C)cc21)c1ccc(F)cc1[O-] ZINC000796833012 1046742293 /nfs/dbraw/zinc/74/22/93/1046742293.db2.gz VRDJWVYKRRHJDY-JKSUJKDBSA-N 0 0 301.361 4.014 20 10 DICDRN CC(=O)Nc1ccc(NC/C=C\c2ccc(N(C)C)cc2)cc1C ZINC000835031339 1046743096 /nfs/dbraw/zinc/74/30/96/1046743096.db2.gz MKZIXMAOTLVEGC-WAYWQWQTSA-N 0 0 323.440 4.145 20 10 DICDRN CC[C@@H]([NH2+][C@H]1COc2ccc(Cl)cc21)c1ccc(F)cc1[O-] ZINC000796831909 1046743035 /nfs/dbraw/zinc/74/30/35/1046743035.db2.gz KMMXKXPUUDBVMA-CABCVRRESA-N 0 0 321.779 4.359 20 10 DICDRN CC[C@H]([NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1ccc(F)cc1[O-] ZINC000796834921 1046743337 /nfs/dbraw/zinc/74/33/37/1046743337.db2.gz IMUJTLHXZVKFOO-FTEYMNFISA-N 0 0 311.400 4.158 20 10 DICDRN CC(=O)Nc1cccc(NC/C=C\c2ccc(N(C)C)cc2)c1C ZINC000835030050 1046744181 /nfs/dbraw/zinc/74/41/81/1046744181.db2.gz VKYXJUIKHHOFLJ-SREVYHEPSA-N 0 0 323.440 4.145 20 10 DICDRN CCC(=O)Nc1ccc(NC/C=C/c2ccc(N(C)C)cc2)cc1 ZINC000835030448 1046744489 /nfs/dbraw/zinc/74/44/89/1046744489.db2.gz DKBZBTGRJRFTHI-AATRIKPKSA-N 0 0 323.440 4.226 20 10 DICDRN CN(Cc1ccccc1O)Cc1c(Cl)ccc(F)c1Cl ZINC001137358479 1046747351 /nfs/dbraw/zinc/74/73/51/1046747351.db2.gz PRJRJLGJYXZPHE-UHFFFAOYSA-N 0 0 314.187 4.470 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCC1CC(F)(F)C1 ZINC000835060401 1046750400 /nfs/dbraw/zinc/75/04/00/1046750400.db2.gz LJGXNYRFKANPAP-UHFFFAOYSA-N 0 0 310.171 4.224 20 10 DICDRN CC[C@H](Nc1ccc(N2CCCC2)nc1)c1ccc(F)cc1O ZINC000796887060 1046751746 /nfs/dbraw/zinc/75/17/46/1046751746.db2.gz DTWWXLPTLHROEC-INIZCTEOSA-N 0 0 315.392 4.090 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CCO[C@H](CC(C)C)C1)c1ccc(F)cc1[O-] ZINC000796895987 1046753033 /nfs/dbraw/zinc/75/30/33/1046753033.db2.gz HAGNNHHBYCCCBA-INMHGKMJSA-N 0 0 309.425 4.166 20 10 DICDRN CC[C@@H](Nc1ccn(-c2ccccc2)n1)c1ccc(F)cc1O ZINC000796895706 1046753948 /nfs/dbraw/zinc/75/39/48/1046753948.db2.gz FABFVHGCBXDHRR-MRXNPFEDSA-N 0 0 311.360 4.280 20 10 DICDRN CC[C@@H](Nc1cc2c(cc1C)OCO2)c1ccc(F)cc1O ZINC000796934388 1046761082 /nfs/dbraw/zinc/76/10/82/1046761082.db2.gz CDJLFEBXCNPENR-CYBMUJFWSA-N 0 0 303.333 4.132 20 10 DICDRN CC[C@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000796991923 1046767763 /nfs/dbraw/zinc/76/77/63/1046767763.db2.gz ZBRITBXMESRARL-LOUJCGABSA-N 0 0 309.425 4.166 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)c1c(F)cccc1OC)c1ccc(F)cc1[O-] ZINC000796782507 1046783132 /nfs/dbraw/zinc/78/31/32/1046783132.db2.gz AYISTBUGHMUFMX-NHYWBVRUSA-N 0 0 321.367 4.481 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccc(C)cc1)c1ccc(F)cc1[O-] ZINC000797062949 1046784990 /nfs/dbraw/zinc/78/49/90/1046784990.db2.gz WIDUGOAAFOFHKS-SOVGHPHASA-N 0 0 317.404 4.003 20 10 DICDRN CCN(C)c1ccc([C@@H](C)N[C@@H](C)c2c(F)cncc2F)cc1 ZINC000797126525 1046793756 /nfs/dbraw/zinc/79/37/56/1046793756.db2.gz MTENUVGCXJVWJH-OLZOCXBDSA-N 0 0 319.399 4.228 20 10 DICDRN Cc1ccccc1-c1noc([C@@H](C)Sc2nccs2)n1 ZINC000075076428 1046810173 /nfs/dbraw/zinc/81/01/73/1046810173.db2.gz WFUBCDRYUMBUAC-SNVBAGLBSA-N 0 0 303.412 4.355 20 10 DICDRN Cc1ccc(O)c(C[N@H+](Cc2ccccc2)Cc2ccncc2)c1 ZINC001140617474 1046812419 /nfs/dbraw/zinc/81/24/19/1046812419.db2.gz QHHBPFQCZMBMAE-UHFFFAOYSA-N 0 0 318.420 4.298 20 10 DICDRN Cc1ccc(O)c(CN2CC[C@@H](c3ccccc3)C(F)(F)C2)c1 ZINC001140624446 1046818193 /nfs/dbraw/zinc/81/81/93/1046818193.db2.gz WWJYRSOQNNJXHP-KRWDZBQOSA-N 0 0 317.379 4.325 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)CCC1CCCCC1 ZINC000303104079 1046872303 /nfs/dbraw/zinc/87/23/03/1046872303.db2.gz IWYTYARXTJPYNB-UHFFFAOYSA-N 0 0 303.446 4.491 20 10 DICDRN Cn1c(-c2ccccc2)cnc1SCCOC1CCCC1 ZINC000797614163 1046872330 /nfs/dbraw/zinc/87/23/30/1046872330.db2.gz UFWUCVVMIQEDNU-UHFFFAOYSA-N 0 0 302.443 4.138 20 10 DICDRN Cc1cc(O)c(CNc2ccc3c(c2)CCOC3)cc1Cl ZINC000827319467 1046904119 /nfs/dbraw/zinc/90/41/19/1046904119.db2.gz DDTSFHFVOCOPLZ-UHFFFAOYSA-N 0 0 303.789 4.039 20 10 DICDRN C[C@@H]([NH2+][C@H]1C[C@H](c2cccc(F)c2)C1)c1cc(F)cc(F)c1[O-] ZINC000797998183 1046917899 /nfs/dbraw/zinc/91/78/99/1046917899.db2.gz BIBPDVCLRPOYFX-IXPVHAAZSA-N 0 0 321.342 4.406 20 10 DICDRN CSc1ccc(CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000797999192 1046918482 /nfs/dbraw/zinc/91/84/82/1046918482.db2.gz RBUIKDUVELNIRO-LBPRGKRZSA-N 0 0 305.418 4.147 20 10 DICDRN CN(C)c1ccc(CN(C)C(=O)/C(F)=C/C2CCCCC2)cc1 ZINC000798153249 1046932596 /nfs/dbraw/zinc/93/25/96/1046932596.db2.gz PULBDZMICSCDNF-AQTBWJFISA-N 0 0 318.436 4.145 20 10 DICDRN C[C@@H]1[C@H](O)CCN1C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000836190781 1046932776 /nfs/dbraw/zinc/93/27/76/1046932776.db2.gz ANCMRBGVUVIAFP-CXAGYDPISA-N 0 0 324.384 4.089 20 10 DICDRN CSC(C)(C)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000798184188 1046933883 /nfs/dbraw/zinc/93/38/83/1046933883.db2.gz RKPZXOZPNBOTPZ-VIFPVBQESA-N 0 0 307.381 4.203 20 10 DICDRN Cc1cc(O)c(CNc2cc(-c3ccnn3C)ccc2C)cc1C ZINC000798502077 1046957700 /nfs/dbraw/zinc/95/77/00/1046957700.db2.gz SPYIMYBQMWIWRG-UHFFFAOYSA-N 0 0 321.424 4.330 20 10 DICDRN Cc1ccc(CN2CC[C@@H](c3ccccc3)C(F)(F)C2)c(O)c1 ZINC001140954348 1046960337 /nfs/dbraw/zinc/96/03/37/1046960337.db2.gz QYWWREURGRFMTQ-KRWDZBQOSA-N 0 0 317.379 4.325 20 10 DICDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccoc1C1CC1 ZINC000798934858 1046990742 /nfs/dbraw/zinc/99/07/42/1046990742.db2.gz GULYDPWBXKBJPS-UHFFFAOYSA-N 0 0 324.424 4.077 20 10 DICDRN CCC(CC)(CC)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000303834588 1046992066 /nfs/dbraw/zinc/99/20/66/1046992066.db2.gz BZJSJWIWBAZKAQ-UHFFFAOYSA-N 0 0 313.445 4.188 20 10 DICDRN O=C(Nc1cccc(N2CCCCCC2)c1)c1ccccc1O ZINC000303853966 1046997864 /nfs/dbraw/zinc/99/78/64/1046997864.db2.gz OPSGEMXMTXTMTO-UHFFFAOYSA-N 0 0 310.397 4.025 20 10 DICDRN CCN(Cc1cnc2ccccc2c1)c1ccc(OC)c(OC)c1 ZINC000799129564 1047002199 /nfs/dbraw/zinc/00/21/99/1047002199.db2.gz QCCJYHQHJOOHPC-UHFFFAOYSA-N 0 0 322.408 4.279 20 10 DICDRN CN(c1ccc(CNC(=O)C2CC=CC2)cc1)C1CCCCC1 ZINC000303914772 1047003900 /nfs/dbraw/zinc/00/39/00/1047003900.db2.gz UWWSWJKIXAFRCJ-UHFFFAOYSA-N 0 0 312.457 4.038 20 10 DICDRN O=C(Nc1cccc(N2CCCCCC2)c1)c1cccc(F)c1 ZINC000303944998 1047008379 /nfs/dbraw/zinc/00/83/79/1047008379.db2.gz ZDTZVSKEZGAPEJ-UHFFFAOYSA-N 0 0 312.388 4.458 20 10 DICDRN CCN(C(=O)/C=C\c1cnc(C)s1)c1ccc(Cl)cc1F ZINC000799409860 1047027814 /nfs/dbraw/zinc/02/78/14/1047027814.db2.gz SKCFNFWFYABLSL-ALCCZGGFSA-N 0 0 324.808 4.310 20 10 DICDRN Cc1cc(CN(C)Cc2cscn2)ccc1N1CCCCC1 ZINC000827491710 1047072887 /nfs/dbraw/zinc/07/28/87/1047072887.db2.gz PADVHYLRHVSUSI-UHFFFAOYSA-N 0 0 315.486 4.074 20 10 DICDRN O=[N+]([O-])c1cnc(SCc2cccc3ccccc32)s1 ZINC000799933840 1047075622 /nfs/dbraw/zinc/07/56/22/1047075622.db2.gz CFAYFHCCCCIEQD-UHFFFAOYSA-N 0 0 302.380 4.497 20 10 DICDRN CCCCNc1nnc(Sc2ncc(Cl)s2)s1 ZINC001116602278 1047161978 /nfs/dbraw/zinc/16/19/78/1047161978.db2.gz KTRDCOBTHSYXMR-UHFFFAOYSA-N 0 0 306.869 4.011 20 10 DICDRN Cc1cc(CNCc2ccc(N(C)C3CCCCC3)cc2)no1 ZINC000838919439 1047173503 /nfs/dbraw/zinc/17/35/03/1047173503.db2.gz JDSQIMNGENPRFE-UHFFFAOYSA-N 0 0 313.445 4.042 20 10 DICDRN COc1ccc(NCc2cc(C)c(C)cc2O)cc1SC ZINC000839150114 1047198399 /nfs/dbraw/zinc/19/83/99/1047198399.db2.gz HLTZIZRBPKWPKT-UHFFFAOYSA-N 0 0 303.427 4.352 20 10 DICDRN C[C@@H](CCCc1cccnc1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000839151528 1047198465 /nfs/dbraw/zinc/19/84/65/1047198465.db2.gz WZQILHJBWDUMKR-LBPRGKRZSA-N 0 0 322.811 4.081 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1CCC(C(F)F)CC1 ZINC000839179584 1047203160 /nfs/dbraw/zinc/20/31/60/1047203160.db2.gz LPKMVRSZYGFYOG-UHFFFAOYSA-N 0 0 307.743 4.098 20 10 DICDRN CC(C)CCCC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000839297348 1047211067 /nfs/dbraw/zinc/21/10/67/1047211067.db2.gz HPCVSTBLLNHXFW-UHFFFAOYSA-N 0 0 322.412 4.161 20 10 DICDRN CN(c1ccc(CNC(=O)C2=CCCC2)cc1)C1CCCCC1 ZINC000760464335 1047241179 /nfs/dbraw/zinc/24/11/79/1047241179.db2.gz YYLZFNGJLXPBPK-UHFFFAOYSA-N 0 0 312.457 4.182 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000839760327 1047266551 /nfs/dbraw/zinc/26/65/51/1047266551.db2.gz VVBOFJQZGONANG-MOPGFXCFSA-N 0 0 323.436 4.325 20 10 DICDRN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc(N)cc1 ZINC000385463767 1047273943 /nfs/dbraw/zinc/27/39/43/1047273943.db2.gz LEBXZRAULRHUKP-CQSZACIVSA-N 0 0 309.413 4.101 20 10 DICDRN CCSCc1ccccc1C(=O)N[C@H](C)c1ccccc1O ZINC000827946341 1047279660 /nfs/dbraw/zinc/27/96/60/1047279660.db2.gz DXUYJFFPBFNFCG-CYBMUJFWSA-N 0 0 315.438 4.136 20 10 DICDRN C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1ccccc1O ZINC000827952442 1047283845 /nfs/dbraw/zinc/28/38/45/1047283845.db2.gz SFSIOGHGTKITQO-XFBWCDHKSA-N 0 0 315.800 4.027 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccccc1OC ZINC000387664708 1047284554 /nfs/dbraw/zinc/28/45/54/1047284554.db2.gz BFILFZSBKVKONP-BLLLJJGKSA-N 0 0 303.377 4.342 20 10 DICDRN C[C@H]([NH2+]Cc1ccsc1Br)c1ccccc1O ZINC000388547636 1047286735 /nfs/dbraw/zinc/28/67/35/1047286735.db2.gz JEXUWVITWBMZAZ-VIFPVBQESA-N 0 0 312.232 4.067 20 10 DICDRN Cc1cc(-c2nnc([C@H]3CCO[C@@H]3C)o2)c(C)n1-c1ccccc1 ZINC001118414886 1047289304 /nfs/dbraw/zinc/28/93/04/1047289304.db2.gz LTCAQHFPAYCPEI-ZBFHGGJFSA-N 0 0 323.396 4.037 20 10 DICDRN Cc1cc(-c2nnc([C@@H]3CCO[C@H]3C)o2)c(C)n1-c1ccccc1 ZINC001118414884 1047289832 /nfs/dbraw/zinc/28/98/32/1047289832.db2.gz LTCAQHFPAYCPEI-GOEBONIOSA-N 0 0 323.396 4.037 20 10 DICDRN C[N@H+](Cc1cc(F)c(F)cc1[O-])C12CC3CC(CC(C3)C1)C2 ZINC001142520469 1047292006 /nfs/dbraw/zinc/29/20/06/1047292006.db2.gz KBEORLCYBBITHG-UHFFFAOYSA-N 0 0 307.384 4.071 20 10 DICDRN CC(C)(COCc1ccccc1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000389954831 1047293406 /nfs/dbraw/zinc/29/34/06/1047293406.db2.gz DJWDVSZRGZYGDB-UHFFFAOYSA-N 0 0 319.832 4.131 20 10 DICDRN CC[C@@H]1c2ccccc2CC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142527139 1047308974 /nfs/dbraw/zinc/30/89/74/1047308974.db2.gz MAIGCLDIEDAIKI-QGZVFWFLSA-N 0 0 303.352 4.180 20 10 DICDRN CC[C@@H](C)Oc1cccc(NCc2cccc(OC)c2O)c1 ZINC000393369403 1047309004 /nfs/dbraw/zinc/30/90/04/1047309004.db2.gz CQLVXVOASUKOTG-CYBMUJFWSA-N 0 0 301.386 4.190 20 10 DICDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001142527125 1047309843 /nfs/dbraw/zinc/30/98/43/1047309843.db2.gz LLRRYOWPKZVKKS-LBPRGKRZSA-N 0 0 323.770 4.313 20 10 DICDRN CC(C)(C)c1ncc(C[NH2+]Cc2cccc(Cl)c2[O-])s1 ZINC000898219919 1047323658 /nfs/dbraw/zinc/32/36/58/1047323658.db2.gz PKEAXGUXGDSKBD-UHFFFAOYSA-N 0 0 310.850 4.089 20 10 DICDRN CC[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])CC(F)(F)F ZINC000840877149 1047351998 /nfs/dbraw/zinc/35/19/98/1047351998.db2.gz UPKFVNILZOMCKY-BDAKNGLRSA-N 0 0 311.294 4.300 20 10 DICDRN COC1([C@H](C)[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])CCC1 ZINC000840884598 1047353421 /nfs/dbraw/zinc/35/34/21/1047353421.db2.gz NJHRZYWHRYYQPD-QWRGUYRKSA-N 0 0 317.351 4.019 20 10 DICDRN Cc1oc(C(C)C)cc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000796501761 1047354610 /nfs/dbraw/zinc/35/46/10/1047354610.db2.gz PSPTYBZVBOGTRX-UHFFFAOYSA-N 0 0 314.429 4.016 20 10 DICDRN CC[C@@H](NCc1nnc(C2CC2)s1)c1cc(Cl)ccc1O ZINC000840891645 1047357057 /nfs/dbraw/zinc/35/70/57/1047357057.db2.gz ROZGTDOVXQKFMZ-GFCCVEGCSA-N 0 0 323.849 4.015 20 10 DICDRN CO[C@H]1Cc2ccc(NCc3c(O)cc(C)cc3Cl)cc2C1 ZINC000840937136 1047361059 /nfs/dbraw/zinc/36/10/59/1047361059.db2.gz PDBHAUJYEZXOMG-HNNXBMFYSA-N 0 0 317.816 4.080 20 10 DICDRN Oc1ccc2ccncc2c1CN1CCCc2ccc(F)cc21 ZINC000726589177 1047366074 /nfs/dbraw/zinc/36/60/74/1047366074.db2.gz RHKQYLOYGIPOST-UHFFFAOYSA-N 0 0 308.356 4.032 20 10 DICDRN COc1ccc(N(C)Cc2ccc(OC(C)C)cc2)cc1OC ZINC000726597442 1047368227 /nfs/dbraw/zinc/36/82/27/1047368227.db2.gz OUPKCNGQDOQZBJ-UHFFFAOYSA-N 0 0 315.413 4.127 20 10 DICDRN Nc1ccc(N(c2ccccc2)c2cccc(CCO)c2)cc1 ZINC001203117445 1047370998 /nfs/dbraw/zinc/37/09/98/1047370998.db2.gz SGRZTSGVDBAQAJ-UHFFFAOYSA-N 0 0 304.393 4.273 20 10 DICDRN CC(C)c1ccc2c(c1)[C@@H](NC(=O)Nc1ccc(N)cc1)CC2 ZINC000841295544 1047400052 /nfs/dbraw/zinc/40/00/52/1047400052.db2.gz BABKRVKTBMTUNA-SFHVURJKSA-N 0 0 309.413 4.201 20 10 DICDRN CCc1ccc(C2=CCN(C(=O)Nc3ccc(N)cc3)CC2)cc1 ZINC000841296260 1047400284 /nfs/dbraw/zinc/40/02/84/1047400284.db2.gz SGSDVGSLDGFCDD-UHFFFAOYSA-N 0 0 321.424 4.152 20 10 DICDRN Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc(N)cc2)cc1 ZINC000841300239 1047400451 /nfs/dbraw/zinc/40/04/51/1047400451.db2.gz NNNDEQITULMZBS-SFHVURJKSA-N 0 0 309.413 4.336 20 10 DICDRN Nc1ccc(NC(=O)N[C@H](CC2CCC2)c2ccccc2)cc1 ZINC000841295623 1047400551 /nfs/dbraw/zinc/40/05/51/1047400551.db2.gz CWDHTCCKMHMBPB-GOSISDBHSA-N 0 0 309.413 4.322 20 10 DICDRN CC1(c2ccccc2)CCC(NC(=O)Nc2ccc(N)cc2)CC1 ZINC000841297172 1047400590 /nfs/dbraw/zinc/40/05/90/1047400590.db2.gz BGXRQLPDSBXSHU-UHFFFAOYSA-N 0 0 323.440 4.291 20 10 DICDRN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(N)cc1 ZINC000841300148 1047400818 /nfs/dbraw/zinc/40/08/18/1047400818.db2.gz OOZCZXFVIAZFRA-OALUTQOASA-N 0 0 323.440 4.459 20 10 DICDRN CC(C)(C)[C@H](NC(=O)Nc1ccc(N)cc1)c1ccc(F)cc1 ZINC000841301178 1047401476 /nfs/dbraw/zinc/40/14/76/1047401476.db2.gz FAKOOGLLINNUIN-MRXNPFEDSA-N 0 0 315.392 4.317 20 10 DICDRN CCc1ccc(CN(C(=O)Nc2ccc(N)cc2)C2CC2)cc1 ZINC000841302051 1047401899 /nfs/dbraw/zinc/40/18/99/1047401899.db2.gz JWYHTSBOZYPEHX-UHFFFAOYSA-N 0 0 309.413 4.028 20 10 DICDRN CC(C)(C)[C@@H]1CN(C(=O)Nc2ccc(N)cc2)c2ccccc21 ZINC000841299736 1047402056 /nfs/dbraw/zinc/40/20/56/1047402056.db2.gz NHMZPVSGOCUIAC-MRXNPFEDSA-N 0 0 309.413 4.451 20 10 DICDRN Nc1ccc(NC(=O)N2CCC(C3CCCCC3)CC2)cc1 ZINC000841302214 1047402149 /nfs/dbraw/zinc/40/21/49/1047402149.db2.gz PNWHXORSVXJSTC-UHFFFAOYSA-N 0 0 301.434 4.093 20 10 DICDRN Cc1ccc(CN(C(=O)Nc2ccc(N)cc2)C(C)C)s1 ZINC000841301429 1047402671 /nfs/dbraw/zinc/40/26/71/1047402671.db2.gz OSLWNHZLQHFLTK-UHFFFAOYSA-N 0 0 303.431 4.081 20 10 DICDRN Cc1ccc(C[C@@H]2CCCN(C(=O)Nc3ccc(N)cc3)C2)cc1 ZINC000841301393 1047402992 /nfs/dbraw/zinc/40/29/92/1047402992.db2.gz NLKCRFKXFXHLHL-KRWDZBQOSA-N 0 0 323.440 4.064 20 10 DICDRN Nc1ccc(NC(=O)N2CCC[C@@H]2CC2CCCCC2)cc1 ZINC000841301405 1047403048 /nfs/dbraw/zinc/40/30/48/1047403048.db2.gz NXGOXIGGQBGSBD-QGZVFWFLSA-N 0 0 301.434 4.236 20 10 DICDRN CCc1ccc([C@@H](NC(=O)Nc2ccc(N)cc2)C(C)C)cc1 ZINC000841302313 1047403436 /nfs/dbraw/zinc/40/34/36/1047403436.db2.gz SMJMLIGKRJUKRJ-SFHVURJKSA-N 0 0 311.429 4.350 20 10 DICDRN Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(N)cc2)cc1C ZINC000841301449 1047403628 /nfs/dbraw/zinc/40/36/28/1047403628.db2.gz PRKBIZCSULLYDC-SFHVURJKSA-N 0 0 309.413 4.255 20 10 DICDRN CCOc1cc(C)ccc1C[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000796794115 1047408749 /nfs/dbraw/zinc/40/87/49/1047408749.db2.gz YVRLJXFUIWQPKR-QGZVFWFLSA-N 0 0 317.404 4.479 20 10 DICDRN Cc1cscc1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000749320065 1047409589 /nfs/dbraw/zinc/40/95/89/1047409589.db2.gz XKVDPASAEWJJNE-UHFFFAOYSA-N 0 0 316.470 4.173 20 10 DICDRN C[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)C1CCCC1 ZINC000749362825 1047413313 /nfs/dbraw/zinc/41/33/13/1047413313.db2.gz DBNUXGAOGXXQCM-MRXNPFEDSA-N 0 0 314.473 4.119 20 10 DICDRN Cc1ccc(C(=O)Nc2cccc(N3CCCCC3)c2)c(F)c1 ZINC000749355221 1047413753 /nfs/dbraw/zinc/41/37/53/1047413753.db2.gz KPFWRPQQGLIBSF-UHFFFAOYSA-N 0 0 312.388 4.377 20 10 DICDRN c1cnn(-c2ccc(COc3ccc(N4CCCC4)cc3)cc2)c1 ZINC000749795949 1047436552 /nfs/dbraw/zinc/43/65/52/1047436552.db2.gz NXLLYYKXGPZZHV-UHFFFAOYSA-N 0 0 319.408 4.052 20 10 DICDRN c1cn(-c2ccccc2)nc1COc1ccc(N2CCCC2)cc1 ZINC000749790963 1047437113 /nfs/dbraw/zinc/43/71/13/1047437113.db2.gz JMNYTKFWSMKTEO-UHFFFAOYSA-N 0 0 319.408 4.052 20 10 DICDRN Cc1cc(N(C)C)ccc1CNC(=O)CC[C@H](C)c1ccccc1 ZINC000749839709 1047439965 /nfs/dbraw/zinc/43/99/65/1047439965.db2.gz ICNCRSIUYUDBJC-INIZCTEOSA-N 0 0 324.468 4.261 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1ccc(Cl)cc1O ZINC000841748276 1047448207 /nfs/dbraw/zinc/44/82/07/1047448207.db2.gz JTXRNQRQHTVMGZ-ZUZCIYMTSA-N 0 0 321.779 4.359 20 10 DICDRN CC(C)C[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CCO1 ZINC000841753167 1047452052 /nfs/dbraw/zinc/45/20/52/1047452052.db2.gz KKMOSSMWMGCDHW-NWANDNLSSA-N 0 0 311.853 4.290 20 10 DICDRN C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841757990 1047453551 /nfs/dbraw/zinc/45/35/51/1047453551.db2.gz JLIXSOIQRAIFGV-IGCXYCKISA-N 0 0 319.832 4.208 20 10 DICDRN CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CCO1 ZINC000841757610 1047453971 /nfs/dbraw/zinc/45/39/71/1047453971.db2.gz NVLXWFHGCZWSDN-DCGLDWPTSA-N 0 0 311.853 4.147 20 10 DICDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC001142521074 1047465366 /nfs/dbraw/zinc/46/53/66/1047465366.db2.gz WPPWTYPLLNDYSO-AWEZNQCLSA-N 0 0 303.352 4.050 20 10 DICDRN CN(C)c1ccc(/C=C/c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC001142679731 1047479473 /nfs/dbraw/zinc/47/94/73/1047479473.db2.gz MFVOAZJAYUNNNF-ONEGZZNKSA-N 0 0 306.409 4.272 20 10 DICDRN C[C@@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])CC(F)F ZINC000842889580 1047512428 /nfs/dbraw/zinc/51/24/28/1047512428.db2.gz BGOUBKJYAHNKPV-RKDXNWHRSA-N 0 0 311.294 4.353 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCS[C@@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000842927873 1047513913 /nfs/dbraw/zinc/51/39/13/1047513913.db2.gz GGILMHXMGCRXFR-VAOFZXAKSA-N 0 0 306.258 4.244 20 10 DICDRN Cc1ccccc1[C@H](c1noc(Cc2ccc(N)cc2)n1)C(C)C ZINC000843233176 1047535185 /nfs/dbraw/zinc/53/51/85/1047535185.db2.gz HBMJTNAABOHBMD-LJQANCHMSA-N 0 0 321.424 4.339 20 10 DICDRN CC(C)(C)c1ccccc1NC(=O)N1Cc2cccc(O)c2C1 ZINC000929193691 1047564217 /nfs/dbraw/zinc/56/42/17/1047564217.db2.gz DJABNYNNLQPIEJ-UHFFFAOYSA-N 0 0 310.397 4.237 20 10 DICDRN CCCc1ccccc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001150385398 1047576556 /nfs/dbraw/zinc/57/65/56/1047576556.db2.gz BUDWLMXYAHUGLY-UHFFFAOYSA-N 0 0 323.436 4.154 20 10 DICDRN Cc1cc(C(=O)N[C@H](C)c2ccccc2O)c(C)cc1Cl ZINC001151885845 1047603193 /nfs/dbraw/zinc/60/31/93/1047603193.db2.gz JXKGLGVNYDMKJU-GFCCVEGCSA-N 0 0 303.789 4.153 20 10 DICDRN Cc1cc(C)c(/C=C/C(=O)N[C@H](C)c2ccccc2O)cc1C ZINC001151885737 1047603230 /nfs/dbraw/zinc/60/32/30/1047603230.db2.gz FFMCNNXRGUQSAN-ZNFPLGDCSA-N 0 0 309.409 4.208 20 10 DICDRN C/C(=C/C(=O)N[C@@H](C)c1ccccc1O)c1cccc(Cl)c1 ZINC001151892044 1047603277 /nfs/dbraw/zinc/60/32/77/1047603277.db2.gz GHDPQXHLDFTWAY-UKVQZPPCSA-N 0 0 315.800 4.326 20 10 DICDRN C[C@H](NC(=O)CCc1ccc2ccccc2c1)c1ccccc1O ZINC001151892518 1047603541 /nfs/dbraw/zinc/60/35/41/1047603541.db2.gz RBCHEGNFIXRDJN-HNNXBMFYSA-N 0 0 319.404 4.355 20 10 DICDRN CCN(Cc1ccccc1O)c1c(Cl)nccc1SC ZINC001154888372 1047660695 /nfs/dbraw/zinc/66/06/95/1047660695.db2.gz BELSFTBANIDLLI-UHFFFAOYSA-N 0 0 308.834 4.189 20 10 DICDRN CCN(Cc1ccccc1O)c1nc2ccccc2nc1Cl ZINC001154889928 1047661398 /nfs/dbraw/zinc/66/13/98/1047661398.db2.gz LTUNWRNCMZVJPN-UHFFFAOYSA-N 0 0 313.788 4.015 20 10 DICDRN Cc1cc(C(=O)N2CCC=C(C)C2)c(C)n1-c1ccc(F)cc1 ZINC001155786169 1047688075 /nfs/dbraw/zinc/68/80/75/1047688075.db2.gz QDCOYXMMZHOHSK-UHFFFAOYSA-N 0 0 312.388 4.025 20 10 DICDRN C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1cscn1 ZINC000697838601 1047723546 /nfs/dbraw/zinc/72/35/46/1047723546.db2.gz JKGCEGCQJAGGAT-ZETCQYMHSA-N 0 0 303.214 4.006 20 10 DICDRN CN(C)c1ccc(CN(C)c2ncc(F)c3ccccc32)cc1 ZINC001156921390 1047727727 /nfs/dbraw/zinc/72/77/27/1047727727.db2.gz ZDUAYMVXKZLZCT-UHFFFAOYSA-N 0 0 309.388 4.076 20 10 DICDRN CN(C)c1ccc(CN(C)c2ccc3cc(F)ccc3n2)cc1 ZINC001156924020 1047727814 /nfs/dbraw/zinc/72/78/14/1047727814.db2.gz LFNNGQQGQWEKCN-UHFFFAOYSA-N 0 0 309.388 4.076 20 10 DICDRN Cc1cccc(C(=O)NCc2c(O)ccc3ccccc32)c1C ZINC001157041561 1047734094 /nfs/dbraw/zinc/73/40/94/1047734094.db2.gz JEVNRHHGDFNMFN-UHFFFAOYSA-N 0 0 305.377 4.092 20 10 DICDRN Cc1cc(Nc2ccc3c(c2)CCCN3)cc(Br)n1 ZINC001159233438 1047823042 /nfs/dbraw/zinc/82/30/42/1047823042.db2.gz PHWJCNXAWUVKQX-UHFFFAOYSA-N 0 0 318.218 4.254 20 10 DICDRN c1nnc2cc(Nc3ccc(NCc4ccccc4)cc3)ccn12 ZINC001159254288 1047823709 /nfs/dbraw/zinc/82/37/09/1047823709.db2.gz FNBXFZLGFHZNPB-UHFFFAOYSA-N 0 0 315.380 4.085 20 10 DICDRN Fc1cnc(Br)cc1Nc1ccc2c(c1)CCCN2 ZINC001159272785 1047825836 /nfs/dbraw/zinc/82/58/36/1047825836.db2.gz PFIBFPTYVZZRRW-UHFFFAOYSA-N 0 0 322.181 4.085 20 10 DICDRN Nc1ccc(Nc2ccnn2-c2cccc(C(F)(F)F)c2)cc1 ZINC001159355214 1047835372 /nfs/dbraw/zinc/83/53/72/1047835372.db2.gz WVBFVIVHIJNORU-UHFFFAOYSA-N 0 0 318.302 4.217 20 10 DICDRN Nc1ccc(Nc2ccc(Br)c3cccnc23)cc1 ZINC001159458716 1047849897 /nfs/dbraw/zinc/84/98/97/1047849897.db2.gz ZRQDCTOJRSCNKB-UHFFFAOYSA-N 0 0 314.186 4.323 20 10 DICDRN Nc1ccc(C(F)(F)F)cc1Nc1ccc2c(c1)CCCN2 ZINC001159477741 1047853079 /nfs/dbraw/zinc/85/30/79/1047853079.db2.gz PWVSWOKZXDMIMJ-UHFFFAOYSA-N 0 0 307.319 4.389 20 10 DICDRN Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@H](C)C2 ZINC001182882097 1047854302 /nfs/dbraw/zinc/85/43/02/1047854302.db2.gz RDZLSJLXUYDIMR-PXAZEXFGSA-N 0 0 301.817 4.377 20 10 DICDRN COc1cccc(NCc2ccc(Br)cc2O)c1C ZINC001182890124 1047857306 /nfs/dbraw/zinc/85/73/06/1047857306.db2.gz AIWAURFKDRTEBU-UHFFFAOYSA-N 0 0 322.202 4.084 20 10 DICDRN CCCCC[C@H](CC)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000775779674 1047865760 /nfs/dbraw/zinc/86/57/60/1047865760.db2.gz DQVFLHSBEMXPQP-KBPBESRZSA-N 0 0 307.434 4.185 20 10 DICDRN Nc1ccc(Cc2ccccc2Nc2ccc3cn[nH]c3c2)cc1 ZINC001174501421 1047870637 /nfs/dbraw/zinc/87/06/37/1047870637.db2.gz ROQHVNPABYBMLO-UHFFFAOYSA-N 0 0 314.392 4.480 20 10 DICDRN Nc1ccc(N(Cc2ccccc2)c2ccc3cn[nH]c3c2)cc1 ZINC001174501345 1047871661 /nfs/dbraw/zinc/87/16/61/1047871661.db2.gz OCCJYMNHBSHQQK-UHFFFAOYSA-N 0 0 314.392 4.483 20 10 DICDRN CNC(=O)c1ccc(N(c2ccccc2)c2ccc(N)cc2)cc1 ZINC001174511898 1047874809 /nfs/dbraw/zinc/87/48/09/1047874809.db2.gz CTIGWQYDOZXPCG-UHFFFAOYSA-N 0 0 317.392 4.098 20 10 DICDRN Cc1cc(O)ccc1Nc1ccccc1C(=O)c1ccncc1 ZINC001174566698 1047906455 /nfs/dbraw/zinc/90/64/55/1047906455.db2.gz XOXNSCKGQUSPPV-UHFFFAOYSA-N 0 0 304.349 4.070 20 10 DICDRN Nc1ccc(Nc2cccc3ncc(Br)cc32)cc1 ZINC001159723578 1047910761 /nfs/dbraw/zinc/91/07/61/1047910761.db2.gz WNGWOFWNVLFPQZ-UHFFFAOYSA-N 0 0 314.186 4.323 20 10 DICDRN Nc1ccc(Nc2ccc3scnc3c2Br)cc1 ZINC001159737179 1047912753 /nfs/dbraw/zinc/91/27/53/1047912753.db2.gz WGTOPKOMSOXIQM-UHFFFAOYSA-N 0 0 320.215 4.385 20 10 DICDRN Oc1c(Cl)cccc1CNc1cc(F)cc(OC(F)F)c1 ZINC001183444149 1047928998 /nfs/dbraw/zinc/92/89/98/1047928998.db2.gz MNYLOZSENRNMIX-UHFFFAOYSA-N 0 0 317.694 4.398 20 10 DICDRN CCCc1nc(CN[C@@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000775830638 1047933341 /nfs/dbraw/zinc/93/33/41/1047933341.db2.gz LKUIPDFLNIFTHT-ZDUSSCGKSA-N 0 0 303.475 4.012 20 10 DICDRN COC(=O)c1cc(Nc2ccc(N)cc2)c(Cl)cc1Cl ZINC001159826732 1047933285 /nfs/dbraw/zinc/93/32/85/1047933285.db2.gz GBUVDTKDXOYTQK-UHFFFAOYSA-N 0 0 311.168 4.106 20 10 DICDRN CCCCN(C(=O)c1ccc(C)c(O)c1O)[C@@H]1CCC[C@@H](C)C1 ZINC001159889992 1047941856 /nfs/dbraw/zinc/94/18/56/1047941856.db2.gz CHLCSGQDIWSZNH-UKRRQHHQSA-N 0 0 319.445 4.227 20 10 DICDRN O=C(C1=CC(=O)CS1)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000774657343 1047949192 /nfs/dbraw/zinc/94/91/92/1047949192.db2.gz JWISLYFAASXGHR-AWEZNQCLSA-N 0 0 321.829 4.475 20 10 DICDRN Cc1cccc(C)c1NC(=S)NCc1ccc2ccccc2n1 ZINC001198372288 1047949739 /nfs/dbraw/zinc/94/97/39/1047949739.db2.gz AHFZLGIWAAFMTQ-UHFFFAOYSA-N 0 0 321.449 4.338 20 10 DICDRN C[C@]1(F)CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001203574248 1047954344 /nfs/dbraw/zinc/95/43/44/1047954344.db2.gz RECBVXIBSBOSKK-AWEZNQCLSA-N 0 0 306.208 4.413 20 10 DICDRN CC(C)(C)OC(=O)c1ccc(Nc2ccc(N)cc2)c(F)c1 ZINC001159996268 1047965611 /nfs/dbraw/zinc/96/56/11/1047965611.db2.gz UOHZDDMUPHNDGP-UHFFFAOYSA-N 0 0 302.349 4.107 20 10 DICDRN Cc1cc(C(=O)NCC[C@H](C)F)c(C)n1-c1cccc(Cl)c1 ZINC001160096001 1047979584 /nfs/dbraw/zinc/97/95/84/1047979584.db2.gz CWFQPDLVJRCKCJ-NSHDSACASA-N 0 0 322.811 4.225 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)CC1CCC1 ZINC001183925802 1047985027 /nfs/dbraw/zinc/98/50/27/1047985027.db2.gz ITLFHRABEGHULU-UHFFFAOYSA-N 0 0 316.489 4.318 20 10 DICDRN CN(C)c1ccc(Nc2ccccc2C(=O)c2ccncc2)cc1 ZINC001174883463 1047993794 /nfs/dbraw/zinc/99/37/94/1047993794.db2.gz CVKYZLACVXYXOT-UHFFFAOYSA-N 0 0 317.392 4.122 20 10 DICDRN CCCCc1cc(NCc2cc3ccccc3cc2O)ncn1 ZINC001160205896 1047995376 /nfs/dbraw/zinc/99/53/76/1047995376.db2.gz BKOATAHXWWUGRJ-UHFFFAOYSA-N 0 0 307.397 4.290 20 10 DICDRN CC(C)(C)Oc1ccnc(NCc2cc3ccccc3cc2O)n1 ZINC001160205818 1047995419 /nfs/dbraw/zinc/99/54/19/1047995419.db2.gz BUJXHZCCQMSLFT-UHFFFAOYSA-N 0 0 323.396 4.125 20 10 DICDRN CC(C)(C)c1cc(NCc2cc3ccccc3cc2O)ncn1 ZINC001160206574 1047995438 /nfs/dbraw/zinc/99/54/38/1047995438.db2.gz KYDHZGAUHFHJBD-UHFFFAOYSA-N 0 0 307.397 4.245 20 10 DICDRN Cc1cnc(NCc2cc3ccccc3cc2O)nc1NC(C)C ZINC001160205987 1047995757 /nfs/dbraw/zinc/99/57/57/1047995757.db2.gz JEHGAGHMIBXKDR-UHFFFAOYSA-N 0 0 322.412 4.076 20 10 DICDRN CSCc1ccc(NCc2cc3ccccc3cc2O)nc1 ZINC001160206211 1047996205 /nfs/dbraw/zinc/99/62/05/1047996205.db2.gz HVQGKAOYIHZGKL-UHFFFAOYSA-N 0 0 310.422 4.416 20 10 DICDRN Oc1cc2ccccc2cc1CNc1ncc2ccccc2n1 ZINC001160207704 1047996974 /nfs/dbraw/zinc/99/69/74/1047996974.db2.gz WTAVEZFRRHVREW-UHFFFAOYSA-N 0 0 301.349 4.101 20 10 DICDRN COc1nc(NCc2cc3ccccc3cc2O)ccc1Cl ZINC001160207054 1047997126 /nfs/dbraw/zinc/99/71/26/1047997126.db2.gz UPBZEVRPJSTTKM-UHFFFAOYSA-N 0 0 314.772 4.215 20 10 DICDRN Oc1cc2ccccc2cc1CNc1ccc(-c2ccco2)nn1 ZINC001160207352 1047997311 /nfs/dbraw/zinc/99/73/11/1047997311.db2.gz YODWGJQWOJRDTH-UHFFFAOYSA-N 0 0 317.348 4.208 20 10 DICDRN COC(=O)c1cccc(Nc2ccc3c(c2)CCCN3)c1Cl ZINC001160216534 1048001632 /nfs/dbraw/zinc/00/16/32/1048001632.db2.gz COGOQBYEQCULLE-UHFFFAOYSA-N 0 0 316.788 4.228 20 10 DICDRN Cc1cc(C(=O)N2CC[C@@H]2C(C)C)c(C)n1-c1ccccc1C ZINC001152493092 1048004149 /nfs/dbraw/zinc/00/41/49/1048004149.db2.gz UWHRISNJGGNBHD-GOSISDBHSA-N 0 0 310.441 4.273 20 10 DICDRN CC(C)(C)c1ccccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001174929348 1048013362 /nfs/dbraw/zinc/01/33/62/1048013362.db2.gz GJJXUUMHCGNJLH-PKNBQFBNSA-N 0 0 311.381 4.047 20 10 DICDRN CCOC(=O)/C=C/c1ccc(Cl)cc1Nc1ccc(N)cc1 ZINC001160288907 1048025017 /nfs/dbraw/zinc/02/50/17/1048025017.db2.gz KYGKVBYWSRFOBJ-ONNFQVAWSA-N 0 0 316.788 4.242 20 10 DICDRN CC1(C)CCNc2ccc(Nc3cc(F)cc(CO)c3)cc21 ZINC001160331535 1048033550 /nfs/dbraw/zinc/03/35/50/1048033550.db2.gz NEFYJYQZIFMLQC-UHFFFAOYSA-N 0 0 300.377 4.155 20 10 DICDRN CC1(C)CCNc2ccc(Nc3ccc4ncncc4c3)cc21 ZINC001160333143 1048035933 /nfs/dbraw/zinc/03/59/33/1048035933.db2.gz ZZKJTVIQIDWKNE-UHFFFAOYSA-N 0 0 304.397 4.467 20 10 DICDRN Nc1ccc(N(c2cc[nH]n2)c2ccc3ccccc3c2N)cc1 ZINC001160358642 1048039728 /nfs/dbraw/zinc/03/97/28/1048039728.db2.gz RTSZEFNOPBBOOS-UHFFFAOYSA-N 0 0 315.380 4.197 20 10 DICDRN Nc1ccc(Nc2cccc(C(=O)OCc3ccccc3)c2)cc1 ZINC001160396771 1048046136 /nfs/dbraw/zinc/04/61/36/1048046136.db2.gz FNIHPRMBUBGMHE-UHFFFAOYSA-N 0 0 318.376 4.369 20 10 DICDRN Oc1c(F)cc(Cl)cc1CNc1cccc2cccnc21 ZINC001199592224 1048077894 /nfs/dbraw/zinc/07/78/94/1048077894.db2.gz NFQNDAJKJOYQAX-UHFFFAOYSA-N 0 0 302.736 4.345 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C1(Cc2ccccc2)CC1 ZINC000775990270 1048079351 /nfs/dbraw/zinc/07/93/51/1048079351.db2.gz PSTNOTILQHIAAH-UHFFFAOYSA-N 0 0 305.780 4.050 20 10 DICDRN Cc1cc2c(nc(Cl)nc2NCc2cccc(C)c2O)s1 ZINC001160768845 1048080380 /nfs/dbraw/zinc/08/03/80/1048080380.db2.gz BQRUSNMFIBNQAK-UHFFFAOYSA-N 0 0 319.817 4.279 20 10 DICDRN Cc1cccc(CNc2cc(C3CCCCC3)nc(C)n2)c1O ZINC001160770499 1048081816 /nfs/dbraw/zinc/08/18/16/1048081816.db2.gz YCAWBBDNKXENAR-UHFFFAOYSA-N 0 0 311.429 4.459 20 10 DICDRN Cc1cccc(CNc2nnc(-c3ccccc3F)cc2C)c1O ZINC001160771277 1048082395 /nfs/dbraw/zinc/08/23/95/1048082395.db2.gz RJIUCFQUEHDQSJ-UHFFFAOYSA-N 0 0 323.371 4.217 20 10 DICDRN Cc1cc(C)c(CNc2nccc(-c3ccc(F)cc3)n2)c(O)c1 ZINC001160810043 1048085597 /nfs/dbraw/zinc/08/55/97/1048085597.db2.gz HZKZVWIVYWJBDR-UHFFFAOYSA-N 0 0 323.371 4.217 20 10 DICDRN COc1cc(NCc2c(C)cc(C)cc2O)nc2ccccc21 ZINC001160810545 1048086351 /nfs/dbraw/zinc/08/63/51/1048086351.db2.gz SCKMXCXHQQAKQK-UHFFFAOYSA-N 0 0 308.381 4.178 20 10 DICDRN C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000776012414 1048086745 /nfs/dbraw/zinc/08/67/45/1048086745.db2.gz GPRJIEABSWTADS-KOLCDFICSA-N 0 0 307.743 4.208 20 10 DICDRN Cc1cc(C)c(CNc2ccc(-c3cccc(F)c3)nn2)c(O)c1 ZINC001160811777 1048086791 /nfs/dbraw/zinc/08/67/91/1048086791.db2.gz XJURXXPJLDAZHF-UHFFFAOYSA-N 0 0 323.371 4.217 20 10 DICDRN CCc1nc2sccc2c(NCc2c(C)cc(C)cc2O)n1 ZINC001160811599 1048087683 /nfs/dbraw/zinc/08/76/83/1048087683.db2.gz RSTSFXUBTXJFER-UHFFFAOYSA-N 0 0 313.426 4.188 20 10 DICDRN C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])o1 ZINC000776024564 1048105430 /nfs/dbraw/zinc/10/54/30/1048105430.db2.gz RWPJPVDHQGMADY-ZANVPECISA-N 0 0 309.768 4.191 20 10 DICDRN COc1ccc(N(C)Cc2nc3ccccc3s2)cc1F ZINC000757852183 1048130620 /nfs/dbraw/zinc/13/06/20/1048130620.db2.gz YPKOCIZYFKIVGG-UHFFFAOYSA-N 0 0 302.374 4.080 20 10 DICDRN CCOC(=O)c1cnc(S[C@H]2CCCc3ccccc32)s1 ZINC001185676963 1048216362 /nfs/dbraw/zinc/21/63/62/1048216362.db2.gz OCUWMURMIYYLNF-ZDUSSCGKSA-N 0 0 319.451 4.490 20 10 DICDRN CCCN(Cc1ccccc1O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001185736468 1048219919 /nfs/dbraw/zinc/21/99/19/1048219919.db2.gz QZBZKHKROUEBGE-UHFFFAOYSA-N 0 0 320.776 4.370 20 10 DICDRN Nc1ccc(Nc2ccc(Cl)cc2C(=O)c2ccccc2)cn1 ZINC001201283819 1048226696 /nfs/dbraw/zinc/22/66/96/1048226696.db2.gz GSJVFJJJVIJIPV-UHFFFAOYSA-N 0 0 323.783 4.292 20 10 DICDRN CCN(CC)c1ccc(CNc2ncnc3cccc(C)c32)cc1 ZINC001162201194 1048240411 /nfs/dbraw/zinc/24/04/11/1048240411.db2.gz ZRLHYEDZIDYTQS-UHFFFAOYSA-N 0 0 320.440 4.397 20 10 DICDRN CC(C)Nc1ccc(Nc2ccc(OC3COC3)c(F)c2)cc1 ZINC001201497001 1048284257 /nfs/dbraw/zinc/28/42/57/1048284257.db2.gz CAHAWBKLOGVFQV-UHFFFAOYSA-N 0 0 316.376 4.167 20 10 DICDRN CCOC(=O)Cc1ccc(Nc2ccc(NC(C)C)cc2)cc1 ZINC001201497985 1048284692 /nfs/dbraw/zinc/28/46/92/1048284692.db2.gz PHZOFTXEXRKMJQ-UHFFFAOYSA-N 0 0 312.413 4.356 20 10 DICDRN CC(C)Nc1ccc(Nc2cc(C(N)=O)ccc2Cl)cc1 ZINC001201497807 1048284993 /nfs/dbraw/zinc/28/49/93/1048284993.db2.gz LZPPVLAAPXRGPE-UHFFFAOYSA-N 0 0 303.793 4.003 20 10 DICDRN COC(=O)c1c(F)ccc(F)c1Nc1ccc(NC(C)C)cc1 ZINC001201497649 1048285617 /nfs/dbraw/zinc/28/56/17/1048285617.db2.gz KIIGDPRQZJTSSE-UHFFFAOYSA-N 0 0 320.339 4.315 20 10 DICDRN COC(=O)c1ccc(Nc2ccc(NC(C)C)cc2)cc1F ZINC001201497391 1048285664 /nfs/dbraw/zinc/28/56/64/1048285664.db2.gz GQNDAKOAIZDMPA-UHFFFAOYSA-N 0 0 302.349 4.176 20 10 DICDRN CC(C)Nc1ccc(Nc2ccc(-n3ccccc3=O)cc2)cc1 ZINC001201499000 1048286783 /nfs/dbraw/zinc/28/67/83/1048286783.db2.gz KAXJTQWYMMHENN-UHFFFAOYSA-N 0 0 319.408 4.401 20 10 DICDRN COC(=O)c1c(C)ccc(Nc2ccc(NC(C)C)cc2)c1F ZINC001201505148 1048289274 /nfs/dbraw/zinc/28/92/74/1048289274.db2.gz KXCAIEZUKZJFGY-UHFFFAOYSA-N 0 0 316.376 4.485 20 10 DICDRN CC(C)Nc1ccc(Nc2cc(F)ccc2OC2COC2)cc1 ZINC001201504107 1048289460 /nfs/dbraw/zinc/28/94/60/1048289460.db2.gz BEMSHOFQEMKSIW-UHFFFAOYSA-N 0 0 316.376 4.167 20 10 DICDRN Cc1ccc(C(=O)NC2CC2)cc1Nc1ccc(NC(C)C)cc1 ZINC001201505331 1048290538 /nfs/dbraw/zinc/29/05/38/1048290538.db2.gz LPRQKVGTBDOXAK-UHFFFAOYSA-N 0 0 323.440 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312.442 4.183 20 10 DICDRN Nc1ccc(CNc2cc3nc(Cl)cnc3cc2Cl)cc1 ZINC001162786171 1048359825 /nfs/dbraw/zinc/35/98/25/1048359825.db2.gz RYVBFNNUZUJUOZ-UHFFFAOYSA-N 0 0 319.195 4.131 20 10 DICDRN Nc1ccc(Cc2ccc(Nc3ccc(CO)cc3)cc2)cc1 ZINC001175568431 1048373180 /nfs/dbraw/zinc/37/31/80/1048373180.db2.gz LMVYJGXYIWPKDP-UHFFFAOYSA-N 0 0 304.393 4.096 20 10 DICDRN CC1CC(CNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)C1 ZINC001187129710 1048377030 /nfs/dbraw/zinc/37/70/30/1048377030.db2.gz CTEPTVGYSSYFOI-UHFFFAOYSA-N 0 0 324.380 4.284 20 10 DICDRN CC[C@@H](C)Oc1cc(Sc2ncc(Cl)s2)nc(C)n1 ZINC001187174621 1048382541 /nfs/dbraw/zinc/38/25/41/1048382541.db2.gz OQCWJEYDYQTIOI-SSDOTTSWSA-N 0 0 315.851 4.223 20 10 DICDRN CSc1ccc(N(c2ccc(N)cc2)c2ccc(N)cc2)cn1 ZINC001175658142 1048408570 /nfs/dbraw/zinc/40/85/70/1048408570.db2.gz QHTXWTOQVRBPMG-UHFFFAOYSA-N 0 0 322.437 4.438 20 10 DICDRN COc1cc(N(c2ccccc2)c2ccc(N)cc2)c(F)cn1 ZINC001175691965 1048419814 /nfs/dbraw/zinc/41/98/14/1048419814.db2.gz JMBYRUWEMHIBIK-UHFFFAOYSA-N 0 0 309.344 4.281 20 10 DICDRN C[C@H](NC(=O)N(C)[C@H]1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000776244224 1048448192 /nfs/dbraw/zinc/44/81/92/1048448192.db2.gz HORRUMAZNRIQGH-VKJFTORMSA-N 0 0 317.477 4.034 20 10 DICDRN CC(C)[C@@H](C)N(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000776245908 1048464061 /nfs/dbraw/zinc/46/40/61/1048464061.db2.gz ILVPEENOWHSNMN-HUUCEWRRSA-N 0 0 317.477 4.032 20 10 DICDRN C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000776247528 1048464150 /nfs/dbraw/zinc/46/41/50/1048464150.db2.gz VJURKIAOJJYRDC-RLFYNMQTSA-N 0 0 317.477 4.034 20 10 DICDRN CO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776254912 1048467400 /nfs/dbraw/zinc/46/74/00/1048467400.db2.gz NVBBHZFLUQICOL-PIGZYNQJSA-N 0 0 323.795 4.051 20 10 DICDRN COc1ccc2[nH]cc(C3=CCN(c4ccc(F)cn4)CC3)c2c1 ZINC000555898448 1048470840 /nfs/dbraw/zinc/47/08/40/1048470840.db2.gz UJPBNTIDUXQMNZ-UHFFFAOYSA-N 0 0 323.371 4.004 20 10 DICDRN CCN(Cc1ccccc1O)C(=O)Nc1ccc(SC)cc1 ZINC001188099869 1048474975 /nfs/dbraw/zinc/47/49/75/1048474975.db2.gz JWSFUPGTHDVLLO-UHFFFAOYSA-N 0 0 316.426 4.168 20 10 DICDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2Nc1cnc2cc[nH]c2n1 ZINC001163485891 1048475993 /nfs/dbraw/zinc/47/59/93/1048475993.db2.gz ACIIEXHFCCLCSE-QGZVFWFLSA-N 0 0 322.412 4.016 20 10 DICDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2Nc1ncc(C2CC2)cn1 ZINC001163486080 1048476122 /nfs/dbraw/zinc/47/61/22/1048476122.db2.gz DGHBZBUVTSNEGE-GOSISDBHSA-N 0 0 323.440 4.412 20 10 DICDRN Nc1ccc(CCc2ccc(Nc3ccc(F)cn3)cc2)cc1 ZINC001175850169 1048477874 /nfs/dbraw/zinc/47/78/74/1048477874.db2.gz DDJVTAWEGVUMHT-UHFFFAOYSA-N 0 0 307.372 4.332 20 10 DICDRN CSc1ccc(NC(=O)NCc2c(C)cc(C)cc2O)cc1 ZINC001188128148 1048479676 /nfs/dbraw/zinc/47/96/76/1048479676.db2.gz LQNMEJZQFGAROG-UHFFFAOYSA-N 0 0 316.426 4.053 20 10 DICDRN Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1ccnc(C(C)C)n1 ZINC001163524711 1048483766 /nfs/dbraw/zinc/48/37/66/1048483766.db2.gz XEDBSUPMSTVAKV-OAHLLOKOSA-N 0 0 312.461 4.018 20 10 DICDRN Nc1ccc(N(Cc2ccccc2)c2cnn(C3CC3)c2)cc1 ZINC001175963035 1048507848 /nfs/dbraw/zinc/50/78/48/1048507848.db2.gz ZPSNPXQWYOSEFN-UHFFFAOYSA-N 0 0 304.397 4.139 20 10 DICDRN CCN(Cc1ccccc1O)C(=O)Nc1cccc(Cl)c1F ZINC001188401741 1048511477 /nfs/dbraw/zinc/51/14/77/1048511477.db2.gz JCFMBBDNZQWLFZ-UHFFFAOYSA-N 0 0 322.767 4.239 20 10 DICDRN Cc1c2ccccc2n(C)c1CNc1ccc(F)c([C@H](C)O)c1 ZINC001202350078 1048520412 /nfs/dbraw/zinc/52/04/12/1048520412.db2.gz PMLKTROUBWMTFN-ZDUSSCGKSA-N 0 0 312.388 4.291 20 10 DICDRN COc1cc(C)c(NCc2cc(Cl)cc(OC)c2O)cc1C ZINC000775183165 1048536378 /nfs/dbraw/zinc/53/63/78/1048536378.db2.gz IKYHTIVMKRDANM-UHFFFAOYSA-N 0 0 321.804 4.292 20 10 DICDRN CCc1cc(NCc2cc(C)n(-c3ccccc3)c2C)nc(C)n1 ZINC001163892338 1048546381 /nfs/dbraw/zinc/54/63/81/1048546381.db2.gz WRDPCKBBPLIPAL-UHFFFAOYSA-N 0 0 320.440 4.367 20 10 DICDRN CCN(Cc1ccccc1O)C(=O)Nc1cc(Cl)ccc1C ZINC001188723373 1048549802 /nfs/dbraw/zinc/54/98/02/1048549802.db2.gz INCJNIIPKJJJPA-UHFFFAOYSA-N 0 0 318.804 4.408 20 10 DICDRN Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1cccc(F)c1F ZINC000776309313 1048563590 /nfs/dbraw/zinc/56/35/90/1048563590.db2.gz BLISFCQEPTUSJJ-ZDUSSCGKSA-N 0 0 304.384 4.190 20 10 DICDRN Cc1ccccc1N1C(=O)/C(=C\c2ccccc2)SC1=S ZINC000006056122 1048571101 /nfs/dbraw/zinc/57/11/01/1048571101.db2.gz PYLOZZNEPYAUOS-RVDMUPIBSA-N 0 0 311.431 4.401 20 10 DICDRN O=C(Nc1cc(Cl)ccc1Cl)Nc1cccc(O)c1O ZINC001188997186 1048577643 /nfs/dbraw/zinc/57/76/43/1048577643.db2.gz PSWTVPLOJOTOQZ-UHFFFAOYSA-N 0 0 313.140 4.049 20 10 DICDRN Cc1cc(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)c(C)[nH]1 ZINC001188999198 1048580373 /nfs/dbraw/zinc/58/03/73/1048580373.db2.gz BTXCWKMRUGUIEF-UHFFFAOYSA-N 0 0 319.408 4.061 20 10 DICDRN Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)Cc2ccc(N)cc2)cc1 ZINC000159779688 1048593590 /nfs/dbraw/zinc/59/35/90/1048593590.db2.gz BWOAZQQURQFOIE-KKSFZXQISA-N 0 0 322.452 4.120 20 10 DICDRN Fc1cc(CSc2ncc(Cl)s2)c2c(c1)COCO2 ZINC000849999409 1048609878 /nfs/dbraw/zinc/60/98/78/1048609878.db2.gz QVMIPVSVLDMZOZ-UHFFFAOYSA-N 0 0 317.794 4.094 20 10 DICDRN CN(c1nc(CSc2ncc(Cl)s2)cs1)C1CC1 ZINC000849999929 1048610470 /nfs/dbraw/zinc/61/04/70/1048610470.db2.gz CTEJHAFDQAZQHJ-UHFFFAOYSA-N 0 0 317.892 4.144 20 10 DICDRN CCCCc1noc([C@@H](C)Sc2ncc(Cl)s2)n1 ZINC000849998469 1048610863 /nfs/dbraw/zinc/61/08/63/1048610863.db2.gz GFWXWNVIFBTMEA-SSDOTTSWSA-N 0 0 303.840 4.375 20 10 DICDRN O=C(NCc1ccccc1O)c1cccc(-c2ccsc2)c1 ZINC001189377818 1048619979 /nfs/dbraw/zinc/61/99/79/1048619979.db2.gz TXMIPUNYNLLGIM-UHFFFAOYSA-N 0 0 309.390 4.051 20 10 DICDRN O=C(Nc1cccc(O)c1O)Nc1ccccc1-c1ccccc1 ZINC001189721979 1048649279 /nfs/dbraw/zinc/64/92/79/1048649279.db2.gz SANUKCLDBHEGNH-UHFFFAOYSA-N 0 0 320.348 4.409 20 10 DICDRN COC1CC(CC[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])C1 ZINC000850483210 1048670820 /nfs/dbraw/zinc/67/08/20/1048670820.db2.gz VESPMUJYZHIWGP-WHXUTIOJSA-N 0 0 318.244 4.165 20 10 DICDRN C[C@H]([NH2+][C@H]1C=CCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000850506404 1048672475 /nfs/dbraw/zinc/67/24/75/1048672475.db2.gz AMZAQDGXRNXZNY-WPRPVWTQSA-N 0 0 316.626 4.177 20 10 DICDRN Nc1ccc(Cc2ccc(Nc3ccc(O)cc3F)cc2)cc1 ZINC001176411969 1048678049 /nfs/dbraw/zinc/67/80/49/1048678049.db2.gz CBEPLQIKOYPMNH-UHFFFAOYSA-N 0 0 308.356 4.448 20 10 DICDRN C[C@H]([NH2+]CCc1ccoc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000850532629 1048685509 /nfs/dbraw/zinc/68/55/09/1048685509.db2.gz WLELXPINICZQNZ-VIFPVBQESA-N 0 0 300.185 4.185 20 10 DICDRN Oc1ccc(Br)cc1CNc1cccc2cc[nH]c21 ZINC000775338342 1048685717 /nfs/dbraw/zinc/68/57/17/1048685717.db2.gz GCUOMLSBNNZIBI-UHFFFAOYSA-N 0 0 317.186 4.248 20 10 DICDRN C[C@@H]([NH2+]CC1SCCS1)c1ccc(Cl)c(Cl)c1[O-] ZINC000850561877 1048692910 /nfs/dbraw/zinc/69/29/10/1048692910.db2.gz VIQKOUNFFLMQEA-SSDOTTSWSA-N 0 0 324.298 4.156 20 10 DICDRN COc1cc(N[C@@H](C)c2ccccc2O)ccc1OC(F)F ZINC000850562636 1048693242 /nfs/dbraw/zinc/69/32/42/1048693242.db2.gz VMPDSPRGJKKIEL-JTQLQIEISA-N 0 0 309.312 4.175 20 10 DICDRN C[C@H]([NH2+]CC1SCCS1)c1cc(Cl)c(Cl)cc1[O-] ZINC000850562053 1048693300 /nfs/dbraw/zinc/69/33/00/1048693300.db2.gz SGTSXRRKVGOQTB-ZETCQYMHSA-N 0 0 324.298 4.156 20 10 DICDRN C[C@H](Nc1ccc(O[C@@H]2CC2(F)F)cc1)c1ccccc1O ZINC000850563948 1048694017 /nfs/dbraw/zinc/69/40/17/1048694017.db2.gz IMYRSUHQDPRQGG-MEDUHNTESA-N 0 0 305.324 4.352 20 10 DICDRN COc1cccc(C2([NH2+][C@@H](C)c3ccc(F)cc3[O-])CCC2)c1 ZINC000850567279 1048696688 /nfs/dbraw/zinc/69/66/88/1048696688.db2.gz ZQEJBFAOOCNDFH-ZDUSSCGKSA-N 0 0 315.388 4.270 20 10 DICDRN Cc1ccccc1-c1cccc(C(=O)NCc2ccccc2O)c1 ZINC001190302957 1048714375 /nfs/dbraw/zinc/71/43/75/1048714375.db2.gz CWERJZSIOIZIOG-UHFFFAOYSA-N 0 0 317.388 4.298 20 10 DICDRN C[N@H+](Cc1ccccc1O)Cc1ccc(Cl)c2cccnc12 ZINC000109772705 1048743368 /nfs/dbraw/zinc/74/33/68/1048743368.db2.gz KPKLOAVOJFXGAT-UHFFFAOYSA-N 0 0 312.800 4.226 20 10 DICDRN Cc1ccc(/C=C\CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775401983 1048768092 /nfs/dbraw/zinc/76/80/92/1048768092.db2.gz AEMCKQSGUONQHJ-OSJSJHBBSA-N 0 0 322.452 4.342 20 10 DICDRN Cc1cc(C)c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000775405039 1048778241 /nfs/dbraw/zinc/77/82/41/1048778241.db2.gz PXNSZGGUNSCTFU-MRXNPFEDSA-N 0 0 310.441 4.169 20 10 DICDRN Cc1ccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000775406418 1048780330 /nfs/dbraw/zinc/78/03/30/1048780330.db2.gz QOXCFMNGDVPFMX-OAHLLOKOSA-N 0 0 311.429 4.252 20 10 DICDRN Cc1cccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1C ZINC000775406399 1048780787 /nfs/dbraw/zinc/78/07/87/1048780787.db2.gz PRIDQQXRENGWKA-HNNXBMFYSA-N 0 0 311.429 4.252 20 10 DICDRN CC1CC(C(=O)Nc2ccc(N)cc2)(c2cccc(Cl)c2)C1 ZINC000851633239 1048792508 /nfs/dbraw/zinc/79/25/08/1048792508.db2.gz DCZGPCRSHPZSCL-UHFFFAOYSA-N 0 0 314.816 4.229 20 10 DICDRN COc1ccc(N(CCCF)Cc2ccccc2)cc1OC ZINC001177022079 1048816859 /nfs/dbraw/zinc/81/68/59/1048816859.db2.gz KOPQTMNHYHILAL-UHFFFAOYSA-N 0 0 303.377 4.070 20 10 DICDRN COc1cc(N(C)C[C@H](C)CC(C)(C)C)cc(OC)c1OC ZINC001191013218 1048819803 /nfs/dbraw/zinc/81/98/03/1048819803.db2.gz GQDCROVLRYSCDR-CYBMUJFWSA-N 0 0 309.450 4.221 20 10 DICDRN COc1cc(N(C)CC2CCC(C)(C)CC2)cc(OC)c1OC ZINC001191012904 1048820236 /nfs/dbraw/zinc/82/02/36/1048820236.db2.gz BZQAPWFAZWCBRC-UHFFFAOYSA-N 0 0 321.461 4.365 20 10 DICDRN Cc1ccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000775427698 1048828092 /nfs/dbraw/zinc/82/80/92/1048828092.db2.gz HWCNKZBVUNWUOE-CYBMUJFWSA-N 0 0 315.392 4.083 20 10 DICDRN CCC[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773622515 1048844930 /nfs/dbraw/zinc/84/49/30/1048844930.db2.gz FHFJMEFZUDAKHH-JKSUJKDBSA-N 0 0 317.477 4.035 20 10 DICDRN CCOc1ccc(NCc2cc(F)c(N(C)C)cc2F)c(C)c1 ZINC001177363169 1048879860 /nfs/dbraw/zinc/87/98/60/1048879860.db2.gz LYECHEBIHRSJPZ-UHFFFAOYSA-N 0 0 320.383 4.350 20 10 DICDRN COc1ccc([C@H](C)[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC001177542879 1048912585 /nfs/dbraw/zinc/91/25/85/1048912585.db2.gz VSFVDUMFHCXOQQ-JTQLQIEISA-N 0 0 309.768 4.044 20 10 DICDRN CN(Cc1ccc(N2CCCC2)cc1)Cc1c(F)cccc1F ZINC001204201988 1048930484 /nfs/dbraw/zinc/93/04/84/1048930484.db2.gz MSVNAZSPAOPXFH-UHFFFAOYSA-N 0 0 316.395 4.197 20 10 DICDRN COc1cccc(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)s2)c1O ZINC001203596044 1048937713 /nfs/dbraw/zinc/93/77/13/1048937713.db2.gz ZZFLRLFKHSRFNT-GFCCVEGCSA-N 0 0 323.845 4.453 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CC2(C1)CCCCC2 ZINC001203582114 1048938220 /nfs/dbraw/zinc/93/82/20/1048938220.db2.gz QWXSUWKMXAVULP-UHFFFAOYSA-N 0 0 300.229 4.465 20 10 DICDRN CC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1nc(C)cs1 ZINC001177764713 1048940308 /nfs/dbraw/zinc/94/03/08/1048940308.db2.gz INQKTOLRENGPCB-GFCCVEGCSA-N 0 0 314.813 4.191 20 10 DICDRN CC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1nc(C)cs1 ZINC001177764714 1048940708 /nfs/dbraw/zinc/94/07/08/1048940708.db2.gz INQKTOLRENGPCB-LBPRGKRZSA-N 0 0 314.813 4.191 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)[C@H](C)Cc1ccccc1 ZINC000112114976 1048961282 /nfs/dbraw/zinc/96/12/82/1048961282.db2.gz UQFYJJORKRPBKP-MRXNPFEDSA-N 0 0 311.425 4.010 20 10 DICDRN CCCOc1ccc(CNc2ccc3c(c2)ncn3C)cc1C ZINC001178037309 1048982127 /nfs/dbraw/zinc/98/21/27/1048982127.db2.gz BSFUGNYBRJUUDF-UHFFFAOYSA-N 0 0 309.413 4.283 20 10 DICDRN Cn1cnc2cc(NCc3ccc(N4CCCCC4)cc3)ccc21 ZINC001178037586 1048982185 /nfs/dbraw/zinc/98/21/85/1048982185.db2.gz QYHDTVGOKFQOND-UHFFFAOYSA-N 0 0 320.440 4.176 20 10 DICDRN CCN(Cc1ccccc1O)C(=O)Nc1ccc(Cl)c(C)c1 ZINC001191760398 1048986628 /nfs/dbraw/zinc/98/66/28/1048986628.db2.gz JNYAGHXVVQXEAP-UHFFFAOYSA-N 0 0 318.804 4.408 20 10 DICDRN CN(C)c1ccc(CNc2ccc(-c3ccon3)cc2)cc1F ZINC001203799234 1048999551 /nfs/dbraw/zinc/99/95/51/1048999551.db2.gz CGBOBRHEMNOJLG-UHFFFAOYSA-N 0 0 311.360 4.159 20 10 DICDRN CN(C(=O)C1=CC(=O)CS1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000854952778 1049001784 /nfs/dbraw/zinc/00/17/84/1049001784.db2.gz NQSIZZVROWUVIO-HZPDHXFCSA-N 0 0 315.438 4.252 20 10 DICDRN CCN(C(=O)/C=C/c1scnc1C)c1ccccc1Cl ZINC000776770551 1049004117 /nfs/dbraw/zinc/00/41/17/1049004117.db2.gz ALKGKDIUDWHPQM-CMDGGOBGSA-N 0 0 306.818 4.171 20 10 DICDRN CC[C@@H]([NH2+]Cc1cccc2c1OCO2)c1cc(Cl)ccc1O ZINC000775492263 1049012943 /nfs/dbraw/zinc/01/29/43/1049012943.db2.gz ORFOXQIMOVQOSI-CQSZACIVSA-N 0 0 319.788 4.015 20 10 DICDRN COc1ccc(N(C)C[C@@H](OC)c2ccc(Cl)cc2)cc1F ZINC001191891291 1049015136 /nfs/dbraw/zinc/01/51/36/1049015136.db2.gz IEFBFNLRLUDMHH-QGZVFWFLSA-N 0 0 323.795 4.312 20 10 DICDRN Oc1ccc(CN2CCC[C@H]2c2cccc(Cl)c2)cc1O ZINC001203878815 1049021045 /nfs/dbraw/zinc/02/10/45/1049021045.db2.gz CUFOWGCHGFQUOY-HNNXBMFYSA-N 0 0 303.789 4.088 20 10 DICDRN COc1cccc(O)c1CNc1cc(C)cc(Br)c1 ZINC000776812504 1049034606 /nfs/dbraw/zinc/03/46/06/1049034606.db2.gz WZKJCNPBBIQFEK-UHFFFAOYSA-N 0 0 322.202 4.084 20 10 DICDRN CCN(C)c1ccc([C@H](C)Nc2ccc(OC)c(F)c2)cc1 ZINC000776812136 1049035486 /nfs/dbraw/zinc/03/54/86/1049035486.db2.gz WCFRFECULFHGHD-ZDUSSCGKSA-N 0 0 302.393 4.464 20 10 DICDRN CCN(CC)c1ccc(CN2CC(F)(F)C[C@@]2(C)CF)cc1 ZINC001203940685 1049039120 /nfs/dbraw/zinc/03/91/20/1049039120.db2.gz VFHFBALFDCIHCB-INIZCTEOSA-N 0 0 314.395 4.102 20 10 DICDRN CC(C)(C)[C@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC001178500768 1049040717 /nfs/dbraw/zinc/04/07/17/1049040717.db2.gz CWNNQPSAZJKNBD-LSDHHAIUSA-N 0 0 320.433 4.385 20 10 DICDRN CC[C@H]([NH2+]CC[C@@H](C)OC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775500806 1049041712 /nfs/dbraw/zinc/04/17/12/1049041712.db2.gz LHGWHMQPQHHVQU-SKDRFNHKSA-N 0 0 306.233 4.165 20 10 DICDRN CSc1c(F)cc(NCc2cc(F)cc(F)c2O)cc1F ZINC001178469801 1049043209 /nfs/dbraw/zinc/04/32/09/1049043209.db2.gz WTBLPKKVWAIRON-UHFFFAOYSA-N 0 0 317.307 4.283 20 10 DICDRN CCC[C@@](C)(O)C[NH2+][C@@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775504112 1049044550 /nfs/dbraw/zinc/04/45/50/1049044550.db2.gz TWABYHXLZWBQEP-SWLSCSKDSA-N 0 0 320.260 4.291 20 10 DICDRN CC[C@@H]([NH2+]C[C@@](C)(O)C(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775503026 1049044932 /nfs/dbraw/zinc/04/49/32/1049044932.db2.gz AEDYXFGJZKHZMA-IUODEOHRSA-N 0 0 320.260 4.147 20 10 DICDRN Cc1ncsc1/C=C/C(=O)N(C)c1ccc(C)c(Cl)c1 ZINC000776838653 1049058043 /nfs/dbraw/zinc/05/80/43/1049058043.db2.gz GJTWUFUQVIUCKE-VOTSOKGWSA-N 0 0 306.818 4.090 20 10 DICDRN CC1(C)CCN(C(=O)Nc2ccc(N)cc2)C[C@H]1c1ccccc1 ZINC000904500741 1049076754 /nfs/dbraw/zinc/07/67/54/1049076754.db2.gz PMVAMQRWTJFVQQ-SFHVURJKSA-N 0 0 323.440 4.316 20 10 DICDRN CCc1cc(NCc2cc(F)c(N(C)C)cc2F)ccc1F ZINC001178694561 1049077839 /nfs/dbraw/zinc/07/78/39/1049077839.db2.gz OFJMZDOJLHISPJ-UHFFFAOYSA-N 0 0 308.347 4.344 20 10 DICDRN CC[C@H]([NH2+]CCC[C@H](C)CO)c1ccc(Cl)c(Cl)c1[O-] ZINC000775524261 1049081786 /nfs/dbraw/zinc/08/17/86/1049081786.db2.gz DUFJHVLKGUYLHM-GWCFXTLKSA-N 0 0 320.260 4.148 20 10 DICDRN CCCc1ccc(/C=C2/SC(=S)N(C3CC3)C2=O)s1 ZINC000856716972 1049100475 /nfs/dbraw/zinc/10/04/75/1049100475.db2.gz AHVVPWWJQOUBDZ-XYOKQWHBSA-N 0 0 309.481 4.064 20 10 DICDRN COc1ccc(N(C)CC[C@@H]2CCc3ccccc32)c(OC)c1 ZINC001192402137 1049100783 /nfs/dbraw/zinc/10/07/83/1049100783.db2.gz SZARQULTZNHCGJ-INIZCTEOSA-N 0 0 311.425 4.260 20 10 DICDRN CC(=O)c1cc(Cl)cc(C[N@H+](C)C[C@H]2CC=CCC2)c1[O-] ZINC001192471930 1049102558 /nfs/dbraw/zinc/10/25/58/1049102558.db2.gz SZWJNQRGBTXWIQ-ZDUSSCGKSA-N 0 0 307.821 4.036 20 10 DICDRN CCOc1ccc(NCc2ccc(N3CCCC3)cc2)c(F)c1 ZINC001178977433 1049111598 /nfs/dbraw/zinc/11/15/98/1049111598.db2.gz LEFNCTRNZAPZIH-UHFFFAOYSA-N 0 0 314.404 4.437 20 10 DICDRN Cc1cc2c(cn1)CN(Cc1ccc(N(C)C)c3ccccc13)C2 ZINC001204240036 1049119270 /nfs/dbraw/zinc/11/92/70/1049119270.db2.gz GQYZTFNRSPUSHN-UHFFFAOYSA-N 0 0 317.436 4.125 20 10 DICDRN CCN(CC)c1ccc(CNc2n[nH]c(C(C)C)c2C)cc1F ZINC001179024936 1049119622 /nfs/dbraw/zinc/11/96/22/1049119622.db2.gz SPROPLUCTOCYNL-UHFFFAOYSA-N 0 0 318.440 4.439 20 10 DICDRN C[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000857080911 1049126177 /nfs/dbraw/zinc/12/61/77/1049126177.db2.gz LNBMDUFQZDYFNM-SFYZADRCSA-N 0 0 310.171 4.395 20 10 DICDRN C[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])[C@@H](c2ccco2)C1 ZINC001204270101 1049125481 /nfs/dbraw/zinc/12/54/81/1049125481.db2.gz IWQFVCZVRIZATP-XHDPSFHLSA-N 0 0 307.340 4.237 20 10 DICDRN C[C@H](CC1CCCC1)C(=O)NCc1c(O)ccc2ccccc21 ZINC001179033276 1049125703 /nfs/dbraw/zinc/12/57/03/1049125703.db2.gz UYPIJDPZEMZTTC-CQSZACIVSA-N 0 0 311.425 4.378 20 10 DICDRN CN(C)c1ccc(CN(C)C(=O)CC2CCC(C)(C)CC2)cc1 ZINC000857433439 1049146467 /nfs/dbraw/zinc/14/64/67/1049146467.db2.gz BJYINEZZBUGMCS-UHFFFAOYSA-N 0 0 316.489 4.318 20 10 DICDRN Cc1cc(-c2nc([C@@H]3C[C@@H]3C)no2)c(C)n1-c1ccc(F)cc1 ZINC000904816056 1049152955 /nfs/dbraw/zinc/15/29/55/1049152955.db2.gz ILARPZIWCCEIKO-ZUZCIYMTSA-N 0 0 311.360 4.407 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)CC1CCCCCC1 ZINC000857467163 1049154127 /nfs/dbraw/zinc/15/41/27/1049154127.db2.gz UPVIJZMDVVOKGZ-UHFFFAOYSA-N 0 0 303.446 4.491 20 10 DICDRN C[C@@H]1CCC[C@H](CCN2CCOc3cc(N(C)C)ccc32)C1 ZINC001192937752 1049156803 /nfs/dbraw/zinc/15/68/03/1049156803.db2.gz BNKTXOUHTJOGRE-HZPDHXFCSA-N 0 0 302.462 4.168 20 10 DICDRN CN(C)c1ccc2c(c1)OCCN2Cc1ccc2ccccc2c1 ZINC001192939805 1049157505 /nfs/dbraw/zinc/15/75/05/1049157505.db2.gz SMMJWZBKQWOCQT-UHFFFAOYSA-N 0 0 318.420 4.305 20 10 DICDRN CC(C)(C)c1cccc(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC000857548846 1049173344 /nfs/dbraw/zinc/17/33/44/1049173344.db2.gz XEHIVDWHXWMLDX-UHFFFAOYSA-N 0 0 317.816 4.273 20 10 DICDRN COc1ccc(O)c([C@@H](C)Nc2ccc(Cl)cc2OC)c1 ZINC000775580662 1049187820 /nfs/dbraw/zinc/18/78/20/1049187820.db2.gz WFXMBQQOMQUXCV-SNVBAGLBSA-N 0 0 307.777 4.236 20 10 DICDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(F)c2ccccc12 ZINC001179687111 1049192587 /nfs/dbraw/zinc/19/25/87/1049192587.db2.gz AQRKNKCRUHUBNB-UXBLZVDNSA-N 0 0 323.323 4.042 20 10 DICDRN CCN(CC)c1ccc(CNc2ccc3c(c2)C[C@@H](C)O3)cc1 ZINC001179696313 1049194074 /nfs/dbraw/zinc/19/40/74/1049194074.db2.gz USPOCQQWSURNAK-OAHLLOKOSA-N 0 0 310.441 4.468 20 10 DICDRN CC[C@H](C)c1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC001179683756 1049197266 /nfs/dbraw/zinc/19/72/66/1049197266.db2.gz VZRGXDFRTQLPCY-KKNAONHISA-N 0 0 311.381 4.263 20 10 DICDRN CC[C@@H](C)n1nc(NCc2cc(F)c(N(C)C)cc2F)cc1C ZINC000858155600 1049220912 /nfs/dbraw/zinc/22/09/12/1049220912.db2.gz KXJJDEOUUQNUDN-LLVKDONJSA-N 0 0 322.403 4.119 20 10 DICDRN Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC001204681928 1049221618 /nfs/dbraw/zinc/22/16/18/1049221618.db2.gz NHVUFGRWQLLMBI-KBPBESRZSA-N 0 0 317.379 4.357 20 10 DICDRN C[C@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2F)[C@@H]1c1ccccc1 ZINC001204679876 1049221875 /nfs/dbraw/zinc/22/18/75/1049221875.db2.gz BHTBGBMMVCIWHH-GTNSWQLSSA-N 0 0 305.780 4.378 20 10 DICDRN CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001179883298 1049227535 /nfs/dbraw/zinc/22/75/35/1049227535.db2.gz YYKXSTIWAQDDQR-INIZCTEOSA-N 0 0 319.395 4.432 20 10 DICDRN CC[C@H](Cc1ccc(C)cc1)[N@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001179883299 1049228944 /nfs/dbraw/zinc/22/89/44/1049228944.db2.gz YYKXSTIWAQDDQR-MRXNPFEDSA-N 0 0 319.395 4.432 20 10 DICDRN C[C@H](c1cc(F)ccc1F)[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC001204728765 1049242391 /nfs/dbraw/zinc/24/23/91/1049242391.db2.gz FUZXENWIWIVJGP-SECBINFHSA-N 0 0 313.294 4.142 20 10 DICDRN CCN(CC)c1ccc(CN[C@@H]2CCCc3scnc32)cc1 ZINC000858352933 1049246384 /nfs/dbraw/zinc/24/63/84/1049246384.db2.gz CNVOVQXRNBISRW-MRXNPFEDSA-N 0 0 315.486 4.157 20 10 DICDRN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@H](C)CC2)c1 ZINC001180029876 1049261791 /nfs/dbraw/zinc/26/17/91/1049261791.db2.gz GTCAPGZNLOYPEF-NSHDSACASA-N 0 0 312.251 4.085 20 10 DICDRN CC[C@@H]([NH2+]CC(C)(C)c1ccc(C)cn1)c1ccc(F)cc1[O-] ZINC000858488404 1049264603 /nfs/dbraw/zinc/26/46/03/1049264603.db2.gz SSLNYJLVIAVNIX-MRXNPFEDSA-N 0 0 316.420 4.253 20 10 DICDRN Cc1cc(C[NH2+][C@@H](C)c2nccnc2C)c(C)n1-c1ccccc1 ZINC000858541909 1049272032 /nfs/dbraw/zinc/27/20/32/1049272032.db2.gz FZTKGRQSLDIMEJ-INIZCTEOSA-N 0 0 320.440 4.043 20 10 DICDRN CC[C@@H](Nc1ccc(COCCOC)cc1)c1ccccc1O ZINC000858550477 1049272409 /nfs/dbraw/zinc/27/24/09/1049272409.db2.gz ODINPJIIRAQZPS-GOSISDBHSA-N 0 0 315.413 4.118 20 10 DICDRN Cc1cc(C[NH2+][C@H](C)c2nccnc2C)c(C)n1-c1ccccc1 ZINC000858541911 1049272922 /nfs/dbraw/zinc/27/29/22/1049272922.db2.gz FZTKGRQSLDIMEJ-MRXNPFEDSA-N 0 0 320.440 4.043 20 10 DICDRN Cc1cc(C[NH2+][C@H](C)c2cncs2)c(C)n1-c1ccccc1 ZINC000858542530 1049273080 /nfs/dbraw/zinc/27/30/80/1049273080.db2.gz LQDPVXDEBXOGAQ-CQSZACIVSA-N 0 0 311.454 4.401 20 10 DICDRN COCc1ccc(N[C@H](C)c2ccc(C)cc2O)cc1OC ZINC000858568887 1049275645 /nfs/dbraw/zinc/27/56/45/1049275645.db2.gz ZVFYDQZAYOHEMS-CYBMUJFWSA-N 0 0 301.386 4.029 20 10 DICDRN CC[C@@H](Nc1ccc(COC)c(OC)c1)c1ccccc1O ZINC000858568867 1049275670 /nfs/dbraw/zinc/27/56/70/1049275670.db2.gz ZDDBXHRHYXLGPM-MRXNPFEDSA-N 0 0 301.386 4.110 20 10 DICDRN C[C@@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)c1ccns1 ZINC000858575554 1049278980 /nfs/dbraw/zinc/27/89/80/1049278980.db2.gz ALFGBKIQQQIQQV-VXGBXAGGSA-N 0 0 302.443 4.139 20 10 DICDRN CC[C@H]([NH2+]C[C@H]1C[C@@H](OC)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000858593131 1049283552 /nfs/dbraw/zinc/28/35/52/1049283552.db2.gz 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/nfs/dbraw/zinc/31/65/06/1049316506.db2.gz MBGBSHKEUDLQRQ-UHFFFAOYSA-N 0 0 305.462 4.363 20 10 DICDRN Nc1ccc(Cc2ccccc2Nc2ccn3ccnc3c2)cc1 ZINC001204991362 1049332738 /nfs/dbraw/zinc/33/27/38/1049332738.db2.gz PIRQTBZXBULQPP-UHFFFAOYSA-N 0 0 314.392 4.251 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCCOc2c(F)cccc21 ZINC001180343880 1049340097 /nfs/dbraw/zinc/34/00/97/1049340097.db2.gz BNGDOBOSJVOXMP-OAHLLOKOSA-N 0 0 321.779 4.188 20 10 DICDRN CCC[C@H](C(=O)NCc1ccc(N)cc1)c1cccc(Cl)c1 ZINC000859594220 1049341736 /nfs/dbraw/zinc/34/17/36/1049341736.db2.gz TYYKYNCBAQXDAC-KRWDZBQOSA-N 0 0 316.832 4.122 20 10 DICDRN CCC[C@H](C(=O)NCc1cccc(Cl)c1O)c1ccccc1 ZINC001180400691 1049353422 /nfs/dbraw/zinc/35/34/22/1049353422.db2.gz NPRVIBKDYNLIJG-HNNXBMFYSA-N 0 0 317.816 4.246 20 10 DICDRN CC(C)=CCC[C@H](C)CC(=O)NCc1cccc(Cl)c1O ZINC001180420809 1049361240 /nfs/dbraw/zinc/36/12/40/1049361240.db2.gz PGZIWXSEAFUXIT-ZDUSSCGKSA-N 0 0 309.837 4.434 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CC=CC[C@H]1C ZINC001180463580 1049369794 /nfs/dbraw/zinc/36/97/94/1049369794.db2.gz LDKNCIIHIMNQHA-IUODEOHRSA-N 0 0 314.454 4.240 20 10 DICDRN CC[N@H+](Cc1ccc(Cl)s1)Cc1cc(F)c(F)cc1[O-] ZINC001205088538 1049370982 /nfs/dbraw/zinc/37/09/82/1049370982.db2.gz KLFLFJSNBCSXBR-UHFFFAOYSA-N 0 0 317.788 4.407 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC001180521024 1049371858 /nfs/dbraw/zinc/37/18/58/1049371858.db2.gz IFRUPSSLOTVTLG-MRXNPFEDSA-N 0 0 319.807 4.392 20 10 DICDRN CN(C)c1ccc2c(c1)OCCN2Cc1cccc(C2CC2)c1 ZINC001180647111 1049393671 /nfs/dbraw/zinc/39/36/71/1049393671.db2.gz WLGFBDQYAHDFEU-UHFFFAOYSA-N 0 0 308.425 4.029 20 10 DICDRN COc1cc(N(C)C[C@@H]2CCCC(C)(C)C2)cc(OC)c1OC ZINC001180760024 1049402863 /nfs/dbraw/zinc/40/28/63/1049402863.db2.gz WJEBMKBIFIKRQT-CQSZACIVSA-N 0 0 321.461 4.365 20 10 DICDRN COc1ccc(N(C)Cc2cc(C)c(O)c(C)c2)cc1Cl ZINC001180760052 1049403117 /nfs/dbraw/zinc/40/31/17/1049403117.db2.gz WZUHLHVJEKNMNC-UHFFFAOYSA-N 0 0 305.805 4.307 20 10 DICDRN 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4.185 20 10 DICDRN Clc1ccc(NCc2ccc(N3CCCCC3)cc2)cn1 ZINC000149516271 1049444554 /nfs/dbraw/zinc/44/45/54/1049444554.db2.gz RVIXPCNNJZPCMD-UHFFFAOYSA-N 0 0 301.821 4.337 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1coc(C(F)F)c1 ZINC000861561841 1049453440 /nfs/dbraw/zinc/45/34/40/1049453440.db2.gz NLHZULUUBKACGP-UHFFFAOYSA-N 0 0 323.339 4.365 20 10 DICDRN CCN(C)c1ccc([C@@H](C)Nc2ccc(SC)cn2)cc1 ZINC000777205663 1049458534 /nfs/dbraw/zinc/45/85/34/1049458534.db2.gz QTYTVMGNMSURNC-CYBMUJFWSA-N 0 0 301.459 4.433 20 10 DICDRN CO[C@H](CC(C)C)CN(C)c1ccc(-c2nccs2)cc1 ZINC001194993940 1049459444 /nfs/dbraw/zinc/45/94/44/1049459444.db2.gz QQWTWVLYKNWKQT-MRXNPFEDSA-N 0 0 304.459 4.307 20 10 DICDRN CC(C)Oc1ccc(N(C)C[C@@H]2C[C@]2(C)Br)cc1 ZINC001205406041 1049462438 /nfs/dbraw/zinc/46/24/38/1049462438.db2.gz PPIVAEWYDHJWCB-WFASDCNBSA-N 0 0 312.251 4.084 20 10 DICDRN Cc1ccccc1/N=N/c1ccc(NC(=O)C[C@@H](C)O)c(C)c1 ZINC001181353516 1049466228 /nfs/dbraw/zinc/46/62/28/1049466228.db2.gz PEXRLPWJMYVBPL-YYZBOFOMSA-N 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CC[C@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@@H]1CC1(C)C ZINC001195269845 1049505618 /nfs/dbraw/zinc/50/56/18/1049505618.db2.gz PYQFDRGJTNYKSK-GJZGRUSLSA-N 0 0 309.837 4.163 20 10 DICDRN Cc1cc(N(C)C)ccc1CN1C[C@H](C)CN(C)c2ccccc21 ZINC001181728385 1049506978 /nfs/dbraw/zinc/50/69/78/1049506978.db2.gz CSERDDBZKNMMLV-MRXNPFEDSA-N 0 0 323.484 4.154 20 10 DICDRN O=C(N[C@H]1C[C@@H]1C1CC1)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195278561 1049507490 /nfs/dbraw/zinc/50/74/90/1049507490.db2.gz LDSIVLWHNUIOOO-JKJUUDSJSA-N 0 0 321.380 4.336 20 10 DICDRN O=C(NCc1ccc[nH]1)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195280270 1049507789 /nfs/dbraw/zinc/50/77/89/1049507789.db2.gz YPYOEJZDVLXMIW-QURGRASLSA-N 0 0 320.352 4.066 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000775648531 1049509951 /nfs/dbraw/zinc/50/99/51/1049509951.db2.gz WBOGTFINFXZORP-UHFFFAOYSA-N 0 0 317.816 4.131 20 10 DICDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1cnc(C)s1 ZINC001195325400 1049510913 /nfs/dbraw/zinc/51/09/13/1049510913.db2.gz ZHEZJAJMJMRVRY-OAHLLOKOSA-N 0 0 316.470 4.295 20 10 DICDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1cncc(C)c1 ZINC001195325227 1049511206 /nfs/dbraw/zinc/51/12/06/1049511206.db2.gz WMXQNOJKQIJLKW-GOSISDBHSA-N 0 0 310.441 4.234 20 10 DICDRN CCC[N@@H+](Cc1cccc(Cl)c1[O-])Cc1ccccc1O ZINC000775667213 1049553433 /nfs/dbraw/zinc/55/34/33/1049553433.db2.gz FUTCLBSEXXUBFI-UHFFFAOYSA-N 0 0 305.805 4.163 20 10 DICDRN Oc1cc(F)c(F)cc1CN1CC[C@@H]1c1ccc(Cl)cc1 ZINC001205757496 1049555162 /nfs/dbraw/zinc/55/51/62/1049555162.db2.gz CIDBQSJHKBMNQK-OAHLLOKOSA-N 0 0 309.743 4.271 20 10 DICDRN COc1ccc([C@@H]2CC[N@H+](Cc3cccc(Cl)c3[O-])C2)cc1 ZINC000775669464 1049558433 /nfs/dbraw/zinc/55/84/33/1049558433.db2.gz JXBXPKFCTUXQMC-CQSZACIVSA-N 0 0 317.816 4.044 20 10 DICDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001181972197 1049558876 /nfs/dbraw/zinc/55/88/76/1049558876.db2.gz PVXUGWMNAHURIO-LLVKDONJSA-N 0 0 323.770 4.313 20 10 DICDRN [O-]c1c(F)cccc1C[NH2+]C1(Cc2ccc(Cl)cc2)CCC1 ZINC001182088929 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RIPGFVYORSOMMQ-UHFFFAOYSA-N 0 0 319.408 4.358 20 10 DICDRN C[C@@H](C(=O)N[C@@H](C)c1ccccc1O)c1ccc(Cl)cc1 ZINC001171729375 1051202091 /nfs/dbraw/zinc/20/20/91/1051202091.db2.gz BENLRGPWOIRGLU-NEPJUHHUSA-N 0 0 303.789 4.027 20 10 DICDRN COc1ccc(N(C)C[C@H](OC)c2ccc(Cl)cc2)cc1 ZINC001171745972 1051206012 /nfs/dbraw/zinc/20/60/12/1051206012.db2.gz KYVPTNIAGXJQNG-KRWDZBQOSA-N 0 0 305.805 4.173 20 10 DICDRN CN(C)c1ccc(CN(C)C(=O)[C@@H](F)CC2CCCCC2)cc1 ZINC000792878374 1051222566 /nfs/dbraw/zinc/22/25/66/1051222566.db2.gz QUIPWFHVYIQDIE-SFHVURJKSA-N 0 0 320.452 4.020 20 10 DICDRN Cn1nccc1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000766324319 1051226186 /nfs/dbraw/zinc/22/61/86/1051226186.db2.gz MNRNZGPGIOYEFW-UHFFFAOYSA-N 0 0 319.368 4.017 20 10 DICDRN Cc1cccc(NCc2ccc(N(C)C)cc2C(F)(F)F)n1 ZINC000792922074 1051228656 /nfs/dbraw/zinc/22/86/56/1051228656.db2.gz MYRURXQROYBHCT-UHFFFAOYSA-N 0 0 309.335 4.087 20 10 DICDRN Cc1ccc(NCc2ccc(N(C)C)cc2C(F)(F)F)cn1 ZINC000793019604 1051238976 /nfs/dbraw/zinc/23/89/76/1051238976.db2.gz SEECPZRCWXRVCX-UHFFFAOYSA-N 0 0 309.335 4.087 20 10 DICDRN CC[C@H]1CCCC[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000793039622 1051240654 /nfs/dbraw/zinc/24/06/54/1051240654.db2.gz DIZCDFKNKZKYFI-PKOBYXMFSA-N 0 0 314.473 4.119 20 10 DICDRN CC(C)n1nccc1CN1CCCc2cc(OC(F)F)ccc21 ZINC000793074512 1051243647 /nfs/dbraw/zinc/24/36/47/1051243647.db2.gz HYKJXDKXYGISSF-UHFFFAOYSA-N 0 0 321.371 4.018 20 10 DICDRN CC(C)(NCc1ccc(OCc2ccccc2)cc1O)C(F)F ZINC000793256635 1051273029 /nfs/dbraw/zinc/27/30/29/1051273029.db2.gz YJRQMKQIHGEBGZ-UHFFFAOYSA-N 0 0 321.367 4.105 20 10 DICDRN Cc1ccncc1C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000793338878 1051285173 /nfs/dbraw/zinc/28/51/73/1051285173.db2.gz HPISHKAYCHLODE-UHFFFAOYSA-N 0 0 311.212 4.034 20 10 DICDRN CN(Cc1ccccc1O)C(=O)N[C@@H](CC1CC1)c1ccccc1 ZINC000745873449 1051289229 /nfs/dbraw/zinc/28/92/29/1051289229.db2.gz IIVBKFHMVKEZFZ-SFHVURJKSA-N 0 0 324.424 4.075 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCCc1ccccc1F ZINC000793348367 1051289683 /nfs/dbraw/zinc/28/96/83/1051289683.db2.gz XSSOTAQQIZLHQP-UHFFFAOYSA-N 0 0 311.759 4.046 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000793621594 1051328722 /nfs/dbraw/zinc/32/87/22/1051328722.db2.gz ZUFCNCWCTHYRMM-UHFFFAOYSA-N 0 0 307.743 4.210 20 10 DICDRN CCCc1nc(C)c(CN(C)c2ccc(OC)c(Cl)c2)o1 ZINC000794397213 1051373427 /nfs/dbraw/zinc/37/34/27/1051373427.db2.gz BEIISIKXVMCLJM-UHFFFAOYSA-N 0 0 308.809 4.234 20 10 DICDRN Oc1cccc(Cl)c1C[NH2+]C[C@H]1SCCc2ccccc21 ZINC000749300138 1051408058 /nfs/dbraw/zinc/40/80/58/1051408058.db2.gz WVIKTIJYAIJASE-QGZVFWFLSA-N 0 0 319.857 4.166 20 10 DICDRN Cc1cc(CCNC(=O)c2ccsc2)c(C)n1-c1ccccc1 ZINC000746424329 1051409346 /nfs/dbraw/zinc/40/93/46/1051409346.db2.gz LKRHOHNFHBFJRS-UHFFFAOYSA-N 0 0 324.449 4.128 20 10 DICDRN Cc1cc(CCNC(=O)C[C@@H]2C=CCC2)c(C)n1-c1ccccc1 ZINC000746424778 1051409999 /nfs/dbraw/zinc/40/99/99/1051409999.db2.gz OGQAERNQHROTNJ-GOSISDBHSA-N 0 0 322.452 4.109 20 10 DICDRN Nc1ccc(OCc2cc(-c3ccc(Cl)cc3)no2)cc1 ZINC000746477776 1051434533 /nfs/dbraw/zinc/43/45/33/1051434533.db2.gz WKHPYJMTWSKNIQ-UHFFFAOYSA-N 0 0 300.745 4.156 20 10 DICDRN Cc1ccc(Cl)c(-c2noc(-c3nnsc3C3CC3)n2)c1 ZINC001212679416 1051492327 /nfs/dbraw/zinc/49/23/27/1051492327.db2.gz BEIGGZFQRDMBLB-UHFFFAOYSA-N 0 0 318.789 4.094 20 10 DICDRN CC(C)c1snnc1-c1nc(-c2cc(F)cc(Cl)c2)no1 ZINC001212687508 1051534379 /nfs/dbraw/zinc/53/43/79/1051534379.db2.gz XGCFDKUQHSHEBU-UHFFFAOYSA-N 0 0 324.768 4.171 20 10 DICDRN CC(C)c1cccc2c1N(C(=O)/C=C/c1cccnc1)CCC2 ZINC001129919760 1051567448 /nfs/dbraw/zinc/56/74/48/1051567448.db2.gz SGAYJCMWRYIMEK-ZHACJKMWSA-N 0 0 306.409 4.198 20 10 DICDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C[C@@H](C)CC(C)C ZINC001129974431 1051582021 /nfs/dbraw/zinc/58/20/21/1051582021.db2.gz PGUGQBPGJHQOFD-DOTOQJQBSA-N 0 0 318.505 4.181 20 10 DICDRN CN(Cc1ccncc1F)c1ccc(OCc2ccccc2)cc1 ZINC001169340795 1051585369 /nfs/dbraw/zinc/58/53/69/1051585369.db2.gz ASYJPBKJWBCLJW-UHFFFAOYSA-N 0 0 322.383 4.436 20 10 DICDRN CNc1cc(F)cc(Nc2ccccc2C(=O)c2ccncc2)c1 ZINC001216190361 1051622600 /nfs/dbraw/zinc/62/26/00/1051622600.db2.gz XCQFQJREQBAUSK-UHFFFAOYSA-N 0 0 321.355 4.237 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403620026 1051635115 /nfs/dbraw/zinc/63/51/15/1051635115.db2.gz QQXPOSZOPQUBOD-YOGCLGLASA-N 0 0 318.269 4.215 20 10 DICDRN Nc1ccc(Cc2ccccc2Nc2ccc(CO)cc2F)cc1 ZINC001216276541 1051670362 /nfs/dbraw/zinc/67/03/62/1051670362.db2.gz JVSBWKOEPWRILC-UHFFFAOYSA-N 0 0 322.383 4.235 20 10 DICDRN COc1ccc(N(CCOC2CCC2)Cc2ccco2)cc1F ZINC000805745770 1051678516 /nfs/dbraw/zinc/67/85/16/1051678516.db2.gz HISKZZGRJIBICG-UHFFFAOYSA-N 0 0 319.376 4.003 20 10 DICDRN CC[C@@H]([NH2+]C[C@H](OC)c1ccccc1)c1cccc(Cl)c1[O-] ZINC000806133622 1051734366 /nfs/dbraw/zinc/73/43/66/1051734366.db2.gz OWRYAQWTRYHRDP-SJORKVTESA-N 0 0 319.832 4.474 20 10 DICDRN CC[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1cccc(Cl)c1[O-] ZINC000806137261 1051736853 /nfs/dbraw/zinc/73/68/53/1051736853.db2.gz MINFUZFUQJSLRJ-CVEARBPZSA-N 0 0 311.853 4.028 20 10 DICDRN CC[C@@H]([NH2+]CC[C@H](C)OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806136587 1051736936 /nfs/dbraw/zinc/73/69/36/1051736936.db2.gz FKNHZKUJHVOSCK-TVQRCGJNSA-N 0 0 306.233 4.165 20 10 DICDRN CC[C@H]([NH2+]CCc1ccccc1O)c1cccc(Cl)c1[O-] ZINC000806136361 1051737081 /nfs/dbraw/zinc/73/70/81/1051737081.db2.gz BDZDZRYIUJRZNF-HNNXBMFYSA-N 0 0 305.805 4.035 20 10 DICDRN CC[C@H]([NH2+]CCN(C)C(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806136528 1051738405 /nfs/dbraw/zinc/73/84/05/1051738405.db2.gz DWICDOHGMAGSKQ-AWEZNQCLSA-N 0 0 319.276 4.080 20 10 DICDRN CC[C@@H](C)[C@@H](O)C[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806138887 1051740283 /nfs/dbraw/zinc/74/02/83/1051740283.db2.gz DKZAHDUUGRJAME-IIMNLJJBSA-N 0 0 320.260 4.147 20 10 DICDRN CC[C@H]([NH2+]C[C@H](CC(C)C)N(C)C)c1cccc(Cl)c1[O-] ZINC000806129859 1051744676 /nfs/dbraw/zinc/74/46/76/1051744676.db2.gz LGJOGBVFIBYXNK-BBRMVZONSA-N 0 0 312.885 4.063 20 10 DICDRN CC[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1cccc(Cl)c1[O-] ZINC000806130301 1051744983 /nfs/dbraw/zinc/74/49/83/1051744983.db2.gz VDODVMDWSKOIBX-BBRMVZONSA-N 0 0 317.816 4.090 20 10 DICDRN CC[C@H]([NH2+]CC1(O)CCCCCC1)c1cccc(Cl)c1[O-] ZINC000806140268 1051747496 /nfs/dbraw/zinc/74/74/96/1051747496.db2.gz IIHAPLQMQRPGKR-HNNXBMFYSA-N 0 0 311.853 4.172 20 10 DICDRN CC[C@H]([NH2+]CC(C)(C)CCO)c1cc(Cl)cc(Cl)c1[O-] ZINC000806140771 1051748857 /nfs/dbraw/zinc/74/88/57/1051748857.db2.gz BPDTXTILADFIMP-ZDUSSCGKSA-N 0 0 320.260 4.148 20 10 DICDRN CC[C@H](COC)[NH2+][C@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806141719 1051749636 /nfs/dbraw/zinc/74/96/36/1051749636.db2.gz UZLGOYBLFYSTBM-ZWNOBZJWSA-N 0 0 306.233 4.165 20 10 DICDRN CC[C@H]([NH2+]C[C@H](C)c1ccncc1)c1cccc(Cl)c1[O-] ZINC000806142808 1051750838 /nfs/dbraw/zinc/75/08/38/1051750838.db2.gz RBPUFPBYEOSACZ-LRDDRELGSA-N 0 0 304.821 4.285 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)CSC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806141835 1051750899 /nfs/dbraw/zinc/75/08/99/1051750899.db2.gz WYMFBFWEBZWSET-UFBFGSQYSA-N 0 0 308.274 4.491 20 10 DICDRN CC[C@H]([NH2+]C[C@@H](O)c1cccc(C)c1)c1cccc(Cl)c1[O-] ZINC000806149154 1051753946 /nfs/dbraw/zinc/75/39/46/1051753946.db2.gz PTPWKYGHDREWSU-DLBZAZTESA-N 0 0 319.832 4.128 20 10 DICDRN CC[C@@H]([NH2+]CCCCCCO)c1cc(Cl)cc(Cl)c1[O-] ZINC000806150291 1051755419 /nfs/dbraw/zinc/75/54/19/1051755419.db2.gz OYPMGBQONCQYOL-CQSZACIVSA-N 0 0 320.260 4.292 20 10 DICDRN COc1cc(Nc2ccccc2Cc2ccc(N)cc2)cnc1F ZINC001216423536 1051757971 /nfs/dbraw/zinc/75/79/71/1051757971.db2.gz HRCFHQCRWHXXSN-UHFFFAOYSA-N 0 0 323.371 4.146 20 10 DICDRN COc1cc(N(Cc2ccccc2)c2ccc(N)cc2)cnc1F ZINC001216423789 1051758365 /nfs/dbraw/zinc/75/83/65/1051758365.db2.gz KCJAGTIMNBEMHH-UHFFFAOYSA-N 0 0 323.371 4.150 20 10 DICDRN CC[C@@H](Nc1cnn(CC(C)C)c1)c1cccc(Cl)c1O ZINC000806155147 1051759156 /nfs/dbraw/zinc/75/91/56/1051759156.db2.gz NPTBJNZHQARELY-OAHLLOKOSA-N 0 0 307.825 4.461 20 10 DICDRN CCOC[C@H](C)[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806159656 1051763089 /nfs/dbraw/zinc/76/30/89/1051763089.db2.gz BARODKMVZYAUEM-ZANVPECISA-N 0 0 306.233 4.165 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1cccc(Cl)c1[O-] ZINC000806162351 1051765191 /nfs/dbraw/zinc/76/51/91/1051765191.db2.gz VHGUMXMMKQKEIF-WMLDXEAASA-N 0 0 322.880 4.103 20 10 DICDRN C[C@@H]([NH2+]C[C@@H]1CCCSC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000806178447 1051772563 /nfs/dbraw/zinc/77/25/63/1051772563.db2.gz GGHVEGSTOQNLOQ-ZJUUUORDSA-N 0 0 320.285 4.493 20 10 DICDRN C[C@H]([NH2+]C[C@H]1CCCSC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000806180049 1051772740 /nfs/dbraw/zinc/77/27/40/1051772740.db2.gz YZRZFJXQDXEXBN-VHSXEESVSA-N 0 0 320.285 4.493 20 10 DICDRN CC(C)Cn1ncc(N[C@H](C)c2cc(F)ccc2O)c1C1CC1 ZINC000806180709 1051773261 /nfs/dbraw/zinc/77/32/61/1051773261.db2.gz HUMVJQNACHBTPD-GFCCVEGCSA-N 0 0 317.408 4.434 20 10 DICDRN O=C(Nc1cccc(N2CCCC2)c1)c1ccccc1OC1CC1 ZINC000806510913 1051806782 /nfs/dbraw/zinc/80/67/82/1051806782.db2.gz CBJPIJXLHAFPJC-UHFFFAOYSA-N 0 0 322.408 4.080 20 10 DICDRN Nc1c(Cl)cccc1Nc1ccccc1C(=O)c1ccncc1 ZINC001216529850 1051807671 /nfs/dbraw/zinc/80/76/71/1051807671.db2.gz KPZZOGXZIVGKTH-UHFFFAOYSA-N 0 0 323.783 4.292 20 10 DICDRN C[C@@H](N[C@@H](C)c1cc(Cl)c(Cl)cc1O)C(F)(F)F ZINC000806660570 1051836720 /nfs/dbraw/zinc/83/67/20/1051836720.db2.gz HFTNKESXASHHMR-NTSWFWBYSA-N 0 0 302.123 4.300 20 10 DICDRN CCOc1ccc(CNc2cnn(C3CCCC3)c2C)c(O)c1 ZINC000767726992 1051841582 /nfs/dbraw/zinc/84/15/82/1051841582.db2.gz FNXTYHZCEXHPJM-UHFFFAOYSA-N 0 0 315.417 4.023 20 10 DICDRN CCc1ccc(NC(=O)N(C)Cc2ccccc2O)cc1Cl ZINC000806679689 1051842244 /nfs/dbraw/zinc/84/22/44/1051842244.db2.gz JTDMZTSNVLMHJC-UHFFFAOYSA-N 0 0 318.804 4.272 20 10 DICDRN CCN(C)c1ccc([C@H](C)N[C@@H](C2CC2)C(F)(F)F)cc1 ZINC000806662226 1051843825 /nfs/dbraw/zinc/84/38/25/1051843825.db2.gz KQTGOIYDXYUPFE-NHYWBVRUSA-N 0 0 300.368 4.134 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(F)c(Cl)c1 ZINC000767934928 1051866390 /nfs/dbraw/zinc/86/63/90/1051866390.db2.gz UBEUMCIPXLKHRZ-UHFFFAOYSA-N 0 0 321.779 4.237 20 10 DICDRN Cc1cc(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)ncn1 ZINC000768127803 1051887183 /nfs/dbraw/zinc/88/71/83/1051887183.db2.gz UHCJBZCKZGUKDD-UHFFFAOYSA-N 0 0 317.352 4.453 20 10 DICDRN COc1ccc(F)cc1N(c1ccc(N)cc1)c1ccc(N)cc1 ZINC001173957018 1051893754 /nfs/dbraw/zinc/89/37/54/1051893754.db2.gz QQWFKNSHAQEEQI-UHFFFAOYSA-N 0 0 323.371 4.469 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1CN1CCc2sccc2C1 ZINC000768234732 1051907455 /nfs/dbraw/zinc/90/74/55/1051907455.db2.gz OGWYUKKYXLSRBS-UHFFFAOYSA-N 0 0 314.237 4.319 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)c1c(C)oc2ccccc21 ZINC000768253938 1051909641 /nfs/dbraw/zinc/90/96/41/1051909641.db2.gz OVXDYMVEGLUGHM-UHFFFAOYSA-N 0 0 323.392 4.499 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCCc2sccc21)c1cc(F)cc(F)c1[O-] ZINC000768278797 1051916870 /nfs/dbraw/zinc/91/68/70/1051916870.db2.gz PXNSYFPCFYHXOT-YMTOWFKASA-N 0 0 309.381 4.460 20 10 DICDRN CCOc1ccc(NCc2cc(F)ccc2O)c2ncccc12 ZINC000768529441 1051941150 /nfs/dbraw/zinc/94/11/50/1051941150.db2.gz XJXFQMHZUDUHGP-UHFFFAOYSA-N 0 0 312.344 4.090 20 10 DICDRN Cc1ccc(-n2c(N)c(/N=N/c3ccccc3)ccc2=N)cc1F ZINC001174019340 1051951075 /nfs/dbraw/zinc/95/10/75/1051951075.db2.gz FKSVQNLHPITPRS-UKLSTIIHSA-N 0 0 321.359 4.402 20 10 DICDRN COc1ccc(Nc2ccccc2C(=O)c2ccncc2)c(C)c1 ZINC001174024183 1051954637 /nfs/dbraw/zinc/95/46/37/1051954637.db2.gz WHWKMIYKXSVRED-UHFFFAOYSA-N 0 0 318.376 4.373 20 10 DICDRN Oc1ccc(OC(F)(F)F)cc1Nc1ccnc2ccccc21 ZINC001174039310 1051961272 /nfs/dbraw/zinc/96/12/72/1051961272.db2.gz OAILPNZRIMLANG-UHFFFAOYSA-N 0 0 320.270 4.005 20 10 DICDRN C[C@@H]1CCC[C@@H]1CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000768982808 1051986589 /nfs/dbraw/zinc/98/65/89/1051986589.db2.gz GLMFJJZCTHIOMH-SJLPKXTDSA-N 0 0 314.473 4.119 20 10 DICDRN CC(C)(C(=O)NCc1ccccc1O)c1ccc2ccccc2c1 ZINC000769002878 1051992784 /nfs/dbraw/zinc/99/27/84/1051992784.db2.gz YFKHGWMBSZIPTL-UHFFFAOYSA-N 0 0 319.404 4.139 20 10 DICDRN 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ZINC001256936010 1063056363 /nfs/dbraw/zinc/05/63/63/1063056363.db2.gz XZARSPXAYDYSNZ-UHFFFAOYSA-N 0 0 317.348 4.106 20 10 DICDRN Clc1cc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)ccn1 ZINC001256941077 1063059405 /nfs/dbraw/zinc/05/94/05/1063059405.db2.gz QAKODTUVUHDASY-UHFFFAOYSA-N 0 0 322.755 4.243 20 10 DICDRN Cc1cc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)c(C)[nH]1 ZINC001256975064 1063064977 /nfs/dbraw/zinc/06/49/77/1063064977.db2.gz PBTMWBJKEDKWJF-UHFFFAOYSA-N 0 0 304.353 4.139 20 10 DICDRN Fc1ccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)s1 ZINC001256978595 1063068234 /nfs/dbraw/zinc/06/82/34/1063068234.db2.gz OTXOVWSHOWQOBG-UHFFFAOYSA-N 0 0 311.341 4.395 20 10 DICDRN Oc1ccc(F)c(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)c1 ZINC001256988580 1063071311 /nfs/dbraw/zinc/07/13/11/1063071311.db2.gz YSCDUBXTAQTXLI-UHFFFAOYSA-N 0 0 321.311 4.039 20 10 DICDRN CC(C)Cc1ccccc1C(=O)NCc1cccc(Cl)c1O ZINC001472316773 1063072127 /nfs/dbraw/zinc/07/21/27/1063072127.db2.gz GSMJYIUGFWKKRQ-UHFFFAOYSA-N 0 0 317.816 4.174 20 10 DICDRN Oc1ccc(F)cc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256987670 1063072291 /nfs/dbraw/zinc/07/22/91/1063072291.db2.gz GXYKLYRRVSDATP-UHFFFAOYSA-N 0 0 321.311 4.039 20 10 DICDRN CC(C)[C@H]1CCC[C@@H](NC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC001478487255 1063191357 /nfs/dbraw/zinc/19/13/57/1063191357.db2.gz SURUHVXREAAHHL-GOEBONIOSA-N 0 0 316.445 4.022 20 10 DICDRN Cc1cccc(OCCC[NH2+]Cc2cc(Cl)cc(F)c2[O-])c1 ZINC001461015820 1063192530 /nfs/dbraw/zinc/19/25/30/1063192530.db2.gz YHHPWTVBWLGKGA-UHFFFAOYSA-N 0 0 323.795 4.052 20 10 DICDRN Cc1cc(CC(=O)N2C[C@H](C)[C@H](C)[C@H]2C)c(C)n1-c1ccccc1 ZINC001461021997 1063194467 /nfs/dbraw/zinc/19/44/67/1063194467.db2.gz KCYUUTNDAQCMNB-BHYGNILZSA-N 0 0 324.468 4.140 20 10 DICDRN CC[C@@H]([NH2+]CCCCOc1ccccc1)c1ccc(F)cc1[O-] ZINC001257438139 1063275666 /nfs/dbraw/zinc/27/56/66/1063275666.db2.gz RAFYHFAWYHWEBT-GOSISDBHSA-N 0 0 317.404 4.431 20 10 DICDRN CC(C)(C)[C@H]1CCCC[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001461134326 1063283877 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CN(C)c1ccc(/C=C/CNc2ccc(N3CCCC3)cc2)cc1 ZINC001461331566 1063424272 /nfs/dbraw/zinc/42/42/72/1063424272.db2.gz IBMJXLGUEOFXSR-AATRIKPKSA-N 0 0 321.468 4.478 20 10 DICDRN CCN(CC)c1ccc(CNc2cnn(CC(C)C)c2)cc1F ZINC001461347207 1063432693 /nfs/dbraw/zinc/43/26/93/1063432693.db2.gz FJAQNTUPDGNZEK-UHFFFAOYSA-N 0 0 318.440 4.137 20 10 DICDRN COc1ccc(F)cc1NCc1ccc(N2CCCC2)cc1 ZINC001461357860 1063442500 /nfs/dbraw/zinc/44/25/00/1063442500.db2.gz PWYFVWYHZVPMSU-UHFFFAOYSA-N 0 0 300.377 4.047 20 10 DICDRN Cc1cc(CN(CC(F)F)C2CC2)ccc1N1CCCCC1 ZINC001473154105 1063459703 /nfs/dbraw/zinc/45/97/03/1063459703.db2.gz MILCZDKHEDQTPB-UHFFFAOYSA-N 0 0 308.416 4.215 20 10 DICDRN CN(C)c1ccc(CNc2cnccc2OC(C)(C)C)cc1F ZINC001461410236 1063481236 /nfs/dbraw/zinc/48/12/36/1063481236.db2.gz VJKYVJGKJSJYRT-UHFFFAOYSA-N 0 0 317.408 4.076 20 10 DICDRN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccc2ncsc2c1 ZINC001461442195 1063507807 /nfs/dbraw/zinc/50/78/07/1063507807.db2.gz CXBCVUNTMFDBKE-SECBINFHSA-N 0 0 320.364 4.131 20 10 DICDRN C[C@H](CC[NH2+]Cc1c([O-])ccc(Cl)c1F)c1ccccc1 ZINC001461461667 1063523719 /nfs/dbraw/zinc/52/37/19/1063523719.db2.gz KORZNNYBMGULPH-GFCCVEGCSA-N 0 0 307.796 4.468 20 10 DICDRN Cc1ccc(CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc1C ZINC001461622670 1063618966 /nfs/dbraw/zinc/61/89/66/1063618966.db2.gz ZCMPNDXHFWILFN-UHFFFAOYSA-N 0 0 307.796 4.134 20 10 DICDRN CCS[C@@H]1CCCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001461854503 1063752341 /nfs/dbraw/zinc/75/23/41/1063752341.db2.gz RIZDBDMJIILCJI-GFCCVEGCSA-N 0 0 317.857 4.292 20 10 DICDRN CC(C)[N@@H+](Cc1cc(F)c(F)cc1[O-])Cc1ccccc1F ZINC001461867563 1063760626 /nfs/dbraw/zinc/76/06/26/1063760626.db2.gz NOQNJJZYIDPZHN-UHFFFAOYSA-N 0 0 309.331 4.220 20 10 DICDRN CC[C@H](C)C[N@H+](CC)Cc1cc(C)cc(Br)c1[O-] ZINC001461890827 1063781427 /nfs/dbraw/zinc/78/14/27/1063781427.db2.gz WQQOJDQWRRPMOT-NSHDSACASA-N 0 0 314.267 4.331 20 10 DICDRN Cc1ccc(-c2nnc(/C=C/c3ccc(N(C)C)cc3)o2)cc1F ZINC001258748780 1063798337 /nfs/dbraw/zinc/79/83/37/1063798337.db2.gz SRWXJAOCLJICKK-YRNVUSSQSA-N 0 0 323.371 4.421 20 10 DICDRN C[C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)c3cccnc3c2[O-])C1 ZINC001258808789 1063838495 /nfs/dbraw/zinc/83/84/95/1063838495.db2.gz TZQNMDSTRVAXKD-AAEUAGOBSA-N 0 0 304.821 4.262 20 10 DICDRN CCC[N@H+](Cc1ccc(F)cc1F)Cc1cccc(F)c1[O-] ZINC001461969030 1063847703 /nfs/dbraw/zinc/84/77/03/1063847703.db2.gz HZWAKHGMDFZZTR-UHFFFAOYSA-N 0 0 309.331 4.222 20 10 DICDRN Cc1cc(CCNC(=O)C2(C)CC=CC2)c(C)n1-c1ccccc1 ZINC001461968993 1063848950 /nfs/dbraw/zinc/84/89/50/1063848950.db2.gz PCEFXKUVXCWMPZ-UHFFFAOYSA-N 0 0 322.452 4.109 20 10 DICDRN CN(Cc1ccc(N(C)Cc2cccs2)cc1)CC(F)F ZINC001461984001 1063859907 /nfs/dbraw/zinc/85/99/07/1063859907.db2.gz VZGMWOGUZLQWLN-UHFFFAOYSA-N 0 0 310.413 4.081 20 10 DICDRN C[C@@H]1CN(Cc2ccc(Cl)cc2O)C[C@H](c2ccccc2)O1 ZINC001461990889 1063864974 /nfs/dbraw/zinc/86/49/74/1063864974.db2.gz WYOLPFXPWHPIRX-FZKQIMNGSA-N 0 0 317.816 4.008 20 10 DICDRN C[N@H+](Cc1ccc(F)c(F)c1[O-])[C@H]1CCCc2ccccc21 ZINC001462018049 1063881473 /nfs/dbraw/zinc/88/14/73/1063881473.db2.gz CLNGXVRKCXREBV-INIZCTEOSA-N 0 0 303.352 4.180 20 10 DICDRN CN(C)c1ccc(CN(Cc2nc(Cl)cs2)C2CC2)cc1 ZINC001462043208 1063898740 /nfs/dbraw/zinc/89/87/40/1063898740.db2.gz DTDITXSNRFYGJP-UHFFFAOYSA-N 0 0 321.877 4.027 20 10 DICDRN CCC[C@H](CN1CCCc2cc(OC(F)(F)F)ccc21)OC ZINC001462065115 1063910980 /nfs/dbraw/zinc/91/09/80/1063910980.db2.gz JUTNFLAXAPHKHM-CQSZACIVSA-N 0 0 317.351 4.153 20 10 DICDRN CC[C@@H]1CCCC[C@H]1CN(C)c1cc(OC)c(OC)c(OC)c1 ZINC001462075058 1063917416 /nfs/dbraw/zinc/91/74/16/1063917416.db2.gz OOODRVOTPUCIEV-CABCVRRESA-N 0 0 321.461 4.365 20 10 DICDRN CC[C@H]1CCCC[C@H]1CN(C)c1cc(OC)c(OC)c(OC)c1 ZINC001462075060 1063918009 /nfs/dbraw/zinc/91/80/09/1063918009.db2.gz OOODRVOTPUCIEV-GJZGRUSLSA-N 0 0 321.461 4.365 20 10 DICDRN CCc1ccc(N(CC)C(=O)/C=C/c2ccc(Cl)nc2)cc1 ZINC001264450683 1064099323 /nfs/dbraw/zinc/09/93/23/1064099323.db2.gz CVCVEZCWPMUCJG-XYOKQWHBSA-N 0 0 314.816 4.364 20 10 DICDRN CCCCC[C@H](CC)C(=O)NCc1ccc(N(C)C)cc1C ZINC001265094167 1064190869 /nfs/dbraw/zinc/19/08/69/1064190869.db2.gz SEKYQJYSQLEFEL-INIZCTEOSA-N 0 0 304.478 4.284 20 10 DICDRN CCNC(=O)c1cccc(N[C@H]2C[C@@H](C)c3c2c(O)ccc3C)c1 ZINC000392124412 1064219210 /nfs/dbraw/zinc/21/92/10/1064219210.db2.gz FYTOGPJYVMKTFT-CJNGLKHVSA-N 0 0 324.424 4.111 20 10 DICDRN CCc1cccc(NC(=S)NNc2cccc3cnccc32)c1 ZINC000728448324 1064415115 /nfs/dbraw/zinc/41/51/15/1064415115.db2.gz SACXPPKBVIXUHF-UHFFFAOYSA-N 0 0 322.437 4.111 20 10 DICDRN CCc1ccc(NC(=S)NNc2cccc3cnccc32)cc1 ZINC000728448048 1064416494 /nfs/dbraw/zinc/41/64/94/1064416494.db2.gz GBFBYFSJLRFACN-UHFFFAOYSA-N 0 0 322.437 4.111 20 10 DICDRN Cc1cncc(/C=C/C(=O)N(CC2CC2)c2ccc(C)c(F)c2)c1 ZINC001287509513 1064457585 /nfs/dbraw/zinc/45/75/85/1064457585.db2.gz BYBKIIRDABUKBM-SOFGYWHQSA-N 0 0 324.399 4.294 20 10 DICDRN CCC/C(C)=C\C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001287662324 1064474236 /nfs/dbraw/zinc/47/42/36/1064474236.db2.gz XRGCKWNWGHTERB-QINSGFPZSA-N 0 0 310.441 4.457 20 10 DICDRN 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317.454 4.052 20 10 DICDRN C[C@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCCCC1 ZINC000742373882 1064901840 /nfs/dbraw/zinc/90/18/40/1064901840.db2.gz TUVOCLBPXBFXMD-JTQLQIEISA-N 0 0 312.797 4.012 20 10 DICDRN Cc1cc(C)c(NNC(=S)Nc2ccc(F)cc2)c(C)c1 ZINC000743022711 1064934417 /nfs/dbraw/zinc/93/44/17/1064934417.db2.gz IXIJWULQRSPUCB-UHFFFAOYSA-N 0 0 303.406 4.064 20 10 DICDRN CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC001296140737 1064936898 /nfs/dbraw/zinc/93/68/98/1064936898.db2.gz CYVNNKSLUPXAAK-RHSMWYFYSA-N 0 0 315.438 4.143 20 10 DICDRN Cc1ccc(C(=O)N[C@H]2CCC[C@@H](C(C)(C)C)CC2)c(O)c1O ZINC001296515974 1064950207 /nfs/dbraw/zinc/95/02/07/1064950207.db2.gz RSJWUJOVDZDNBW-KGLIPLIRSA-N 0 0 319.445 4.131 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001297005278 1064967572 /nfs/dbraw/zinc/96/75/72/1064967572.db2.gz GPVYEULTZARRIZ-HZPDHXFCSA-N 0 0 303.446 4.203 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCSC(C)C ZINC001297549858 1064982604 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C[C@H]1C[N@H+](Cc2cc(F)cc(F)c2[O-])CC[C@H]1c1ccccc1 ZINC001308566557 1066074363 /nfs/dbraw/zinc/07/43/63/1066074363.db2.gz ZUSQZCJFXUJVIJ-SUMWQHHRSA-N 0 0 317.379 4.296 20 10 DICDRN Cc1ccc(C[C@H](C)[N@H+](C)Cc2ccc(F)c(F)c2[O-])cc1 ZINC001308572874 1066084201 /nfs/dbraw/zinc/08/42/01/1066084201.db2.gz FECFRQVAWISRLK-ZDUSSCGKSA-N 0 0 305.368 4.042 20 10 DICDRN CCSCC[C@@H](C)[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC001308577014 1066089847 /nfs/dbraw/zinc/08/98/47/1066089847.db2.gz HRTQUWGNERHTPT-SNVBAGLBSA-N 0 0 305.846 4.148 20 10 DICDRN CCC[N@H+](CCc1cccc(F)c1)Cc1cc(F)c(F)cc1[O-] ZINC001308608371 1066115081 /nfs/dbraw/zinc/11/50/81/1066115081.db2.gz XPGWSHWNWRBWID-UHFFFAOYSA-N 0 0 323.358 4.264 20 10 DICDRN C[C@]1(Cc2ccccc2)CCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001308663121 1066143845 /nfs/dbraw/zinc/14/38/45/1066143845.db2.gz MJPPOMLGQIKVCW-LJQANCHMSA-N 0 0 317.379 4.268 20 10 DICDRN CC[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(Cl)cc1O ZINC001308665601 1066144943 /nfs/dbraw/zinc/14/49/43/1066144943.db2.gz 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CCC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000756355506 1066468432 /nfs/dbraw/zinc/46/84/32/1066468432.db2.gz PLBSXMOGNSYBDI-DYVFJYSZSA-N 0 0 314.385 4.492 20 10 DICDRN C[C@@H]([NH2+][C@H](c1cccs1)C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756364252 1066468518 /nfs/dbraw/zinc/46/85/18/1066468518.db2.gz JDIAIGIUPUMMEP-HWPZZCPQSA-N 0 0 318.398 4.164 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCCc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756342147 1066468836 /nfs/dbraw/zinc/46/88/36/1066468836.db2.gz JITSHDMWRXLMSS-SJKOYZFVSA-N 0 0 312.369 4.029 20 10 DICDRN Cc1cc(C)c(NC(=O)NCc2cccc(Cl)c2O)c(C)c1 ZINC001310097674 1066489888 /nfs/dbraw/zinc/48/98/88/1066489888.db2.gz QDLIYMGPDPAVJT-UHFFFAOYSA-N 0 0 318.804 4.293 20 10 DICDRN CCc1ccc(CC)c(NC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001310364947 1066514548 /nfs/dbraw/zinc/51/45/48/1066514548.db2.gz YNRQTLMYUAFUHT-ZDUSSCGKSA-N 0 0 312.413 4.400 20 10 DICDRN Cc1ccc(O)c(CNC(=O)Nc2cccc(C3CCC3)c2)c1 ZINC001310816600 1066565286 /nfs/dbraw/zinc/56/52/86/1066565286.db2.gz PBGFBBDYLCVQQQ-UHFFFAOYSA-N 0 0 310.397 4.290 20 10 DICDRN CC[C@H](C)c1cccc(NC(=O)NCc2c(O)cccc2F)c1 ZINC001311020781 1066588767 /nfs/dbraw/zinc/58/87/67/1066588767.db2.gz YUBXEEIIDPAZEG-LBPRGKRZSA-N 0 0 316.376 4.367 20 10 DICDRN CCCCCCNC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC001311368276 1066628566 /nfs/dbraw/zinc/62/85/66/1066628566.db2.gz LGYVPBOWCSKDDJ-UHFFFAOYSA-N 0 0 323.456 4.051 20 10 DICDRN CN(C)c1ccc(CNc2ccccc2Br)cc1 ZINC000019922457 182164623 /nfs/dbraw/zinc/16/46/23/182164623.db2.gz JSFFAJDJLAFBEQ-UHFFFAOYSA-N 0 0 305.219 4.127 20 10 DICDRN COc1cc(N[C@@H](C)c2ccccc2O)c(OC)cc1Cl ZINC000021506490 182276037 /nfs/dbraw/zinc/27/60/37/182276037.db2.gz GOYDPWINDLGJFO-JTQLQIEISA-N 0 0 307.777 4.236 20 10 DICDRN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)N1CCC[C@H](O)C1 ZINC000043189320 183343408 /nfs/dbraw/zinc/34/34/08/183343408.db2.gz BEYROHLYLFKJMY-UAFUQJIBSA-N 0 0 324.384 4.091 20 10 DICDRN Cc1cc(NCc2cccc(Br)c2O)ccc1F ZINC000061116747 184161897 /nfs/dbraw/zinc/16/18/97/184161897.db2.gz JWNMGOJSTMVITJ-UHFFFAOYSA-N 0 0 310.166 4.214 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCSc2ccccc21)c1ccc(F)cc1[O-] ZINC000062747534 184252090 /nfs/dbraw/zinc/25/20/90/184252090.db2.gz LMQZKNOBQUNKLF-XHDPSFHLSA-N 0 0 303.402 4.419 20 10 DICDRN CCOc1ccc(N[C@@H](C)c2ccc(C)c(C)c2O)cc1CO ZINC000273452096 130123651 /nfs/dbraw/zinc/12/36/51/130123651.db2.gz OWJUIKURUBTZMX-AWEZNQCLSA-N 0 0 315.413 4.073 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000273621883 130147250 /nfs/dbraw/zinc/14/72/50/130147250.db2.gz ZJHOKQNCNAYNQI-BLLLJJGKSA-N 0 0 300.358 4.102 20 10 DICDRN Oc1cccc(Cl)c1C[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000274222789 130218554 /nfs/dbraw/zinc/21/85/54/130218554.db2.gz ZHQKYLYWQRPBSB-KSSFIOAISA-N 0 0 317.816 4.056 20 10 DICDRN CC[C@H]([NH2+]CCc1nc2c(cccc2C)o1)c1ccccc1O ZINC000274882450 130270820 /nfs/dbraw/zinc/27/08/20/130270820.db2.gz HVXGYEQEJHVMJH-HNNXBMFYSA-N 0 0 310.397 4.125 20 10 DICDRN Cc1cc([C@@H](C)NCc2ccc(N3CCC(C)CC3)cc2)no1 ZINC000283919475 131033330 /nfs/dbraw/zinc/03/33/30/131033330.db2.gz DOQIXKATJNSAJM-MRXNPFEDSA-N 0 0 313.445 4.070 20 10 DICDRN Cc1cc(C)c([C@@H](C)Nc2ccc3ccn(C)c(=O)c3c2)c(O)c1 ZINC000284252216 131064255 /nfs/dbraw/zinc/06/42/55/131064255.db2.gz RJFGPZDKBONZJO-CQSZACIVSA-N 0 0 322.408 4.034 20 10 DICDRN C[C@@H](N[C@@H](C)c1c(F)cncc1F)c1cc(Cl)ccc1O ZINC000285804543 131203878 /nfs/dbraw/zinc/20/38/78/131203878.db2.gz WDGJCODYTDNSCE-BDAKNGLRSA-N 0 0 312.747 4.131 20 10 DICDRN CCC(=O)Nc1ccc(N[C@H](CC)c2ccc(F)cc2O)cc1 ZINC000285992195 131214289 /nfs/dbraw/zinc/21/42/89/131214289.db2.gz HBIXCPWUGGHDJE-MRXNPFEDSA-N 0 0 316.376 4.443 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)C[C@H](O)c1cccs1)c1ccc(F)cc1[O-] ZINC000286155386 131222758 /nfs/dbraw/zinc/22/27/58/131222758.db2.gz POUGCCZGFBYCIA-PJODQICGSA-N 0 0 323.433 4.146 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccc([C@@H](C)O)cc1)c1cccc(Cl)c1[O-] ZINC000287269834 131271991 /nfs/dbraw/zinc/27/19/91/131271991.db2.gz AWMYSMCSTRSWTF-SJKOYZFVSA-N 0 0 319.832 4.340 20 10 DICDRN Cc1ccccc1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298842096 132079547 /nfs/dbraw/zinc/07/95/47/132079547.db2.gz HQUQPGBIONNWTD-UHFFFAOYSA-N 0 0 323.440 4.258 20 10 DICDRN CCSc1nnc(NCc2c(C)c3ccccc3n2C)s1 ZINC000490002057 435653952 /nfs/dbraw/zinc/65/39/52/435653952.db2.gz DSSBNDHCPYRSOZ-UHFFFAOYSA-N 0 0 318.471 4.062 20 10 DICDRN CC(C)C[C@@H](C)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000274191417 334056709 /nfs/dbraw/zinc/05/67/09/334056709.db2.gz QWHDXTLZZOFCCD-CQSZACIVSA-N 0 0 322.412 4.017 20 10 DICDRN Cc1ncc(C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])s1 ZINC000278884196 334102752 /nfs/dbraw/zinc/10/27/52/334102752.db2.gz YBDNQKATTUGPLI-SSDOTTSWSA-N 0 0 317.241 4.315 20 10 DICDRN CC[C@H]([NH2+]Cc1nc(C(C)C)cs1)c1ccc(F)cc1[O-] ZINC000286244171 334152161 /nfs/dbraw/zinc/15/21/61/334152161.db2.gz UBUWBKTWWYAYGF-ZDUSSCGKSA-N 0 0 308.422 4.352 20 10 DICDRN CC[C@@H]([NH2+]Cc1nc(C(C)C)cs1)c1ccc(F)cc1[O-] ZINC000286244165 334152272 /nfs/dbraw/zinc/15/22/72/334152272.db2.gz UBUWBKTWWYAYGF-CYBMUJFWSA-N 0 0 308.422 4.352 20 10 DICDRN COc1ccc(O)c([C@H](C)Nc2nc3ccccc3s2)c1 ZINC000301196863 336294430 /nfs/dbraw/zinc/29/44/30/336294430.db2.gz NVSOBGPOEVPUMX-JTQLQIEISA-N 0 0 300.383 4.184 20 10 DICDRN CN(Cc1ccccc1O)c1ncc(C(F)(F)F)cc1Cl ZINC000301840361 336333502 /nfs/dbraw/zinc/33/35/02/336333502.db2.gz APPMOPQNCFFQNL-UHFFFAOYSA-N 0 0 316.710 4.096 20 10 DICDRN C[C@H](Nc1cccc(C(F)(F)F)n1)c1ccc(N(C)C)cc1 ZINC000302335187 336357399 /nfs/dbraw/zinc/35/73/99/336357399.db2.gz ASSDFGCTCGGPOQ-NSHDSACASA-N 0 0 309.335 4.340 20 10 DICDRN C[C@@H](Nc1nnc(C(C)(C)C)s1)c1ccc(N(C)C)cc1 ZINC000302471732 336359385 /nfs/dbraw/zinc/35/93/85/336359385.db2.gz WOEBQSAJDFJYIS-LLVKDONJSA-N 0 0 304.463 4.075 20 10 DICDRN Cc1[nH]c2ccccc2c1C1=CCN(c2ncncc2Cl)CC1 ZINC000302612534 336362514 /nfs/dbraw/zinc/36/25/14/336362514.db2.gz FIQATQVFYIMISU-UHFFFAOYSA-N 0 0 324.815 4.213 20 10 DICDRN C[C@@H](Nc1ncc(C(F)(F)F)s1)c1ccc(N(C)C)cc1 ZINC000302761849 336368015 /nfs/dbraw/zinc/36/80/15/336368015.db2.gz KIFIIWSYSKYIAT-SECBINFHSA-N 0 0 315.364 4.401 20 10 DICDRN Cc1cccc(-c2nnc([C@@H](C)Sc3nccs3)o2)c1 ZINC000363181078 336819942 /nfs/dbraw/zinc/81/99/42/336819942.db2.gz RCKWCLGXTOPFAK-SNVBAGLBSA-N 0 0 303.412 4.355 20 10 DICDRN C[C@@H]([NH2+][C@H](c1ccccc1)c1ccncc1)c1ccc(F)cc1[O-] ZINC000185152462 337202383 /nfs/dbraw/zinc/20/23/83/337202383.db2.gz MZETZDZDFXTVFJ-JLTOFOAXSA-N 0 0 322.383 4.367 20 10 DICDRN Cc1ncccc1C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000527983539 337777654 /nfs/dbraw/zinc/77/76/54/337777654.db2.gz AOSGXXHTBHNZIH-JTQLQIEISA-N 0 0 311.212 4.253 20 10 DICDRN C[C@@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1ccc(F)cc1[O-] ZINC000527962109 337780245 /nfs/dbraw/zinc/78/02/45/337780245.db2.gz FCEUUAQPFSAIAO-XIKOKIGWSA-N 0 0 300.377 4.118 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)c1ncccc1F)c1cccc(Cl)c1[O-] ZINC000528037908 337782727 /nfs/dbraw/zinc/78/27/27/337782727.db2.gz MVYVBWUYOMYJEU-HZMBPMFUSA-N 0 0 308.784 4.382 20 10 DICDRN Cc1c2ccccc2n(C)c1CNC(=O)CCc1ccc(C)cc1 ZINC000471224166 339340381 /nfs/dbraw/zinc/34/03/81/339340381.db2.gz XRVMVIYKUOCFIU-UHFFFAOYSA-N 0 0 320.436 4.044 20 10 DICDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cc2ccccc2o1 ZINC000471226667 339340481 /nfs/dbraw/zinc/34/04/81/339340481.db2.gz MMKKFCWDKQZKES-UHFFFAOYSA-N 0 0 318.376 4.163 20 10 DICDRN Cc1c2ccccc2n(C)c1CNC(=O)N(CC(C)C)C(C)C ZINC000472232518 339366763 /nfs/dbraw/zinc/36/67/63/339366763.db2.gz UQWAZIYQASOHHU-UHFFFAOYSA-N 0 0 315.461 4.063 20 10 DICDRN Cc1ccc2c(C3=CCN(c4cccc(C)n4)CC3)c[nH]c2c1 ZINC000475054289 339437483 /nfs/dbraw/zinc/43/74/83/339437483.db2.gz NLEUFFQXRUFCKT-UHFFFAOYSA-N 0 0 303.409 4.473 20 10 DICDRN Cc1ccc(NC(=O)NCc2c(C)c3ccccc3n2C)s1 ZINC000478884004 339524109 /nfs/dbraw/zinc/52/41/09/339524109.db2.gz MDJNRBUTQIIIMX-UHFFFAOYSA-N 0 0 313.426 4.178 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000529642249 340766203 /nfs/dbraw/zinc/76/62/03/340766203.db2.gz NXOFAMPBWSILGN-VNQPRFMTSA-N 0 0 320.219 4.127 20 10 DICDRN CC(C)(C)C[C@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000262498989 341523168 /nfs/dbraw/zinc/52/31/68/341523168.db2.gz LUGJVKZFHKHJMF-SFHVURJKSA-N 0 0 310.441 4.105 20 10 DICDRN CC(C)C(=O)Nc1cccc(N[C@H]2CCc3cccc(O)c32)c1 ZINC000296926247 341719294 /nfs/dbraw/zinc/71/92/94/341719294.db2.gz PTYPWMGTUOLWLH-INIZCTEOSA-N 0 0 310.397 4.086 20 10 DICDRN CC(C)(C)OC(=O)Nc1ccc(NCc2ccccc2O)cc1 ZINC000159415145 518841485 /nfs/dbraw/zinc/84/14/85/518841485.db2.gz ULXUWROWUKPFSK-UHFFFAOYSA-N 0 0 314.385 4.351 20 10 DICDRN CC(C)Oc1ccc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])cc1 ZINC000191198227 519779801 /nfs/dbraw/zinc/77/98/01/519779801.db2.gz LLPLBWWBAUFCSM-LBPRGKRZSA-N 0 0 321.367 4.308 20 10 DICDRN CC(C)Oc1ccc(C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])cc1 ZINC000191198242 519779982 /nfs/dbraw/zinc/77/99/82/519779982.db2.gz LLPLBWWBAUFCSM-GFCCVEGCSA-N 0 0 321.367 4.308 20 10 DICDRN CCN(C)c1ccc([C@H](C)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000181961387 520289434 /nfs/dbraw/zinc/28/94/34/520289434.db2.gz LBBBCUNEGQGNOT-AWEZNQCLSA-N 0 0 311.429 4.274 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])c1ccc(OC)cc1 ZINC000191186006 522912394 /nfs/dbraw/zinc/91/23/94/522912394.db2.gz BXYPYABVTUIXTQ-MEDUHNTESA-N 0 0 321.367 4.481 20 10 DICDRN CC[C@@H](Nc1cc(OC)c(OC)cc1F)c1ccccc1O ZINC000157485852 522955064 /nfs/dbraw/zinc/95/50/64/522955064.db2.gz ZNLQCGMLAYSSCS-CYBMUJFWSA-N 0 0 305.349 4.112 20 10 DICDRN CC[C@](C)([NH2+]Cc1cccc(Cl)c1[O-])c1nc(C)cs1 ZINC000182226761 523489541 /nfs/dbraw/zinc/48/95/41/523489541.db2.gz NUSMFIOEFXSZPX-HNNXBMFYSA-N 0 0 310.850 4.226 20 10 DICDRN CC(=O)Nc1cc(N[C@@H](C)c2ccc(C)c(C)c2O)ccc1C ZINC000273497087 534718991 /nfs/dbraw/zinc/71/89/91/534718991.db2.gz PIFNFRIHLMWWLA-AWEZNQCLSA-N 0 0 312.413 4.449 20 10 DICDRN CC[C@@](C)([NH2+]Cc1cccc(Cl)c1[O-])c1nc(C)cs1 ZINC000182226783 523656674 /nfs/dbraw/zinc/65/66/74/523656674.db2.gz NUSMFIOEFXSZPX-OAHLLOKOSA-N 0 0 310.850 4.226 20 10 DICDRN C[C@@H](NCc1nccs1)c1ccc(N2CCCCCC2)cc1 ZINC000128181844 525563029 /nfs/dbraw/zinc/56/30/29/525563029.db2.gz SUGRQLUHQOGEEY-OAHLLOKOSA-N 0 0 315.486 4.374 20 10 DICDRN C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)c1ccc(F)c(F)c1[O-] ZINC000191191104 525628344 /nfs/dbraw/zinc/62/83/44/525628344.db2.gz JSLKAXTYHGGLJZ-DIFFPNOSSA-N 0 0 303.352 4.472 20 10 DICDRN C[C@@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(F)c(F)c1[O-] ZINC000191196700 525680153 /nfs/dbraw/zinc/68/01/53/525680153.db2.gz LSCGTJKEJZINJT-UTLUCORTSA-N 0 0 323.305 4.442 20 10 DICDRN CSCc1cccc(C[NH2+]Cc2cccc(Cl)c2[O-])c1 ZINC000188974616 525738741 /nfs/dbraw/zinc/73/87/41/525738741.db2.gz JGFGCTUBLJSPSS-UHFFFAOYSA-N 0 0 307.846 4.198 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1[O-] ZINC000297379724 529200393 /nfs/dbraw/zinc/20/03/93/529200393.db2.gz QYEBYMIODBMAEM-MEDUHNTESA-N 0 0 318.348 4.241 20 10 DICDRN CC(C)(C)c1cnc(Sc2nccc(C(F)(F)F)n2)s1 ZINC000301635881 535146088 /nfs/dbraw/zinc/14/60/88/535146088.db2.gz KWQZEGXXXOUGDQ-UHFFFAOYSA-N 0 0 319.377 4.401 20 10 DICDRN CCOCCC1(C[NH2+][C@@H](CC)c2cccc(Cl)c2[O-])CC1 ZINC000287838155 535488567 /nfs/dbraw/zinc/48/85/67/535488567.db2.gz WAXFOKYBSKLMJN-HNNXBMFYSA-N 0 0 311.853 4.293 20 10 DICDRN CCOCCC1(C[NH2+][C@H](CC)c2cccc(Cl)c2[O-])CC1 ZINC000287838160 535488944 /nfs/dbraw/zinc/48/89/44/535488944.db2.gz WAXFOKYBSKLMJN-OAHLLOKOSA-N 0 0 311.853 4.293 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccc(Cl)nc1)c1cccc(Cl)c1[O-] ZINC000287738946 535805903 /nfs/dbraw/zinc/80/59/03/535805903.db2.gz POAASFCMIQFDCY-CYBMUJFWSA-N 0 0 311.212 4.335 20 10 DICDRN CC[C@H]([NH2+]C1(c2nc(C)cs2)CCC1)c1ccc(F)cc1[O-] ZINC000286033171 535892745 /nfs/dbraw/zinc/89/27/45/535892745.db2.gz JIGCDEJIUUQMRU-AWEZNQCLSA-N 0 0 320.433 4.416 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc([C@H](C)O)cc1)c1cccc(Cl)c1[O-] ZINC000287269831 535918049 /nfs/dbraw/zinc/91/80/49/535918049.db2.gz AWMYSMCSTRSWTF-SJCJKPOMSA-N 0 0 319.832 4.340 20 10 DICDRN CCc1cnc(C[NH2+][C@H](CC)c2cccc(Cl)c2[O-])s1 ZINC000287809647 536053972 /nfs/dbraw/zinc/05/39/72/536053972.db2.gz UPYGLYOHEYBGTE-CYBMUJFWSA-N 0 0 310.850 4.305 20 10 DICDRN CC[C@H](C)[C@@H](C)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000272473665 536183788 /nfs/dbraw/zinc/18/37/88/536183788.db2.gz XLRBGBLLMMYTIH-UONOGXRCSA-N 0 0 322.412 4.017 20 10 DICDRN CCN(Cc1ccccc1O)Cc1c(F)ccc(OC)c1Cl ZINC001143372704 1035608924 /nfs/dbraw/zinc/60/89/24/1035608924.db2.gz KTIFSZZOCRRARG-UHFFFAOYSA-N 0 0 323.795 4.215 20 10 DICDRN CCN(C(=O)/C=C\c1scnc1C)c1cc(C)cc(C)c1 ZINC001125282983 1035628519 /nfs/dbraw/zinc/62/85/19/1035628519.db2.gz BHOHZARFOCNGJD-SREVYHEPSA-N 0 0 300.427 4.135 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001625794001 1035681542 /nfs/dbraw/zinc/68/15/42/1035681542.db2.gz AKTDXDVDHIOZSA-JFIYKMOQSA-N 0 0 316.489 4.173 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001625794004 1035683647 /nfs/dbraw/zinc/68/36/47/1035683647.db2.gz AKTDXDVDHIOZSA-XYJFISCASA-N 0 0 316.489 4.173 20 10 DICDRN C[C@@H](NCc1cc(-c2ccccc2)on1)c1ccc(N(C)C)cc1 ZINC000154768251 1036013640 /nfs/dbraw/zinc/01/36/40/1036013640.db2.gz SWGZVUAUCJOSAB-OAHLLOKOSA-N 0 0 321.424 4.258 20 10 DICDRN C/C(=C/c1cccc(Cl)c1)C(=O)N(C)Cc1ccccc1O ZINC000255035911 1036035324 /nfs/dbraw/zinc/03/53/24/1036035324.db2.gz QAVVZRMDXPOQLH-RAXLEYEMSA-N 0 0 315.800 4.108 20 10 DICDRN Oc1c(Br)cccc1CNc1cc(F)cc(F)c1 ZINC000042411713 1036118132 /nfs/dbraw/zinc/11/81/32/1036118132.db2.gz LSAWOJIVWCKSDS-UHFFFAOYSA-N 0 0 314.129 4.045 20 10 DICDRN CC(C)c1ccsc1C(=O)NCc1cccc(Cl)c1O ZINC000890758255 1036221594 /nfs/dbraw/zinc/22/15/94/1036221594.db2.gz UBJMJVALMUQCQL-UHFFFAOYSA-N 0 0 309.818 4.161 20 10 DICDRN Cc1ccc(C=C2SC(Nc3ccccc3C)=NC2=O)s1 ZINC000211629926 1036431633 /nfs/dbraw/zinc/43/16/33/1036431633.db2.gz MUUORWAFGKFRFS-NTEUORMPSA-N 0 0 314.435 4.447 20 10 DICDRN C/C(=C/C(=O)NCc1cc(C)ccc1O)c1cccc(Cl)c1 ZINC001167293883 1036480375 /nfs/dbraw/zinc/48/03/75/1036480375.db2.gz SPDDFKXBFPLWTG-LCYFTJDESA-N 0 0 315.800 4.074 20 10 DICDRN CN(C)c1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1 ZINC000049808173 1036614381 /nfs/dbraw/zinc/61/43/81/1036614381.db2.gz XMYLWCQNUYURSL-UHFFFAOYSA-N 0 0 305.303 4.315 20 10 DICDRN CC(C)C[C@@H](C(=O)N[C@H](C)c1ccccc1O)c1ccccc1 ZINC001648890064 1036673585 /nfs/dbraw/zinc/67/35/85/1036673585.db2.gz YHYNKHNOBHTOCF-CRAIPNDOSA-N 0 0 311.425 4.399 20 10 DICDRN CC(=O)c1cc(N(Cc2ccccc2)c2ccc(N)cc2)ccn1 ZINC001210595409 1036853875 /nfs/dbraw/zinc/85/38/75/1036853875.db2.gz KPUPRJQIDZVHMB-UHFFFAOYSA-N 0 0 317.392 4.205 20 10 DICDRN CCOc1cncc(Nc2ccc(Cc3ccc(N)cc3)cc2)c1 ZINC001210665347 1036908259 /nfs/dbraw/zinc/90/82/59/1036908259.db2.gz QWGKZOAGUQKHKG-UHFFFAOYSA-N 0 0 319.408 4.397 20 10 DICDRN CCn1c(C)cc(/C=C2/C(=O)Nc3cc(Cl)ccc32)c1C ZINC000728286411 1036985518 /nfs/dbraw/zinc/98/55/18/1036985518.db2.gz FAJUUDWYFZXMFV-OVCLIPMQSA-N 0 0 300.789 4.271 20 10 DICDRN Nc1ccc(NC(=O)C2(c3cccc(Cl)c3)CCCC2)cc1 ZINC000160432402 1037004118 /nfs/dbraw/zinc/00/41/18/1037004118.db2.gz YSPODVTZKMYFJA-UHFFFAOYSA-N 0 0 314.816 4.373 20 10 DICDRN 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CS[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000815584178 1041967172 /nfs/dbraw/zinc/96/71/72/1041967172.db2.gz XNHDJOUMFSZFCB-GMTAPVOTSA-N 0 0 319.392 4.346 20 10 DICDRN C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815598381 1041970304 /nfs/dbraw/zinc/97/03/04/1041970304.db2.gz UCFPELNKAHUBPE-MNOVXSKESA-N 0 0 317.351 4.019 20 10 DICDRN Cc1cnccc1CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815597773 1041970783 /nfs/dbraw/zinc/97/07/83/1041970783.db2.gz FYJRJWHZRWXLNC-LBPRGKRZSA-N 0 0 324.346 4.008 20 10 DICDRN CC(C)CCOCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815571106 1041971756 /nfs/dbraw/zinc/97/17/56/1041971756.db2.gz VAVRKJLXTBGQPL-GFCCVEGCSA-N 0 0 319.367 4.124 20 10 DICDRN COc1cc(F)c(N[C@H](C)c2c(C)cc(C)cc2O)cc1OC ZINC000815608825 1041973190 /nfs/dbraw/zinc/97/31/90/1041973190.db2.gz NXTSZNPLGDHCLD-GFCCVEGCSA-N 0 0 319.376 4.338 20 10 DICDRN C[C@@H]([NH2+]C[C@@H]1CCCSC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815626600 1041977261 /nfs/dbraw/zinc/97/72/61/1041977261.db2.gz ICCKVYGDUGGLQU-MNOVXSKESA-N 0 0 319.392 4.205 20 10 DICDRN C[C@H](N[C@H]1CCCC1(F)F)c1cccc(C(F)(F)F)c1O ZINC000815626616 1041977520 /nfs/dbraw/zinc/97/75/20/1041977520.db2.gz IJPHWXRRYUVXTA-KWQFWETISA-N 0 0 309.278 4.249 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815607906 1041980490 /nfs/dbraw/zinc/98/04/90/1041980490.db2.gz LKGSZPDCSSGBBL-RKDXNWHRSA-N 0 0 309.278 4.249 20 10 DICDRN CCCCn1ncc(N[C@H](C)c2c(C)cc(C)cc2O)c1C ZINC000815609241 1041981063 /nfs/dbraw/zinc/98/10/63/1041981063.db2.gz BGZVKBYOJJDEKJ-CQSZACIVSA-N 0 0 301.434 4.487 20 10 DICDRN COc1cc(N[C@@H](C)c2c(C)cc(C)cc2O)cc(OC)c1 ZINC000815609245 1041981147 /nfs/dbraw/zinc/98/11/47/1041981147.db2.gz BIYGAMCPIASFOQ-ZDUSSCGKSA-N 0 0 301.386 4.199 20 10 DICDRN C[C@H](Nc1ccc([C@H]2CCOC2)cc1)c1ccc(N(C)C)cc1 ZINC000815653700 1041986810 /nfs/dbraw/zinc/98/68/10/1041986810.db2.gz QVNKDOMRHMEBSB-YJBOKZPZSA-N 0 0 310.441 4.430 20 10 DICDRN C[C@@H](Nc1ccc([C@@H]2CCOC2)cc1)c1ccc(N(C)C)cc1 ZINC000815653697 1041986951 /nfs/dbraw/zinc/98/69/51/1041986951.db2.gz QVNKDOMRHMEBSB-CRAIPNDOSA-N 0 0 310.441 4.430 20 10 DICDRN C/C(Cl)=C\C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC001625904817 1042016319 /nfs/dbraw/zinc/01/63/19/1042016319.db2.gz BKAHPYNNPWDYFC-WYMLVPIESA-N 0 0 320.864 4.214 20 10 DICDRN C[N@H+](Cc1ccc(F)c(F)c1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816485663 1042055439 /nfs/dbraw/zinc/05/54/39/1042055439.db2.gz VRRUXJYWLRZZEM-UHFFFAOYSA-N 0 0 315.722 4.095 20 10 DICDRN CC(C)Oc1ccc(N(C)Cc2ncc(C(C)(C)C)o2)cc1 ZINC000759929370 1042058968 /nfs/dbraw/zinc/05/89/68/1042058968.db2.gz VCCNKAAGVJUXNO-UHFFFAOYSA-N 0 0 302.418 4.396 20 10 DICDRN C[C@H](c1cccc(O)c1)[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816508279 1042061533 /nfs/dbraw/zinc/06/15/33/1042061533.db2.gz HXMGJZYMGXRACZ-SNVBAGLBSA-N 0 0 309.768 4.083 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1(c2ccccc2)CCC1 ZINC000816544366 1042062855 /nfs/dbraw/zinc/06/28/55/1042062855.db2.gz FWAUPERPCMZEDS-UHFFFAOYSA-N 0 0 305.780 4.354 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1c(F)cccc1Cl ZINC000816543962 1042063025 /nfs/dbraw/zinc/06/30/25/1042063025.db2.gz UCQKZUKODRSWDW-UHFFFAOYSA-N 0 0 318.150 4.267 20 10 DICDRN CCOc1ccc(NCc2cc(Cl)c(F)cc2O)cc1F ZINC000816523440 1042064474 /nfs/dbraw/zinc/06/44/74/1042064474.db2.gz PXEUQUCFZUKVEG-UHFFFAOYSA-N 0 0 313.731 4.335 20 10 DICDRN COc1c(F)cc(NCc2ccc3ccccc3c2O)cc1F ZINC000816523646 1042064876 /nfs/dbraw/zinc/06/48/76/1042064876.db2.gz YIYPPLZVQIDEGG-UHFFFAOYSA-N 0 0 315.319 4.444 20 10 DICDRN Oc1cc(F)c(Cl)cc1CNc1ccccc1N1CCCC1 ZINC000816523740 1042066135 /nfs/dbraw/zinc/06/61/35/1042066135.db2.gz CECKIYDDFZCWSJ-UHFFFAOYSA-N 0 0 320.795 4.397 20 10 DICDRN C[C@@H](CCCC(F)(F)F)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816591649 1042066971 /nfs/dbraw/zinc/06/69/71/1042066971.db2.gz KFTZROJKCOQLFR-QMMMGPOBSA-N 0 0 313.722 4.395 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1sccc1F ZINC000816593303 1042067982 /nfs/dbraw/zinc/06/79/82/1042067982.db2.gz MRPMKKAEJNKHFC-UHFFFAOYSA-N 0 0 307.390 4.035 20 10 DICDRN Oc1cc(F)c(Cl)cc1CNc1cnc2ccccc2c1 ZINC000816569650 1042070087 /nfs/dbraw/zinc/07/00/87/1042070087.db2.gz SKWUKKXSENTTND-UHFFFAOYSA-N 0 0 302.736 4.345 20 10 DICDRN C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816569819 1042070844 /nfs/dbraw/zinc/07/08/44/1042070844.db2.gz XQQDUDUJVRSJTP-ZBEGNZNMSA-N 0 0 320.795 4.163 20 10 DICDRN CC(C)c1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001135654098 1042074557 /nfs/dbraw/zinc/07/45/57/1042074557.db2.gz YQDSOGNWXWHVPK-UHFFFAOYSA-N 0 0 310.357 4.225 20 10 DICDRN CCOc1ccc(N[C@H](C)c2ccccc2O)cc1OCC ZINC000314161794 1042077632 /nfs/dbraw/zinc/07/76/32/1042077632.db2.gz KBZTYNGWHJTBMT-CYBMUJFWSA-N 0 0 301.386 4.363 20 10 DICDRN CCCOc1ccc(F)c(Nc2ccc3c(c2)CCN3)c1F ZINC001159522957 1042080428 /nfs/dbraw/zinc/08/04/28/1042080428.db2.gz RFVLJVAXPKIOMI-UHFFFAOYSA-N 0 0 304.340 4.465 20 10 DICDRN CC(=O)Oc1ccc(CN(C)c2ccc(OC(C)C)cc2)cc1 ZINC000759932457 1042084112 /nfs/dbraw/zinc/08/41/12/1042084112.db2.gz GBKDCSHNRHKAMF-UHFFFAOYSA-N 0 0 313.397 4.036 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)C2CCCC2)cc1 ZINC001135733193 1042087363 /nfs/dbraw/zinc/08/73/63/1042087363.db2.gz XHCQIWHVPAAICM-MRXNPFEDSA-N 0 0 316.489 4.318 20 10 DICDRN Cc1nc(-c2ccc(NC(=O)C3=CC(=O)CS3)cc2)cs1 ZINC001135768567 1042089204 /nfs/dbraw/zinc/08/92/04/1042089204.db2.gz JKTYAHHJQLLAIH-UHFFFAOYSA-N 0 0 316.407 4.138 20 10 DICDRN COc1ccc(O)c([C@@H](C)Nc2nc(C3CCCC3)ns2)c1 ZINC000817118365 1042096407 /nfs/dbraw/zinc/09/64/07/1042096407.db2.gz UEEFBWHACAEMRR-SNVBAGLBSA-N 0 0 319.430 4.083 20 10 DICDRN CCC[C@H](CC(C)C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001135914982 1042108681 /nfs/dbraw/zinc/10/86/81/1042108681.db2.gz VWEJSKCSXQNNRY-QGZVFWFLSA-N 0 0 304.478 4.173 20 10 DICDRN CC[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])CCO1 ZINC000817586198 1042118865 /nfs/dbraw/zinc/11/88/65/1042118865.db2.gz LVWSEVWQPUWZQG-IJLUTSLNSA-N 0 0 317.351 4.019 20 10 DICDRN CC[C@H]([NH2+]C[C@@H]1CC12CCSCC2)c1ccc(F)cc1[O-] ZINC000817588463 1042118946 /nfs/dbraw/zinc/11/89/46/1042118946.db2.gz FVLBUHIACFGXSQ-WFASDCNBSA-N 0 0 309.450 4.105 20 10 DICDRN CN(Cc1ccccc1O)C(=O)c1cc(Cl)sc1Cl ZINC000053914839 1042127551 /nfs/dbraw/zinc/12/75/51/1042127551.db2.gz KSQHQVGDUQLUNK-UHFFFAOYSA-N 0 0 316.209 4.033 20 10 DICDRN Cc1cc(C(=O)N(C(C)C)C2CC2)c(C)n1-c1ccc(F)cc1 ZINC000728865460 1042127878 /nfs/dbraw/zinc/12/78/78/1042127878.db2.gz MTWQKKLJOHOVKC-UHFFFAOYSA-N 0 0 314.404 4.246 20 10 DICDRN Cc1ccc(/C=C\C(=O)N(C)c2cc(Cl)ccc2C)cn1 ZINC000818809887 1042160935 /nfs/dbraw/zinc/16/09/35/1042160935.db2.gz XHIOBNVTDZJDDS-CLFYSBASSA-N 0 0 300.789 4.028 20 10 DICDRN CCCC[C@@H](C)N(CCCC)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000818925403 1042163726 /nfs/dbraw/zinc/16/37/26/1042163726.db2.gz ZUWGJQMXQQGXQS-HBIYDYFMSA-N 0 0 319.445 4.318 20 10 DICDRN CCCN(C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)C1CC1 ZINC000728880217 1042173375 /nfs/dbraw/zinc/17/33/75/1042173375.db2.gz NRGFLCGETIJKJE-UHFFFAOYSA-N 0 0 314.404 4.248 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCC[Si](C)(C)C ZINC001136428630 1042245569 /nfs/dbraw/zinc/24/55/69/1042245569.db2.gz GNNRSUFZMIZDDB-UHFFFAOYSA-N 0 0 320.553 4.220 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(C)cc(C)cc1C ZINC001136428856 1042245783 /nfs/dbraw/zinc/24/57/83/1042245783.db2.gz OPHRGEJIONPWKS-UHFFFAOYSA-N 0 0 324.468 4.340 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)[C@H](C)C(C)(C)C ZINC001136428536 1042246010 /nfs/dbraw/zinc/24/60/10/1042246010.db2.gz CHIDDHJCEYIOFH-HOTGVXAUSA-N 0 0 318.505 4.419 20 10 DICDRN CN(Cc1ccccc1O)C(=O)Nc1ccc(C2CCC2)cc1 ZINC000278990034 1042257638 /nfs/dbraw/zinc/25/76/38/1042257638.db2.gz RXGGJCMXIPAHPL-UHFFFAOYSA-N 0 0 310.397 4.324 20 10 DICDRN C[C@H](Nc1ccc(Br)cc1)c1cc(F)ccc1O ZINC000094616707 1042265559 /nfs/dbraw/zinc/26/55/59/1042265559.db2.gz CZQOMYVMJXHDLK-VIFPVBQESA-N 0 0 310.166 4.467 20 10 DICDRN Cc1cc(F)cc(C)c1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000822662247 1042296125 /nfs/dbraw/zinc/29/61/25/1042296125.db2.gz YAZFBDQHKWKJJF-UHFFFAOYSA-N 0 0 312.388 4.295 20 10 DICDRN COc1ccc(N(C)C[C@@H](Cc2ccccc2)OC)cc1Cl ZINC001167881417 1042327113 /nfs/dbraw/zinc/32/71/13/1042327113.db2.gz LAUHLCFHZUOIEC-MRXNPFEDSA-N 0 0 319.832 4.043 20 10 DICDRN COc1ccc(N(C)Cc2ccc(Cl)c(OC)c2)cc1F ZINC001167881166 1042327668 /nfs/dbraw/zinc/32/76/68/1042327668.db2.gz JEQLHVZYVDYHDH-UHFFFAOYSA-N 0 0 309.768 4.133 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC(C)(C)C2)cc1F ZINC001136729696 1042329314 /nfs/dbraw/zinc/32/93/14/1042329314.db2.gz LTDZHSPOXHCUCE-OAHLLOKOSA-N 0 0 320.452 4.114 20 10 DICDRN Cc1cscc1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000094878214 1042335194 /nfs/dbraw/zinc/33/51/94/1042335194.db2.gz YNRDNFURJZESKB-UHFFFAOYSA-N 0 0 300.471 4.337 20 10 DICDRN C[C@@H]([NH2+]C[C@H]1CCSC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000279912901 1042354388 /nfs/dbraw/zinc/35/43/88/1042354388.db2.gz HUSBRCTVVFZSCS-RKDXNWHRSA-N 0 0 306.258 4.103 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cnccc1C ZINC000729286686 1042517793 /nfs/dbraw/zinc/51/77/93/1042517793.db2.gz WDTXXNKZAAETSO-UHFFFAOYSA-N 0 0 311.410 4.111 20 10 DICDRN CN(C(=O)/C=C\c1cncc(F)c1)c1cccc2ccccc21 ZINC000729338883 1042521461 /nfs/dbraw/zinc/52/14/61/1042521461.db2.gz KFBCHVLSCMLKAI-KTKRTIGZSA-N 0 0 306.340 4.050 20 10 DICDRN CC[C@@H](CC(=O)NCc1ccc(N2CCCCC2)cc1)C(C)C ZINC000729345848 1042522381 /nfs/dbraw/zinc/52/23/81/1042522381.db2.gz ABLRZLQDIVFYID-SFHVURJKSA-N 0 0 316.489 4.365 20 10 DICDRN Cc1cccc(CNc2cccc(C)c2Br)c1O ZINC000158825195 1042531550 /nfs/dbraw/zinc/53/15/50/1042531550.db2.gz OWFHAMXASCJUTB-UHFFFAOYSA-N 0 0 306.203 4.384 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1ccc(C)cc1O ZINC000280299771 1042570006 /nfs/dbraw/zinc/57/00/06/1042570006.db2.gz ZVEWPKAMHBHVRP-SFHVURJKSA-N 0 0 313.441 4.169 20 10 DICDRN C[C@@H]1CCCCN1C(=O)c1ccc(NCc2ccccc2O)cc1 ZINC000280659998 1042577797 /nfs/dbraw/zinc/57/77/97/1042577797.db2.gz LAJAGQQCGKWZGE-OAHLLOKOSA-N 0 0 324.424 4.019 20 10 DICDRN CC(=O)Nc1ccc(N[C@H](C)c2ccc(N(C)C)cc2)cc1C ZINC000319665409 1042623662 /nfs/dbraw/zinc/62/36/62/1042623662.db2.gz CGHLXGPYZYPSTM-CQSZACIVSA-N 0 0 311.429 4.193 20 10 DICDRN CCC[C@@H](CC(C)C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001269587498 1042724729 /nfs/dbraw/zinc/72/47/29/1042724729.db2.gz ICCNYKSLEAUPLE-RDJZCZTQSA-N 0 0 304.478 4.392 20 10 DICDRN CC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)c1cc(F)ccc1F ZINC000894289736 1042734411 /nfs/dbraw/zinc/73/44/11/1042734411.db2.gz RXAMRSQAKJCYMU-INIZCTEOSA-N 0 0 321.367 4.228 20 10 DICDRN CCN(C(=O)c1cc2cc(O)c(O)cc2s1)C1CCCCC1 ZINC001141503863 1042757359 /nfs/dbraw/zinc/75/73/59/1042757359.db2.gz DZISCBCPHWCGOE-UHFFFAOYSA-N 0 0 319.426 4.107 20 10 DICDRN O=C1/C(=C/c2ccsc2)SC(=S)N1Cc1cccs1 ZINC000048402622 1042843965 /nfs/dbraw/zinc/84/39/65/1042843965.db2.gz ISBHHJIWVMQBPJ-WDZFZDKYSA-N 0 0 323.489 4.211 20 10 DICDRN CN1C(=O)/C(=C\c2cc(-c3ccccc3)cs2)SC1=S ZINC000048642738 1042929936 /nfs/dbraw/zinc/92/99/36/1042929936.db2.gz FVQJHTWRVAYXQU-MDWZMJQESA-N 0 0 317.460 4.246 20 10 DICDRN O=[N+]([O-])c1ccccc1NCc1ccc(N2CCCCC2)cc1 ZINC000319968189 1042979654 /nfs/dbraw/zinc/97/96/54/1042979654.db2.gz DPJFSNPALZSFTB-UHFFFAOYSA-N 0 0 311.385 4.197 20 10 DICDRN COc1cc(C)cc(C[NH2+]Cc2ccc(C3CC3)cc2F)c1O ZINC000894827793 1042980700 /nfs/dbraw/zinc/98/07/00/1042980700.db2.gz DTNARAUBECYWQP-UHFFFAOYSA-N 0 0 315.388 4.016 20 10 DICDRN COc1ccc(N(CCCCCn2cccn2)C(C)C)cc1F ZINC000729475655 1042990138 /nfs/dbraw/zinc/99/01/38/1042990138.db2.gz UVRNDMWCMMQYEW-UHFFFAOYSA-N 0 0 319.424 4.116 20 10 DICDRN CC[C@H](Nc1cc(OC)cc(OC)c1)c1ccc(C)cc1O ZINC000794813295 1043057317 /nfs/dbraw/zinc/05/73/17/1043057317.db2.gz OYQWLLGTXFRXBQ-KRWDZBQOSA-N 0 0 301.386 4.281 20 10 DICDRN CC[C@@H](Nc1ccn(-c2ccccc2)n1)c1ccc(C)cc1O ZINC000794812180 1043060416 /nfs/dbraw/zinc/06/04/16/1043060416.db2.gz KFCHBUDQWJLTQH-QGZVFWFLSA-N 0 0 307.397 4.450 20 10 DICDRN CC[C@H](Nc1ccn(-c2ccccc2)n1)c1ccc(C)cc1O ZINC000794812178 1043060616 /nfs/dbraw/zinc/06/06/16/1043060616.db2.gz KFCHBUDQWJLTQH-KRWDZBQOSA-N 0 0 307.397 4.450 20 10 DICDRN CC[C@H](Nc1ccc2c(c1)N(C)CCO2)c1ccc(C)cc1O ZINC000794818144 1043062009 /nfs/dbraw/zinc/06/20/09/1043062009.db2.gz QNWJZWRHPUBZLF-INIZCTEOSA-N 0 0 312.413 4.092 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1Cl)c1ccc(C)cc1O ZINC000794819484 1043063093 /nfs/dbraw/zinc/06/30/93/1043063093.db2.gz WVNURCFSSGZKFJ-SJLPKXTDSA-N 0 0 319.832 4.128 20 10 DICDRN CN(C)c1ccc(/C=C\CNc2ccccc2OC(F)F)cc1 ZINC001202769289 1043076078 /nfs/dbraw/zinc/07/60/78/1043076078.db2.gz VMZKQCNETOPBHY-WAYWQWQTSA-N 0 0 318.367 4.479 20 10 DICDRN C[C@H]([NH2+][C@H]1CCCc2ccc(F)cc21)c1ccc(F)cc1[O-] ZINC000794836643 1043082226 /nfs/dbraw/zinc/08/22/26/1043082226.db2.gz VDYFBIKCWUNOFR-GTNSWQLSSA-N 0 0 303.352 4.399 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)[C@H](C)c1cccc(F)c1 ZINC000175866724 1043089735 /nfs/dbraw/zinc/08/97/35/1043089735.db2.gz WWYUMYUSTFYTKQ-CQSZACIVSA-N 0 0 315.388 4.074 20 10 DICDRN Cc1ccc(-c2cccc(C=C3SC(=S)NC3=O)c2)cc1 ZINC000205759615 1043144362 /nfs/dbraw/zinc/14/43/62/1043144362.db2.gz OSDIDVJBVGVDSJ-GDNBJRDFSA-N 0 0 311.431 4.151 20 10 DICDRN COc1ccc(-c2cnc(CSc3nccs3)o2)cc1 ZINC000049177058 1043161213 /nfs/dbraw/zinc/16/12/13/1043161213.db2.gz JSGQKNMUZKDNSA-UHFFFAOYSA-N 0 0 304.396 4.099 20 10 DICDRN C[C@@H](Nc1cccc(OC[C@H]2CCCO2)c1)c1ccccc1O ZINC000183660254 1043168662 /nfs/dbraw/zinc/16/86/62/1043168662.db2.gz BBZILPSJJQHPQS-RHSMWYFYSA-N 0 0 313.397 4.123 20 10 DICDRN COc1ccc(N[C@@H](C)c2ccccc2O)cc1OC(C)C ZINC000183979292 1043176151 /nfs/dbraw/zinc/17/61/51/1043176151.db2.gz OGJFTESPTAHKDK-ZDUSSCGKSA-N 0 0 301.386 4.361 20 10 DICDRN COc1ccc([C@@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])C2CC2)cc1 ZINC000184910727 1043190332 /nfs/dbraw/zinc/19/03/32/1043190332.db2.gz RNQLGRZSQWYXAT-BUXKBTBVSA-N 0 0 315.388 4.342 20 10 DICDRN COc1ccc([C@H]([NH2+][C@H](C)c2ccc(F)cc2[O-])C2CC2)cc1 ZINC000184910709 1043190377 /nfs/dbraw/zinc/19/03/77/1043190377.db2.gz RNQLGRZSQWYXAT-CWTRNNRKSA-N 0 0 315.388 4.342 20 10 DICDRN COc1ccc([C@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])C2CC2)cc1 ZINC000184910689 1043190542 /nfs/dbraw/zinc/19/05/42/1043190542.db2.gz RNQLGRZSQWYXAT-HXPMCKFVSA-N 0 0 315.388 4.342 20 10 DICDRN COc1ccc([C@@H]([NH2+][C@H](C)c2ccc(F)cc2[O-])C2CC2)cc1 ZINC000184910742 1043191204 /nfs/dbraw/zinc/19/12/04/1043191204.db2.gz RNQLGRZSQWYXAT-BLVKFPJESA-N 0 0 315.388 4.342 20 10 DICDRN C[C@H]([NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000185225100 1043197488 /nfs/dbraw/zinc/19/74/88/1043197488.db2.gz PSRYECOBAOYFOI-AGRHKRQWSA-N 0 0 315.388 4.102 20 10 DICDRN C[C@@H]([NH2+]Cc1ccsc1C(F)(F)F)c1ccc(F)cc1[O-] ZINC000866406262 1043198594 /nfs/dbraw/zinc/19/85/94/1043198594.db2.gz WSBVEJWYTRFVLV-MRVPVSSYSA-N 0 0 319.323 4.462 20 10 DICDRN Cc1cccnc1[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])C(C)C ZINC000185457769 1043199878 /nfs/dbraw/zinc/19/98/78/1043199878.db2.gz DBOSYQWHTASWPQ-CXAGYDPISA-N 0 0 302.393 4.283 20 10 DICDRN CCC(CC)c1cc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])on1 ZINC000185561860 1043204449 /nfs/dbraw/zinc/20/44/49/1043204449.db2.gz NCAZOSOAVCZVHE-LLVKDONJSA-N 0 0 306.381 4.274 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])C1CCOCC1 ZINC000185783528 1043207733 /nfs/dbraw/zinc/20/77/33/1043207733.db2.gz KWPNRUWDCLFQLJ-ZJUUUORDSA-N 0 0 318.244 4.165 20 10 DICDRN C[C@@H]([NH2+]C1CCSCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185979291 1043210638 /nfs/dbraw/zinc/21/06/38/1043210638.db2.gz NGOMRDJJPXIGRU-MRVPVSSYSA-N 0 0 306.258 4.245 20 10 DICDRN COCc1cc(N[C@@H](C)c2cc(C)ccc2O)ccc1OC ZINC000866500295 1043211866 /nfs/dbraw/zinc/21/18/66/1043211866.db2.gz UMXXONBITKKANS-ZDUSSCGKSA-N 0 0 301.386 4.029 20 10 DICDRN Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1[N+](=O)[O-] ZINC000186092737 1043215237 /nfs/dbraw/zinc/21/52/37/1043215237.db2.gz PMZLRRQAKVXZQE-VXGBXAGGSA-N 0 0 318.348 4.160 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCCOc2cc(F)ccc21)c1ccc(F)cc1[O-] ZINC000186374200 1043223120 /nfs/dbraw/zinc/22/31/20/1043223120.db2.gz CZZWDHJGFOOPLF-MEDUHNTESA-N 0 0 319.351 4.235 20 10 DICDRN C[C@@H]([NH2+][C@H]1CCCOc2cc(F)ccc21)c1ccc(F)cc1[O-] ZINC000186374249 1043223655 /nfs/dbraw/zinc/22/36/55/1043223655.db2.gz CZZWDHJGFOOPLF-BZNIZROVSA-N 0 0 319.351 4.235 20 10 DICDRN CCOc1ccc(N[C@@H](C)c2cc(Cl)ccc2O)cc1CO ZINC000186421942 1043225469 /nfs/dbraw/zinc/22/54/69/1043225469.db2.gz PHLDXUNPBJCKSZ-NSHDSACASA-N 0 0 321.804 4.110 20 10 DICDRN CC[C@H]([NH2+][C@H](CF)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000866596376 1043228544 /nfs/dbraw/zinc/22/85/44/1043228544.db2.gz FSJWQGQTWLOJBP-JKSUJKDBSA-N 0 0 309.331 4.422 20 10 DICDRN CN(Cc1ccccc1O)C(=O)c1cc2c(cccc2C2CC2)[nH]1 ZINC000866596563 1043229305 /nfs/dbraw/zinc/22/93/05/1043229305.db2.gz HIJUISDJLCSEQI-UHFFFAOYSA-N 0 0 320.392 4.023 20 10 DICDRN COc1ccc(O)c(CNc2cc(C(F)(F)F)ccc2C)c1 ZINC000237206568 1043241890 /nfs/dbraw/zinc/24/18/90/1043241890.db2.gz JKHVOEXNWALMIQ-UHFFFAOYSA-N 0 0 311.303 4.340 20 10 DICDRN Cc1ccc(C[NH+](C)C)cc1N[C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187905768 1043252976 /nfs/dbraw/zinc/25/29/76/1043252976.db2.gz OQQUYEXKQHNPOM-LBPRGKRZSA-N 0 0 320.383 4.214 20 10 DICDRN CC(=O)Nc1ccccc1CN(C)c1ccc(OC(C)C)cc1 ZINC000192036932 1043265356 /nfs/dbraw/zinc/26/53/56/1043265356.db2.gz VXHVFNZRWAPGEQ-UHFFFAOYSA-N 0 0 312.413 4.069 20 10 DICDRN Cc1cc([C@@H](C)NC(=O)N[C@H](C)c2ccccc2O)c(C)s1 ZINC000868038279 1043271304 /nfs/dbraw/zinc/27/13/04/1043271304.db2.gz OYEDTMRMSUKYCZ-VXGBXAGGSA-N 0 0 318.442 4.192 20 10 DICDRN Cc1csc(C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])n1 ZINC000192639927 1043273558 /nfs/dbraw/zinc/27/35/58/1043273558.db2.gz GDNAGHZNRIPPCJ-QMMMGPOBSA-N 0 0 317.241 4.315 20 10 DICDRN Cc1c(N[C@H](C)c2ccc(F)cc2O)cnn1C1CCCC1 ZINC000193389704 1043285163 /nfs/dbraw/zinc/28/51/63/1043285163.db2.gz QAERWJNKWBEQNL-LLVKDONJSA-N 0 0 303.381 4.324 20 10 DICDRN COc1cc(N[C@H]2CCc3cccc(O)c32)c(OC)cc1Cl ZINC000320102489 1043286271 /nfs/dbraw/zinc/28/62/71/1043286271.db2.gz MDHWHVKOHMNEEW-LBPRGKRZSA-N 0 0 319.788 4.162 20 10 DICDRN CC[C@H](Nc1cnn(CC(C)C)c1)c1ccc(N(C)C)cc1 ZINC000777276395 1043297384 /nfs/dbraw/zinc/29/73/84/1043297384.db2.gz SRWKSWONGRDAND-SFHVURJKSA-N 0 0 300.450 4.168 20 10 DICDRN Cc1cnc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)s1 ZINC000122841203 1043333451 /nfs/dbraw/zinc/33/34/51/1043333451.db2.gz JSKAMJLRLKEAGZ-OAHLLOKOSA-N 0 0 315.486 4.293 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)COc1ccccc1)c1ccc(F)cc1[O-] ZINC000796727240 1043365128 /nfs/dbraw/zinc/36/51/28/1043365128.db2.gz SBXSEHWORYYSFG-GUYCJALGSA-N 0 0 303.377 4.040 20 10 DICDRN Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)N1Cc2cccc(O)c2C1 ZINC000871203652 1043366880 /nfs/dbraw/zinc/36/68/80/1043366880.db2.gz DLGSQSMQCQOYQV-GOEBONIOSA-N 0 0 321.420 4.224 20 10 DICDRN CC(C)[C@@](C)(Cc1ccccc1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871207927 1043368516 /nfs/dbraw/zinc/36/85/16/1043368516.db2.gz UWAOBCLXEUCJQM-OAQYLSRUSA-N 0 0 323.436 4.139 20 10 DICDRN CCc1ccccc1NC(=O)CNc1ccccc1NC(C)C ZINC000871847583 1043405628 /nfs/dbraw/zinc/40/56/28/1043405628.db2.gz VHGFYWFCQRAGAF-UHFFFAOYSA-N 0 0 311.429 4.120 20 10 DICDRN C[C@@H](NCc1ccc(N2CCC(C)CC2)cc1)c1cscn1 ZINC000271179803 1043408213 /nfs/dbraw/zinc/40/82/13/1043408213.db2.gz VNZWHROZFRDSKF-OAHLLOKOSA-N 0 0 315.486 4.230 20 10 DICDRN CCCOc1ccc(C[NH2+][C@@H](CC(=O)[O-])CC(C)(C)C)cc1C ZINC000871878456 1043412766 /nfs/dbraw/zinc/41/27/66/1043412766.db2.gz LRNAAPRTRJNVJC-INIZCTEOSA-N 0 0 321.461 4.153 20 10 DICDRN Cc1ccc(C(=O)NCC2CC2)cc1N[C@H](C)c1ccccc1O ZINC000187322408 1043435606 /nfs/dbraw/zinc/43/56/06/1043435606.db2.gz RQFFXENGELJGMG-CQSZACIVSA-N 0 0 324.424 4.014 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)[C@H](CC)CC(F)(F)F ZINC000825679247 1043542162 /nfs/dbraw/zinc/54/21/62/1043542162.db2.gz OOKNIJYOMUCHLM-GFCCVEGCSA-N 0 0 317.351 4.109 20 10 DICDRN Oc1c(F)cc(F)cc1CNc1cc(F)cc(OC(F)F)c1 ZINC001203441201 1043550628 /nfs/dbraw/zinc/55/06/28/1043550628.db2.gz XSYRVXQXQZMGOD-UHFFFAOYSA-N 0 0 319.229 4.023 20 10 DICDRN Cc1cc(O)c(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)cc1Cl ZINC000825710431 1043567076 /nfs/dbraw/zinc/56/70/76/1043567076.db2.gz POCIVSVNXRABBI-SNVBAGLBSA-N 0 0 307.743 4.128 20 10 DICDRN Nc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000020327095 1043576491 /nfs/dbraw/zinc/57/64/91/1043576491.db2.gz LIOBDUPTCKRDJE-UHFFFAOYSA-N 0 0 302.377 4.039 20 10 DICDRN CC[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)c1ccccc1F ZINC000875701668 1043635273 /nfs/dbraw/zinc/63/52/73/1043635273.db2.gz BBICIKMVNPLNKM-BLLLJJGKSA-N 0 0 316.376 4.043 20 10 DICDRN COC/C(C)=C\CN(Cc1ccccc1)c1ccc(OC)cc1 ZINC001168024870 1043651698 /nfs/dbraw/zinc/65/16/98/1043651698.db2.gz FISBZYSLIAALHC-LGMDPLHJSA-N 0 0 311.425 4.295 20 10 DICDRN COc1cc(C)cc(CNc2ccc(F)c(C(F)F)c2)c1O ZINC000895454563 1043688716 /nfs/dbraw/zinc/68/87/16/1043688716.db2.gz LXVHIFXLAAHZSU-UHFFFAOYSA-N 0 0 311.303 4.398 20 10 DICDRN COc1ccc(O)c([C@@H](C)Nc2cc(Cl)ccc2OC)c1 ZINC000021817643 1043708456 /nfs/dbraw/zinc/70/84/56/1043708456.db2.gz RRRNKTRWFGFMMH-SNVBAGLBSA-N 0 0 307.777 4.236 20 10 DICDRN CCCc1ccc(NCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000876819592 1043713393 /nfs/dbraw/zinc/71/33/93/1043713393.db2.gz DJSKGSOTNCGWDA-UHFFFAOYSA-N 0 0 324.468 4.212 20 10 DICDRN CN(C(=O)C1(c2cccc(Cl)c2)CCC1)c1ccc(N)cc1 ZINC000877079877 1043741586 /nfs/dbraw/zinc/74/15/86/1043741586.db2.gz ABSHZSLXVPBCDO-UHFFFAOYSA-N 0 0 314.816 4.007 20 10 DICDRN Cc1cccc(C(=O)Nc2cccc(N3CCCCC3)c2)c1F ZINC000126429414 1043754145 /nfs/dbraw/zinc/75/41/45/1043754145.db2.gz QAKWCSXZIAISNM-UHFFFAOYSA-N 0 0 312.388 4.377 20 10 DICDRN COc1ccc(NCc2ccc(C)cc2O)cc1OC(C)C ZINC000877352067 1043759005 /nfs/dbraw/zinc/75/90/05/1043759005.db2.gz AIWUPEIOHJPMFI-UHFFFAOYSA-N 0 0 301.386 4.109 20 10 DICDRN CCOc1cc(F)ccc1NCc1cc(Cl)cc(F)c1O ZINC001308336269 1043791604 /nfs/dbraw/zinc/79/16/04/1043791604.db2.gz BYEOLKKDGUNUQN-UHFFFAOYSA-N 0 0 313.731 4.335 20 10 DICDRN CN(C)c1ccc(CN(C)C(=O)c2ccsc2C(F)F)cc1 ZINC000929533821 1043826070 /nfs/dbraw/zinc/82/60/70/1043826070.db2.gz WIRPEWNGPVKXSK-UHFFFAOYSA-N 0 0 324.396 4.024 20 10 DICDRN Cc1c(CN2CC(F)(F)C[C@@]2(C)CF)c2ccccc2n1C ZINC001138252443 1043831035 /nfs/dbraw/zinc/83/10/35/1043831035.db2.gz HMRYSRHZPGYHOV-INIZCTEOSA-N 0 0 310.363 4.056 20 10 DICDRN COC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1cccc(Cl)c1 ZINC000290167679 1043924211 /nfs/dbraw/zinc/92/42/11/1043924211.db2.gz DNSFQHBBVDVOPN-MEDUHNTESA-N 0 0 323.795 4.223 20 10 DICDRN COC[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1cccc(Cl)c1 ZINC000290167677 1043924436 /nfs/dbraw/zinc/92/44/36/1043924436.db2.gz DNSFQHBBVDVOPN-BZNIZROVSA-N 0 0 323.795 4.223 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCC1(C)CCC1 ZINC001137142756 1043951297 /nfs/dbraw/zinc/95/12/97/1043951297.db2.gz PPRAYFYKADUNRO-UHFFFAOYSA-N 0 0 310.441 4.323 20 10 DICDRN CC(C)(C)Nc1ccccc1NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000281230653 1044108447 /nfs/dbraw/zinc/10/84/47/1044108447.db2.gz DRVPANPIGVNBJJ-UHFFFAOYSA-N 0 0 315.373 4.123 20 10 DICDRN Cc1cc(CC(=O)N2[C@H](C)CCC[C@@H]2C)c(C)n1-c1ccccc1 ZINC001126571720 1044109116 /nfs/dbraw/zinc/10/91/16/1044109116.db2.gz HQQFPXQIOFMWPM-IYBDPMFKSA-N 0 0 324.468 4.426 20 10 DICDRN Cc1cc(O)c(CNc2cnn(CC(C)C)c2C(F)F)cc1C ZINC000778110947 1044154110 /nfs/dbraw/zinc/15/41/10/1044154110.db2.gz PBMQVLUQUAPSDD-UHFFFAOYSA-N 0 0 323.387 4.411 20 10 DICDRN Cc1cc(C)cc(NC(=O)NCCCSc2nccs2)c1 ZINC000129866418 1044186249 /nfs/dbraw/zinc/18/62/49/1044186249.db2.gz NGMQCUIPKNXVSQ-UHFFFAOYSA-N 0 0 321.471 4.064 20 10 DICDRN Cn1c(/C(Cl)=C/c2cncs2)nc2cc(Cl)ccc21 ZINC000130061619 1044192477 /nfs/dbraw/zinc/19/24/77/1044192477.db2.gz IBOYWOAZOJFSME-YHYXMXQVSA-N 0 0 310.209 4.420 20 10 DICDRN CCc1ccc([C@@H](C)CC(=O)N(C)Cc2ccccc2O)cc1 ZINC000130523796 1044205831 /nfs/dbraw/zinc/20/58/31/1044205831.db2.gz QPEFAKYPIKNDEF-HNNXBMFYSA-N 0 0 311.425 4.107 20 10 DICDRN CSc1ccccc1[C@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883111339 1044222510 /nfs/dbraw/zinc/22/25/10/1044222510.db2.gz AGWFMGKFTTVSOC-JTQLQIEISA-N 0 0 309.381 4.243 20 10 DICDRN O=C1NC(=S)S/C1=C\c1ccc(-c2cccc(F)c2)s1 ZINC000131059076 1044223779 /nfs/dbraw/zinc/22/37/79/1044223779.db2.gz QXICURIBJIFOLX-GHXNOFRVSA-N 0 0 321.423 4.043 20 10 DICDRN CCc1nc([C@H](C)[NH2+]Cc2cc(Cl)c(F)cc2[O-])cs1 ZINC000293522278 1044293709 /nfs/dbraw/zinc/29/37/09/1044293709.db2.gz DCPTVBOHHSSFPI-QMMMGPOBSA-N 0 0 314.813 4.054 20 10 DICDRN CC(=O)N(c1ccc(NCc2cc(C)ccc2O)cc1)[C@H]1C[C@@H]1C ZINC000293550710 1044299455 /nfs/dbraw/zinc/29/94/55/1044299455.db2.gz ZADFZJWGMRNVFO-LIRRHRJNSA-N 0 0 324.424 4.074 20 10 DICDRN CCCNC(=O)c1cccc(N[C@@H](C)c2cc(C)ccc2O)c1 ZINC000192716277 1044303917 /nfs/dbraw/zinc/30/39/17/1044303917.db2.gz HRZKTYXTXFKDQJ-AWEZNQCLSA-N 0 0 312.413 4.014 20 10 DICDRN Cc1ccc(O)c([C@H](C)Nc2cccc(N3CCCC3=O)c2)c1 ZINC000192744673 1044305843 /nfs/dbraw/zinc/30/58/43/1044305843.db2.gz MKQIDKIVYPRPGP-AWEZNQCLSA-N 0 0 310.397 4.001 20 10 DICDRN Cc1ccoc1C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000293720476 1044318823 /nfs/dbraw/zinc/31/88/23/1044318823.db2.gz POHNGPJLXQUWCB-SECBINFHSA-N 0 0 300.185 4.451 20 10 DICDRN C[C@H](NC(=O)c1ccsc1C(F)F)c1ccc(N(C)C)cc1 ZINC000935465827 1044334929 /nfs/dbraw/zinc/33/49/29/1044334929.db2.gz UDGVUWJDQYYBBM-JTQLQIEISA-N 0 0 324.396 4.243 20 10 DICDRN CC(F)(F)c1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000293859746 1044340935 /nfs/dbraw/zinc/34/09/35/1044340935.db2.gz IHGPPULRIBKGFX-UHFFFAOYSA-N 0 0 311.759 4.447 20 10 DICDRN CCCc1nc(C)c(C[NH2+][C@H](CC)c2ccc(F)cc2[O-])o1 ZINC000293903730 1044349425 /nfs/dbraw/zinc/34/94/25/1044349425.db2.gz ZSXUPRRKAJCBCJ-CQSZACIVSA-N 0 0 306.381 4.021 20 10 DICDRN CN(C)c1ccc(C[NH2+]Cc2cc(C3CC3)ccc2F)cc1F ZINC001202560666 1044351075 /nfs/dbraw/zinc/35/10/75/1044351075.db2.gz LAUQZOMCAVPPDZ-UHFFFAOYSA-N 0 0 316.395 4.198 20 10 DICDRN C[C@@H]([NH2+][C@H]1CS[C@H](C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000840859086 1044394334 /nfs/dbraw/zinc/39/43/34/1044394334.db2.gz HBNFACNWVBQLQO-IWSPIJDZSA-N 0 0 306.258 4.244 20 10 DICDRN CC(C)=CC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000800046835 1044408253 /nfs/dbraw/zinc/40/82/53/1044408253.db2.gz CXWJTOHLIZRRGH-AWEZNQCLSA-N 0 0 320.864 4.159 20 10 DICDRN C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000840873359 1044408626 /nfs/dbraw/zinc/40/86/26/1044408626.db2.gz TXRXKQLWWLWRJY-GWOFURMSSA-N 0 0 318.244 4.163 20 10 DICDRN CC(=O)Nc1cc(N[C@H](C)c2ccc(N(C)C)cc2)ccc1C ZINC000193014781 1044409549 /nfs/dbraw/zinc/40/95/49/1044409549.db2.gz OCUYKXSDPXSTGG-CQSZACIVSA-N 0 0 311.429 4.193 20 10 DICDRN CC[C@H](C(=O)N(CC)Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000302811897 1044445370 /nfs/dbraw/zinc/44/53/70/1044445370.db2.gz OVMGWMSDFPPQOJ-FQEVSTJZSA-N 0 0 324.468 4.295 20 10 DICDRN COC1([C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])CCC1 ZINC000840882905 1044457337 /nfs/dbraw/zinc/45/73/37/1044457337.db2.gz BYCJSOIAYMKGMJ-VHSXEESVSA-N 0 0 318.244 4.307 20 10 DICDRN CCCCN(Cc1nnc(C(C)C)s1)Cc1ccccc1O ZINC000294887197 1044468760 /nfs/dbraw/zinc/46/87/60/1044468760.db2.gz AREOPUDLHNBCOL-UHFFFAOYSA-N 0 0 319.474 4.169 20 10 DICDRN O=C(N[C@H](CC1CCC1)c1ccccc1)C1=CC(=O)CS1 ZINC000778519146 1044474875 /nfs/dbraw/zinc/47/48/75/1044474875.db2.gz SVDMAWDAZISEPG-OAHLLOKOSA-N 0 0 301.411 4.115 20 10 DICDRN CCc1ccc(CCN(CC)c2ccc(OC)c(OC)c2)cc1 ZINC001168069594 1044485702 /nfs/dbraw/zinc/48/57/02/1044485702.db2.gz ZGCAGPFLQTWQJB-UHFFFAOYSA-N 0 0 313.441 4.335 20 10 DICDRN COc1ccc(CN[C@H](c2ccco2)c2ccccc2)cc1C ZINC000237311737 1044515392 /nfs/dbraw/zinc/51/53/92/1044515392.db2.gz MMXAVDBRZJJCBK-FQEVSTJZSA-N 0 0 307.393 4.476 20 10 DICDRN C/C(=C\c1ccc(C)cc1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000778555870 1044524165 /nfs/dbraw/zinc/52/41/65/1044524165.db2.gz CRKYVJIDRUZYHE-SAPNQHFASA-N 0 0 322.452 4.123 20 10 DICDRN CC[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000134907315 1044533705 /nfs/dbraw/zinc/53/37/05/1044533705.db2.gz MUYAEASGFILXFP-SFYZADRCSA-N 0 0 306.631 4.257 20 10 DICDRN CCCC[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000134903027 1044534239 /nfs/dbraw/zinc/53/42/39/1044534239.db2.gz GKCXAGSDAAKARR-MRVPVSSYSA-N 0 0 306.631 4.259 20 10 DICDRN Fc1ccc(CSc2nccs2)cc1Br ZINC000042374128 1044591460 /nfs/dbraw/zinc/59/14/60/1044591460.db2.gz MMPPLHFXQCKOKO-UHFFFAOYSA-N 0 0 304.209 4.337 20 10 DICDRN CC(C)Sc1ccccc1C(=O)N(C)Cc1ccccc1O ZINC000136949961 1044613471 /nfs/dbraw/zinc/61/34/71/1044613471.db2.gz XVAWSVKWAXERTD-UHFFFAOYSA-N 0 0 315.438 4.165 20 10 DICDRN Cc1cc(CN[C@@H](C)c2ncco2)c(C)n1-c1cccc(C)c1 ZINC000886276102 1044628491 /nfs/dbraw/zinc/62/84/91/1044628491.db2.gz WTUVXGLDVCQOCF-HNNXBMFYSA-N 0 0 309.413 4.241 20 10 DICDRN Cc1cnc(F)cc1Nc1ccc(Cc2ccc(N)cc2)cc1 ZINC001212852042 1044638952 /nfs/dbraw/zinc/63/89/52/1044638952.db2.gz WHBAFZWFGADKKB-UHFFFAOYSA-N 0 0 307.372 4.446 20 10 DICDRN COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886493422 1044645867 /nfs/dbraw/zinc/64/58/67/1044645867.db2.gz KJNMGCHAJPNCIN-STQMWFEESA-N 0 0 303.377 4.260 20 10 DICDRN COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886506150 1044649817 /nfs/dbraw/zinc/64/98/17/1044649817.db2.gz DSVGGCPPWDSVTF-WDEREUQCSA-N 0 0 307.340 4.091 20 10 DICDRN C[C@H]([NH2+][C@H]1CCOc2c(Cl)cccc21)c1c([O-])cccc1F ZINC000886513948 1044652959 /nfs/dbraw/zinc/65/29/59/1044652959.db2.gz ARTGNIKUUDPTGL-HZMBPMFUSA-N 0 0 321.779 4.359 20 10 DICDRN Cc1cccnc1[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)C(C)C ZINC000886528001 1044654242 /nfs/dbraw/zinc/65/42/42/1044654242.db2.gz DXATZIQZICVCPQ-GUYCJALGSA-N 0 0 302.393 4.283 20 10 DICDRN CC(C)COC[C@@H](N[C@@H](C)c1c(O)cccc1F)c1ccco1 ZINC000886521179 1044654859 /nfs/dbraw/zinc/65/48/59/1044654859.db2.gz WEMMBALBRIUDIR-DZGCQCFKSA-N 0 0 321.392 4.189 20 10 DICDRN C[C@@H](NCc1nc(C(C)(C)C)cs1)c1c(O)cccc1F ZINC000886524298 1044655130 /nfs/dbraw/zinc/65/51/30/1044655130.db2.gz HXJRELZXGHJRBW-SNVBAGLBSA-N 0 0 308.422 4.136 20 10 DICDRN C[C@H]([NH2+][C@H]1CCCOc2ccccc21)c1c([O-])cccc1F ZINC000886520373 1044655276 /nfs/dbraw/zinc/65/52/76/1044655276.db2.gz CNNGYJHKYVVFKG-WFASDCNBSA-N 0 0 301.361 4.096 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCCOc2ccccc21)c1c([O-])cccc1F ZINC000886520371 1044655353 /nfs/dbraw/zinc/65/53/53/1044655353.db2.gz CNNGYJHKYVVFKG-IUODEOHRSA-N 0 0 301.361 4.096 20 10 DICDRN CC(C)[C@@H](C[NH2+][C@H](C)c1c([O-])cccc1F)c1cccnc1 ZINC000886536740 1044656779 /nfs/dbraw/zinc/65/67/79/1044656779.db2.gz NWCXOSOZIDEIMC-UKRRQHHQSA-N 0 0 302.393 4.017 20 10 DICDRN C[C@H]([NH2+][C@H]1CCCOc2cc(F)ccc21)c1c([O-])cccc1F ZINC000886580211 1044663271 /nfs/dbraw/zinc/66/32/71/1044663271.db2.gz AAPDRUVWIGKRHH-NHYWBVRUSA-N 0 0 319.351 4.235 20 10 DICDRN Cc1nc2c(s1)[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)CCC2 ZINC000886588266 1044665544 /nfs/dbraw/zinc/66/55/44/1044665544.db2.gz OAAAVEIJIGHZKQ-JOYOIKCWSA-N 0 0 306.406 4.024 20 10 DICDRN COC[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1cccc(Cl)c1 ZINC000886610639 1044667941 /nfs/dbraw/zinc/66/79/41/1044667941.db2.gz GKQXOTYMOFPGSW-XHDPSFHLSA-N 0 0 323.795 4.223 20 10 DICDRN C[C@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)c1c([O-])cccc1F ZINC000886616966 1044670184 /nfs/dbraw/zinc/67/01/84/1044670184.db2.gz AAFUEYBYXNZCKU-TYNCELHUSA-N 0 0 301.361 4.094 20 10 DICDRN COc1ccc(N[C@@H](C)c2c(O)cccc2F)cc1SC ZINC000886623731 1044670408 /nfs/dbraw/zinc/67/04/08/1044670408.db2.gz MNNNDPSJDBCWTE-JTQLQIEISA-N 0 0 307.390 4.435 20 10 DICDRN Cc1ccc(O)c([C@H](C)Nc2cccc([C@@H]3CCCC(=O)N3)c2)c1 ZINC000886806676 1044704563 /nfs/dbraw/zinc/70/45/63/1044704563.db2.gz XLMUAAHAUKHSHO-KSSFIOAISA-N 0 0 324.424 4.215 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000037565533 1044790483 /nfs/dbraw/zinc/79/04/83/1044790483.db2.gz XYZHJNBPGCPEQP-NSHDSACASA-N 0 0 308.208 4.129 20 10 DICDRN O=C(Nc1cccc(N2CCCC2)c1)c1cccc(C(F)F)c1 ZINC000264217638 1044859431 /nfs/dbraw/zinc/85/94/31/1044859431.db2.gz WPYSCUIVXSECDG-UHFFFAOYSA-N 0 0 316.351 4.477 20 10 DICDRN CN(Cc1cccc(F)c1O)Cc1c(Cl)cccc1Cl ZINC001138127611 1044875775 /nfs/dbraw/zinc/87/57/75/1044875775.db2.gz HNTMCIKKIRXKNQ-UHFFFAOYSA-N 0 0 314.187 4.470 20 10 DICDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@H](Sc2ccc(F)cc2)C1 ZINC001138129712 1044891793 /nfs/dbraw/zinc/89/17/93/1044891793.db2.gz SBXPTPAYRWHBBT-HNNXBMFYSA-N 0 0 321.392 4.037 20 10 DICDRN CCCNC(=O)c1cccc(N[C@H](CC)c2ccccc2O)c1 ZINC000192715286 1044989603 /nfs/dbraw/zinc/98/96/03/1044989603.db2.gz YUCDTSVJARYEHT-QGZVFWFLSA-N 0 0 312.413 4.095 20 10 DICDRN Oc1ccccc1C[N@H+](Cc1cc(F)ccc1O)C1CCCC1 ZINC000779011754 1045125263 /nfs/dbraw/zinc/12/52/63/1045125263.db2.gz CIOYAMUFVMFJBV-UHFFFAOYSA-N 0 0 315.388 4.182 20 10 DICDRN CCSCc1ccnc(NCc2c(O)cccc2Cl)c1 ZINC000777520222 1045166055 /nfs/dbraw/zinc/16/60/55/1045166055.db2.gz NBRIYCDBJIXMCS-UHFFFAOYSA-N 0 0 308.834 4.306 20 10 DICDRN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)c2ccc[nH]2)c1O ZINC000779041720 1045195645 /nfs/dbraw/zinc/19/56/45/1045195645.db2.gz UKYULBRRECTRCR-WDEREUQCSA-N 0 0 323.234 4.203 20 10 DICDRN C[C@H](NCc1ccc(N(C)C2CCCCC2)cc1)c1ncco1 ZINC000924853370 1045202599 /nfs/dbraw/zinc/20/25/99/1045202599.db2.gz JRZHJCRYRBOPJT-HNNXBMFYSA-N 0 0 313.445 4.294 20 10 DICDRN C[C@@H](NCc1ccc(N(C)C2CCCCC2)cc1)c1ncco1 ZINC000924853373 1045202881 /nfs/dbraw/zinc/20/28/81/1045202881.db2.gz JRZHJCRYRBOPJT-OAHLLOKOSA-N 0 0 313.445 4.294 20 10 DICDRN C[C@H](Nc1cnn([C@@H](C)C2CC2)c1)c1cc(F)cc(F)c1O ZINC000779058660 1045224858 /nfs/dbraw/zinc/22/48/58/1045224858.db2.gz GQTBSWVOISBRSE-UWVGGRQHSA-N 0 0 307.344 4.011 20 10 DICDRN CCOc1ccc(-c2nc(CSc3nccs3)co2)cc1 ZINC000159646572 1045237219 /nfs/dbraw/zinc/23/72/19/1045237219.db2.gz DJNVCDYMKMTADF-UHFFFAOYSA-N 0 0 318.423 4.489 20 10 DICDRN CCSc1cc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])ccn1 ZINC000779076100 1045250909 /nfs/dbraw/zinc/25/09/09/1045250909.db2.gz BGDALHRUPWXPJK-JTQLQIEISA-N 0 0 324.396 4.028 20 10 DICDRN Cc1ccc([C@@H](C)[NH2+]Cc2cccc(Br)c2[O-])cc1 ZINC000048797365 1045275786 /nfs/dbraw/zinc/27/57/86/1045275786.db2.gz MSWIJUJAQQFTNC-GFCCVEGCSA-N 0 0 320.230 4.314 20 10 DICDRN O=C(C1=CCCCC1)N(Cc1ccco1)Cc1ccccc1O ZINC000188396887 1045336318 /nfs/dbraw/zinc/33/63/18/1045336318.db2.gz HMBLFTWAYDYFSQ-UHFFFAOYSA-N 0 0 311.381 4.014 20 10 DICDRN CCOc1ccc(C[N@H+](CC)[C@@H](C)Cc2ccsc2)c(O)c1 ZINC000779215713 1045372504 /nfs/dbraw/zinc/37/25/04/1045372504.db2.gz OJISZBDESNLIEC-AWEZNQCLSA-N 0 0 319.470 4.306 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCCC12CC2 ZINC000529306894 1045469177 /nfs/dbraw/zinc/46/91/77/1045469177.db2.gz VDODXTMAIOPSTJ-MRXNPFEDSA-N 0 0 301.430 4.101 20 10 DICDRN CSc1ccccc1C(=O)N1CCSC2(CCCCC2)C1 ZINC000750856811 1045563570 /nfs/dbraw/zinc/56/35/70/1045563570.db2.gz LPOPITSNYLAPGI-UHFFFAOYSA-N 0 0 321.511 4.300 20 10 DICDRN C/C=C(\C)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000751193712 1045588759 /nfs/dbraw/zinc/58/87/59/1045588759.db2.gz QRKKYVPWXIXKFC-SYZQJQIISA-N 0 0 300.446 4.038 20 10 DICDRN CC[C@@](C)(NCc1cc(Cl)cc(C(C)=O)c1O)C(F)(F)F ZINC000751476271 1045607505 /nfs/dbraw/zinc/60/75/05/1045607505.db2.gz WKSPGJHCAYQCEA-CYBMUJFWSA-N 0 0 323.742 4.069 20 10 DICDRN C[C@@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1ccc(F)cc1[O-] ZINC000800496384 1045633268 /nfs/dbraw/zinc/63/32/68/1045633268.db2.gz UZTITROTAUJHFZ-MEBBXXQBSA-N 0 0 305.780 4.003 20 10 DICDRN C[C@@H]([NH2+]CCc1cccc2[nH]ccc21)c1cc(F)cc(F)c1[O-] ZINC000800500988 1045635883 /nfs/dbraw/zinc/63/58/83/1045635883.db2.gz ILFBEWFDTYHSDG-LLVKDONJSA-N 0 0 316.351 4.045 20 10 DICDRN CCCC[C@@H](C)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000800515321 1045637084 /nfs/dbraw/zinc/63/70/84/1045637084.db2.gz WZKCEQLZQHIWNN-OAHLLOKOSA-N 0 0 315.413 4.340 20 10 DICDRN Cc1cc(CC(=O)Nc2ccccc2)c(C)n1-c1ccccc1 ZINC001124289054 1045641985 /nfs/dbraw/zinc/64/19/85/1045641985.db2.gz WKNZPPSNWIUFBL-UHFFFAOYSA-N 0 0 304.393 4.275 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)NC1CCCCC1 ZINC000800802176 1045650805 /nfs/dbraw/zinc/65/08/05/1045650805.db2.gz CZUMVBXDBXFEFF-UHFFFAOYSA-N 0 0 304.434 4.037 20 10 DICDRN CC[C@H](C)CCCCC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000752595461 1045692864 /nfs/dbraw/zinc/69/28/64/1045692864.db2.gz FYUCZFMPNMLBBZ-UONOGXRCSA-N 0 0 307.434 4.185 20 10 DICDRN CO[C@H](c1ccccc1F)[C@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000779432614 1045717860 /nfs/dbraw/zinc/71/78/60/1045717860.db2.gz XEKNXUHZKCRHIT-GTNSWQLSSA-N 0 0 323.795 4.051 20 10 DICDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccoc1C1CC1 ZINC001124549931 1045720476 /nfs/dbraw/zinc/72/04/76/1045720476.db2.gz SOOBTZRFZIKFIQ-UHFFFAOYSA-N 0 0 324.424 4.029 20 10 DICDRN CC1CC(NC(=O)N(Cc2ccccc2O)C2CCCCC2)C1 ZINC000753018017 1045721808 /nfs/dbraw/zinc/72/18/08/1045721808.db2.gz BPQFSRMWCTXILD-UHFFFAOYSA-N 0 0 316.445 4.035 20 10 DICDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCCC1(C)C ZINC001124623654 1045735333 /nfs/dbraw/zinc/73/53/33/1045735333.db2.gz VYDMMFPOELJECP-GOSISDBHSA-N 0 0 314.473 4.072 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@H](C)C1 ZINC000801545892 1045735386 /nfs/dbraw/zinc/73/53/86/1045735386.db2.gz FTQJQRVCWBXGQA-HOTGVXAUSA-N 0 0 303.446 4.347 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(SC)o1 ZINC000801545396 1045735432 /nfs/dbraw/zinc/73/54/32/1045735432.db2.gz OAPOZLJUQSEPCX-UHFFFAOYSA-N 0 0 319.426 4.150 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(C)c(C)o1 ZINC000801545205 1045735955 /nfs/dbraw/zinc/73/59/55/1045735955.db2.gz JXMQPKADHQHHTE-UHFFFAOYSA-N 0 0 301.386 4.045 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CC12CCCC2 ZINC000801546817 1045736185 /nfs/dbraw/zinc/73/61/85/1045736185.db2.gz ZLLJJFGIUGJPHZ-INIZCTEOSA-N 0 0 301.430 4.101 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)CC[C@H](C)SC ZINC000801548140 1045736341 /nfs/dbraw/zinc/73/63/41/1045736341.db2.gz OIYFEXZQAJSEBQ-AWEZNQCLSA-N 0 0 309.475 4.053 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc2cc[nH]c2c1 ZINC000801549936 1045736696 /nfs/dbraw/zinc/73/66/96/1045736696.db2.gz HRQMWABZDOCGOT-UHFFFAOYSA-N 0 0 322.408 4.316 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)C=C1CCCCC1 ZINC000801549584 1045736783 /nfs/dbraw/zinc/73/67/83/1045736783.db2.gz ROBCWNBKEXPUAT-UHFFFAOYSA-N 0 0 301.430 4.411 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](F)c1ccccc1 ZINC000801549017 1045736875 /nfs/dbraw/zinc/73/68/75/1045736875.db2.gz AZTVFWFLFMJYKI-GOSISDBHSA-N 0 0 315.388 4.232 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCC[C@@H]1C ZINC000801549958 1045737972 /nfs/dbraw/zinc/73/79/72/1045737972.db2.gz JAPCHIHOCWQWAB-HOTGVXAUSA-N 0 0 303.446 4.347 20 10 DICDRN O=C(Nc1ccc(CCC(F)(F)F)cc1)C1=CC(=O)CS1 ZINC000753339521 1045748636 /nfs/dbraw/zinc/74/86/36/1045748636.db2.gz UUTRWRHYBFVAND-UHFFFAOYSA-N 0 0 315.316 4.201 20 10 DICDRN FC(F)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000078674576 1045752355 /nfs/dbraw/zinc/75/23/55/1045752355.db2.gz SWVQRAQUHDKRFD-ZDUSSCGKSA-N 0 0 324.396 4.086 20 10 DICDRN Cn1c2ccc(Cl)cc2nc1Sc1ncc(Cl)s1 ZINC001642091526 1045752537 /nfs/dbraw/zinc/75/25/37/1045752537.db2.gz AAMGDRLVGHKFPW-UHFFFAOYSA-N 0 0 316.238 4.488 20 10 DICDRN Cc1cc(O)c([C@@H]2Nc3c4ccccc4sc3C(=O)N2)cc1C ZINC000078764801 1045768424 /nfs/dbraw/zinc/76/84/24/1045768424.db2.gz AZXYIQUCPZUQDP-QGZVFWFLSA-N 0 0 324.405 4.078 20 10 DICDRN C[C@H]1CC/C(=C\C(=O)NCc2ccc(N3CCCCC3)cc2)C1 ZINC000753594477 1045771860 /nfs/dbraw/zinc/77/18/60/1045771860.db2.gz CWYBXLWOHLNEJU-KXGFGANYSA-N 0 0 312.457 4.040 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(F)c(C)c1 ZINC000078801495 1045774225 /nfs/dbraw/zinc/77/42/25/1045774225.db2.gz PVNDLOBHMKZEOI-UHFFFAOYSA-N 0 0 316.376 4.284 20 10 DICDRN CC[C@H](C)[C@@H](C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000780325559 1045783262 /nfs/dbraw/zinc/78/32/62/1045783262.db2.gz HKDZIDQFRHBNGY-DLBZAZTESA-N 0 0 316.489 4.318 20 10 DICDRN CCN1C(=O)/C(=C\c2cc(Cl)ccc2Cl)SC1=S ZINC000753687567 1045790608 /nfs/dbraw/zinc/79/06/08/1045790608.db2.gz JOXYLSZVNWGTFK-UXBLZVDNSA-N 0 0 318.250 4.215 20 10 DICDRN CC[C@H]1CCC[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001124905326 1045796880 /nfs/dbraw/zinc/79/68/80/1045796880.db2.gz GASIQSJWJZEHJE-QFBILLFUSA-N 0 0 314.473 4.070 20 10 DICDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC[C@H](C(C)C)CC2)c1 ZINC000753788816 1045803161 /nfs/dbraw/zinc/80/31/61/1045803161.db2.gz QLUSBSIJSSAZSG-KKUMJFAQSA-N 0 0 319.445 4.040 20 10 DICDRN Cc1cc(NC(=O)C2=CC(=O)CS2)cc(C(F)(F)F)c1 ZINC000754485394 1045892638 /nfs/dbraw/zinc/89/26/38/1045892638.db2.gz HEOLAMPLGRSCRA-UHFFFAOYSA-N 0 0 301.289 4.033 20 10 DICDRN Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)N(C)Cc1ccccc1O ZINC000754181020 1045859320 /nfs/dbraw/zinc/85/93/20/1045859320.db2.gz HVMQNBPAPMGAMN-RDJZCZTQSA-N 0 0 323.436 4.340 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)/C=C(\C)c2ccccc2)cc1 ZINC001125166773 1045865716 /nfs/dbraw/zinc/86/57/16/1045865716.db2.gz OLVNPJMNMNTSRM-BMRADRMJSA-N 0 0 322.452 4.253 20 10 DICDRN CC[C@H](CC(C)C)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC001125167392 1045866109 /nfs/dbraw/zinc/86/61/09/1045866109.db2.gz XDKJLLUCCXCEFH-QGZVFWFLSA-N 0 0 304.478 4.221 20 10 DICDRN Cc1cncc(/C=C/C(=O)N2C[C@H](C)CSc3ccccc32)c1 ZINC000754372915 1045882664 /nfs/dbraw/zinc/88/26/64/1045882664.db2.gz QIFBVHXUWBMHAY-KIUWMYQTSA-N 0 0 324.449 4.178 20 10 DICDRN COc1cccc(CNc2cccc(Oc3ccccn3)c2)c1O ZINC000779599384 1045917972 /nfs/dbraw/zinc/91/79/72/1045917972.db2.gz ZHSJYSHDJMJDFZ-UHFFFAOYSA-N 0 0 322.364 4.200 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCC(C)(C)C1 ZINC000802269754 1045933011 /nfs/dbraw/zinc/93/30/11/1045933011.db2.gz BBOZLICYXWKILQ-MRXNPFEDSA-N 0 0 318.461 4.283 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCC(C)(C)C1 ZINC000802269753 1045934068 /nfs/dbraw/zinc/93/40/68/1045934068.db2.gz BBOZLICYXWKILQ-INIZCTEOSA-N 0 0 318.461 4.283 20 10 DICDRN OCCc1ccc(NCc2cc(-c3ccccc3)ccc2O)cc1 ZINC000754893123 1045939335 /nfs/dbraw/zinc/93/93/35/1045939335.db2.gz UPLJTVYNCAYQDY-UHFFFAOYSA-N 0 0 319.404 4.206 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)CCC1CC1 ZINC000802296731 1045944057 /nfs/dbraw/zinc/94/40/57/1045944057.db2.gz JXSVJBHXSFYEGD-OAHLLOKOSA-N 0 0 318.461 4.283 20 10 DICDRN [O-]c1cccc(F)c1C[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001137839216 1045981554 /nfs/dbraw/zinc/98/15/54/1045981554.db2.gz XCZFVHAJWRESGL-ZDUSSCGKSA-N 0 0 305.780 4.174 20 10 DICDRN Cc1ccc(Cc2ccccn2)cc1NC(=O)C1=CC(=O)CS1 ZINC000802665265 1046029006 /nfs/dbraw/zinc/02/90/06/1046029006.db2.gz PWTKCNPDZIJQIW-UHFFFAOYSA-N 0 0 324.405 4.000 20 10 DICDRN COc1ccc(CSc2ncc(-c3ccccc3)n2C)cc1 ZINC000802694954 1046032733 /nfs/dbraw/zinc/03/27/33/1046032733.db2.gz YMVAYRNQELIUNY-UHFFFAOYSA-N 0 0 310.422 4.388 20 10 DICDRN Cc1cc(O)c(CNc2ccc(-c3ccccc3)nn2)cc1C ZINC000802759171 1046042158 /nfs/dbraw/zinc/04/21/58/1046042158.db2.gz GPIXETCZDMQMSS-UHFFFAOYSA-N 0 0 305.381 4.078 20 10 DICDRN CC/C(C)=C(/C)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000779753608 1046056271 /nfs/dbraw/zinc/05/62/71/1046056271.db2.gz DDODDLPNSSYWDA-NXVVXOECSA-N 0 0 302.462 4.238 20 10 DICDRN C[C@@]1(NC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCOC1 ZINC000756260782 1046060580 /nfs/dbraw/zinc/06/05/80/1046060580.db2.gz NNOLCPPUPOBQRY-GOSISDBHSA-N 0 0 324.384 4.403 20 10 DICDRN C[C@H]([NH2+]CCSCc1ccccc1F)c1ccc(F)cc1[O-] ZINC000756355177 1046066640 /nfs/dbraw/zinc/06/66/40/1046066640.db2.gz KIPQUEFNZCFWPT-LBPRGKRZSA-N 0 0 323.408 4.254 20 10 DICDRN Cc1ccc(Cl)c(CN2CCc3cccc(O)c3C2)c1F ZINC001138035607 1046067207 /nfs/dbraw/zinc/06/72/07/1046067207.db2.gz UFDPGVZVGKSPAP-UHFFFAOYSA-N 0 0 305.780 4.051 20 10 DICDRN C[C@H]([NH2+]CCc1ccc(Cl)cc1)c1cc(F)cc(F)c1[O-] ZINC000756344329 1046067952 /nfs/dbraw/zinc/06/79/52/1046067952.db2.gz QBJONXGLFZKZPH-JTQLQIEISA-N 0 0 311.759 4.217 20 10 DICDRN CC(C)COCCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756358068 1046068669 /nfs/dbraw/zinc/06/86/69/1046068669.db2.gz HQAUGRBCKUJKFG-LLVKDONJSA-N 0 0 320.260 4.412 20 10 DICDRN C[C@@H]([NH2+]CCSCc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756355840 1046068838 /nfs/dbraw/zinc/06/88/38/1046068838.db2.gz SZBHCJJIVIZUEL-GFCCVEGCSA-N 0 0 323.408 4.254 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1ccc(OC)cc1 ZINC000756357655 1046068937 /nfs/dbraw/zinc/06/89/37/1046068937.db2.gz OHZYTNXZDAPJJV-APPDUMDISA-N 0 0 321.367 4.481 20 10 DICDRN C[C@H]([NH2+]Cc1ccccc1)c1cc(Br)c(F)cc1[O-] ZINC000756355255 1046069605 /nfs/dbraw/zinc/06/96/05/1046069605.db2.gz PQRNUUWTHCCRKW-JTQLQIEISA-N 0 0 324.193 4.145 20 10 DICDRN COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756359980 1046069831 /nfs/dbraw/zinc/06/98/31/1046069831.db2.gz FDLFGYRGFSIFJM-NEPJUHHUSA-N 0 0 321.367 4.399 20 10 DICDRN Cc1cc(C(=O)N[C@@H](C)C2CCC2)c(C)n1-c1ccccc1C ZINC001138043798 1046070048 /nfs/dbraw/zinc/07/00/48/1046070048.db2.gz AURYIEMXOKRFHO-HNNXBMFYSA-N 0 0 310.441 4.321 20 10 DICDRN CCOCc1ccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756399316 1046075576 /nfs/dbraw/zinc/07/55/76/1046075576.db2.gz BZDSPQIGLCTLOL-LBPRGKRZSA-N 0 0 321.367 4.058 20 10 DICDRN CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756535043 1046096136 /nfs/dbraw/zinc/09/61/36/1046096136.db2.gz NGNVGFVYVNONHW-MNOVXSKESA-N 0 0 319.276 4.080 20 10 DICDRN CCOc1cc(C)ccc1N[C@H](C)c1cc(OC)ccc1O ZINC000193907963 1046080928 /nfs/dbraw/zinc/08/09/28/1046080928.db2.gz RKCNEBBWJWGWBK-CYBMUJFWSA-N 0 0 301.386 4.281 20 10 DICDRN Cc1occc1C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756483911 1046086126 /nfs/dbraw/zinc/08/61/26/1046086126.db2.gz ZMIDJLBEEFFRQR-QMMMGPOBSA-N 0 0 300.185 4.451 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)c1cc(F)cc(F)c1[O-] ZINC000756489701 1046089681 /nfs/dbraw/zinc/08/96/81/1046089681.db2.gz IKMHENLEXMEXAY-JDNHERCYSA-N 0 0 307.315 4.148 20 10 DICDRN CC(C)CCOCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756505684 1046091595 /nfs/dbraw/zinc/09/15/95/1046091595.db2.gz WODUAUCVDYDJSD-LLVKDONJSA-N 0 0 320.260 4.412 20 10 DICDRN CSCC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756585855 1046104583 /nfs/dbraw/zinc/10/45/83/1046104583.db2.gz NCMVIAJHWABGPA-BDAKNGLRSA-N 0 0 308.274 4.491 20 10 DICDRN C[C@@H]([NH2+]CC1(c2cccc(F)c2)CC1)c1ccc(F)cc1[O-] ZINC000756593026 1046106295 /nfs/dbraw/zinc/10/62/95/1046106295.db2.gz LDDBFKOHGAACAA-GFCCVEGCSA-N 0 0 303.352 4.053 20 10 DICDRN C[C@H]([NH2+]CC1(c2cccc(F)c2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756595083 1046106353 /nfs/dbraw/zinc/10/63/53/1046106353.db2.gz TUAFCLULUPOIJR-NSHDSACASA-N 0 0 321.342 4.192 20 10 DICDRN C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])Sc1ccccc1 ZINC000756609923 1046109780 /nfs/dbraw/zinc/10/97/80/1046109780.db2.gz PFCICXFRHXPZGS-OLZOCXBDSA-N 0 0 305.418 4.363 20 10 DICDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccco1 ZINC000194941933 1046110854 /nfs/dbraw/zinc/11/08/54/1046110854.db2.gz PIHRYNJJIBUSHO-HNNXBMFYSA-N 0 0 321.376 4.389 20 10 DICDRN CO[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccc(Cl)cc1 ZINC000756615024 1046110834 /nfs/dbraw/zinc/11/08/34/1046110834.db2.gz VBWPWPPEYLXBER-DIFFPNOSSA-N 0 0 323.795 4.223 20 10 DICDRN Cc1cc(F)ccc1CC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756645801 1046116211 /nfs/dbraw/zinc/11/62/11/1046116211.db2.gz KECDPPPPXVTBLO-LLVKDONJSA-N 0 0 309.331 4.011 20 10 DICDRN Cc1ccc(-c2nc(CN(C)c3ccc4c(c3)OCO4)co2)cc1 ZINC000756653152 1046118209 /nfs/dbraw/zinc/11/82/09/1046118209.db2.gz BKHURQGPEYDVBM-UHFFFAOYSA-N 0 0 322.364 4.015 20 10 DICDRN C[C@@H]([NH2+]CC(C)(C)CCCO)c1ccc(Cl)c(Cl)c1[O-] ZINC000756663262 1046118820 /nfs/dbraw/zinc/11/88/20/1046118820.db2.gz HNFFMUGCQFTXNQ-SNVBAGLBSA-N 0 0 320.260 4.148 20 10 DICDRN Cc1cccc(OCCC[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756676129 1046119693 /nfs/dbraw/zinc/11/96/93/1046119693.db2.gz NUEKOMMWONKILU-ZDUSSCGKSA-N 0 0 321.367 4.099 20 10 DICDRN C[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1cc(F)cc(F)c1[O-] ZINC000756709489 1046122315 /nfs/dbraw/zinc/12/23/15/1046122315.db2.gz XKVUXVDFMAKBIM-FVMDXXJSSA-N 0 0 307.315 4.148 20 10 DICDRN C[C@H]([NH2+]CC1(C)CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756735417 1046124356 /nfs/dbraw/zinc/12/43/56/1046124356.db2.gz BWSHKWYGPQUZBN-QMMMGPOBSA-N 0 0 318.642 4.259 20 10 DICDRN C[C@H]([NH2+]CCc1cc2ccccc2o1)c1cc(F)cc(F)c1[O-] ZINC000756739073 1046126092 /nfs/dbraw/zinc/12/60/92/1046126092.db2.gz RDDNTSPKDHGMJE-NSHDSACASA-N 0 0 317.335 4.310 20 10 DICDRN C[C@@H]([NH2+]CCc1cc2ccccc2o1)c1cc(F)cc(F)c1[O-] ZINC000756739072 1046126147 /nfs/dbraw/zinc/12/61/47/1046126147.db2.gz RDDNTSPKDHGMJE-LLVKDONJSA-N 0 0 317.335 4.310 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-])C1CCC1 ZINC000756769504 1046129911 /nfs/dbraw/zinc/12/99/11/1046129911.db2.gz MBLPYUKPEXFLRO-BDAKNGLRSA-N 0 0 316.214 4.133 20 10 DICDRN CO[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccccc1Cl ZINC000756762738 1046130010 /nfs/dbraw/zinc/13/00/10/1046130010.db2.gz ZIIPMRVSNFKUSH-GTNSWQLSSA-N 0 0 323.795 4.223 20 10 DICDRN C[C@H]([NH2+][C@@H](C)C1CCC1)c1cc(Br)cc(F)c1[O-] ZINC000756769508 1046130105 /nfs/dbraw/zinc/13/01/05/1046130105.db2.gz MBLPYUKPEXFLRO-IUCAKERBSA-N 0 0 316.214 4.133 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])C1CCC1 ZINC000756769025 1046130400 /nfs/dbraw/zinc/13/04/00/1046130400.db2.gz HYAVLHNJPUXEQL-BDAKNGLRSA-N 0 0 316.214 4.133 20 10 DICDRN C[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])c1cccc(F)c1F ZINC000756774229 1046132471 /nfs/dbraw/zinc/13/24/71/1046132471.db2.gz HFMXAKWIRDAETE-RKDXNWHRSA-N 0 0 313.294 4.360 20 10 DICDRN COc1cc(Cl)cc(CNc2ccc3c(c2)CCC3)c1O ZINC000228671631 1046133876 /nfs/dbraw/zinc/13/38/76/1046133876.db2.gz VLZNFGZRGGPIPR-UHFFFAOYSA-N 0 0 303.789 4.155 20 10 DICDRN COc1cc(C)c(N[C@@H](C)c2cc(F)cc(F)c2O)cc1OC ZINC000756791003 1046135458 /nfs/dbraw/zinc/13/54/58/1046135458.db2.gz DFLTUVCTUANCRG-JTQLQIEISA-N 0 0 323.339 4.169 20 10 DICDRN CC[C@H](CSC)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756790925 1046135915 /nfs/dbraw/zinc/13/59/15/1046135915.db2.gz PTDCZIXELMFWAC-RKDXNWHRSA-N 0 0 308.274 4.491 20 10 DICDRN C[C@@H](Nc1ccc(N2CCCC2)cc1)c1cc(F)cc(F)c1O ZINC000756797190 1046137038 /nfs/dbraw/zinc/13/70/38/1046137038.db2.gz PBDRIBKDZLRGSY-GFCCVEGCSA-N 0 0 318.367 4.444 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(C)cs1 ZINC000831415990 1046138280 /nfs/dbraw/zinc/13/82/80/1046138280.db2.gz GTSFMZRCQVKTCP-UHFFFAOYSA-N 0 0 303.427 4.205 20 10 DICDRN COc1c(F)cc(N[C@H]2C[C@H](C)c3c2c(O)ccc3F)cc1F ZINC000756814339 1046138664 /nfs/dbraw/zinc/13/86/64/1046138664.db2.gz KDUCPJPRQTWBGP-SDBXPKJASA-N 0 0 323.314 4.479 20 10 DICDRN CC(=O)Nc1c(C)ccc(N[C@H](C)c2ccc(F)cc2O)c1C ZINC000756813104 1046139070 /nfs/dbraw/zinc/13/90/70/1046139070.db2.gz 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CCCN(Cc1ccccc1O)C(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC000780458638 1046386393 /nfs/dbraw/zinc/38/63/93/1046386393.db2.gz VLZLRZSIPKRKMU-HUUCEWRRSA-N 0 0 303.446 4.203 20 10 DICDRN CCC[C@@H](C)CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000748620150 1046389112 /nfs/dbraw/zinc/38/91/12/1046389112.db2.gz POOFDDRFASWNSW-MRXNPFEDSA-N 0 0 304.478 4.316 20 10 DICDRN O=C(Nc1cccc(N2CCCC2)c1)c1ccc2ncccc2c1 ZINC000748624874 1046389617 /nfs/dbraw/zinc/38/96/17/1046389617.db2.gz TVROIOWAGUTBPW-UHFFFAOYSA-N 0 0 317.392 4.087 20 10 DICDRN Cc1cc(C(=O)Nc2cccc(N3CCCC3)c2)c(F)cc1F ZINC000748698756 1046396667 /nfs/dbraw/zinc/39/66/67/1046396667.db2.gz RATJICHAXMHLSD-UHFFFAOYSA-N 0 0 316.351 4.126 20 10 DICDRN CCC[C@H](C)CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000748728731 1046399041 /nfs/dbraw/zinc/39/90/41/1046399041.db2.gz WUTFKHIVEXFKNM-INIZCTEOSA-N 0 0 302.462 4.119 20 10 DICDRN COc1ccc2c(c1)CCCN2Cc1ncccc1C(F)(F)F ZINC000780767189 1046403784 /nfs/dbraw/zinc/40/37/84/1046403784.db2.gz QJNQTOJTYCZOED-UHFFFAOYSA-N 0 0 322.330 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1046520069 /nfs/dbraw/zinc/52/00/69/1046520069.db2.gz IEROFWRWNWAXFO-UHFFFAOYSA-N 0 0 311.385 4.116 20 10 DICDRN Nc1ccc(Cc2ccc(Nc3ccc(CCO)cc3)cc2)cc1 ZINC001212930862 1046546102 /nfs/dbraw/zinc/54/61/02/1046546102.db2.gz XOAUFNOUESKUEP-UHFFFAOYSA-N 0 0 318.420 4.138 20 10 DICDRN Nc1ccc(N(Cc2ccccc2)c2ccc(CCO)cc2)cc1 ZINC001212930878 1046546958 /nfs/dbraw/zinc/54/69/58/1046546958.db2.gz ZBVKZAVQMXKAQP-UHFFFAOYSA-N 0 0 318.420 4.142 20 10 DICDRN CCC[N@H+](Cc1ccccc1O)Cc1ncccc1C(F)(F)F ZINC000092704957 1046557938 /nfs/dbraw/zinc/55/79/38/1046557938.db2.gz CVMYMJAPDKESPH-UHFFFAOYSA-N 0 0 324.346 4.218 20 10 DICDRN c1csc(SCc2cncc(OCc3ccccc3)c2)n1 ZINC000783127152 1046560577 /nfs/dbraw/zinc/56/05/77/1046560577.db2.gz SUYDGBKETLZOFS-UHFFFAOYSA-N 0 0 314.435 4.409 20 10 DICDRN CC[C@H](Nc1ccc(F)c(OC)c1)c1ccc(N(C)C)cc1 ZINC000783306647 1046577048 /nfs/dbraw/zinc/57/70/48/1046577048.db2.gz IWVLZWKYRYXODU-KRWDZBQOSA-N 0 0 302.393 4.464 20 10 DICDRN COc1cc(N[C@@H]2C[C@H](C)c3c2c(O)ccc3F)ccc1F ZINC000783306727 1046577568 /nfs/dbraw/zinc/57/75/68/1046577568.db2.gz MALCNBGZUGECKP-TVQRCGJNSA-N 0 0 305.324 4.339 20 10 DICDRN Oc1ccc(F)cc1C[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001140059192 1046577662 /nfs/dbraw/zinc/57/76/62/1046577662.db2.gz YCXCHUXQDNRZEO-ZDUSSCGKSA-N 0 0 305.780 4.174 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)CCCc1ccsc1 ZINC000783587378 1046612377 /nfs/dbraw/zinc/61/23/77/1046612377.db2.gz AERPXUQZYLHYOB-UHFFFAOYSA-N 0 0 317.454 4.215 20 10 DICDRN CN(C)c1ccc(CN[C@H](c2ccccc2)C(F)(F)F)cc1 ZINC000783671376 1046619673 /nfs/dbraw/zinc/61/96/73/1046619673.db2.gz YXYXNCQCPUYMKO-MRXNPFEDSA-N 0 0 308.347 4.146 20 10 DICDRN CN(CC[C@@H]1CCOC1)c1ccc(OCc2ccccc2)cc1 ZINC000783714736 1046627899 /nfs/dbraw/zinc/62/78/99/1046627899.db2.gz AXSYDCXHKXYZFE-GOSISDBHSA-N 0 0 311.425 4.128 20 10 DICDRN Oc1cccc2c1[C@H](Nc1cccc(N3CCCCC3)c1)CC2 ZINC000834713721 1046655446 /nfs/dbraw/zinc/65/54/46/1046655446.db2.gz GBVSYKWNJKCRCV-GOSISDBHSA-N 0 0 308.425 4.482 20 10 DICDRN Oc1cccc2c1[C@H](Nc1ccc(F)cc1OC(F)F)CC2 ZINC000834756477 1046666270 /nfs/dbraw/zinc/66/62/70/1046666270.db2.gz QXLABAZJEZHJBF-GFCCVEGCSA-N 0 0 309.287 4.232 20 10 DICDRN Oc1cccc(Cl)c1CN1CCc2c3ccccc3oc2C1 ZINC001140341736 1046667656 /nfs/dbraw/zinc/66/76/56/1046667656.db2.gz FMFVYTCMJBPBHS-UHFFFAOYSA-N 0 0 313.784 4.350 20 10 DICDRN CC(C)c1nc(CN(C)Cc2c(O)cccc2Cl)cs1 ZINC001140341478 1046668240 /nfs/dbraw/zinc/66/82/40/1046668240.db2.gz PZMHTLKVYDZYKV-UHFFFAOYSA-N 0 0 310.850 4.258 20 10 DICDRN C[C@@H]([NH2+]C[C@@H]1CSc2ccccc21)c1ccc(F)cc1[O-] ZINC000834818187 1046675570 /nfs/dbraw/zinc/67/55/70/1046675570.db2.gz HXSDZSGYUUQMCX-VXGBXAGGSA-N 0 0 303.402 4.071 20 10 DICDRN CC[C@@H]([NH2+]CC[C@H](C)CCO)c1cc(Cl)cc(Cl)c1[O-] ZINC000834830262 1046678863 /nfs/dbraw/zinc/67/88/63/1046678863.db2.gz BCQRXBIWDFJFAL-IINYFYTJSA-N 0 0 320.260 4.148 20 10 DICDRN C[C@H](Nc1cc2c(cc1Cl)OCO2)c1cc(F)ccc1O ZINC000094617247 1046678796 /nfs/dbraw/zinc/67/87/96/1046678796.db2.gz DRDGHVCVZLTKPP-QMMMGPOBSA-N 0 0 309.724 4.087 20 10 DICDRN CC(C)C(C)(C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000784400370 1046688934 /nfs/dbraw/zinc/68/89/34/1046688934.db2.gz XFLJWFDTRYJQPD-UHFFFAOYSA-N 0 0 316.489 4.221 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)CC(C)(C)O)c1cc(Cl)cc(Cl)c1[O-] ZINC000834876852 1046693802 /nfs/dbraw/zinc/69/38/02/1046693802.db2.gz RNJQPKUJMXSJRC-ZANVPECISA-N 0 0 320.260 4.289 20 10 DICDRN CC[C@H]([NH2+]C[C@H]1CCO[C@H](C(C)C)C1)c1ccc(F)cc1[O-] ZINC000834886533 1046701392 /nfs/dbraw/zinc/70/13/92/1046701392.db2.gz TWWJNYGZFPOVOV-OWQGQXMQSA-N 0 0 309.425 4.023 20 10 DICDRN C[C@@H]([NH2+]CC[C@]1(C)CC1(Cl)Cl)c1ccc(F)cc1[O-] ZINC000834892787 1046702004 /nfs/dbraw/zinc/70/20/04/1046702004.db2.gz MJGOCYISSCKNCI-NOZJJQNGSA-N 0 0 306.208 4.156 20 10 DICDRN C[C@H]([NH2+]CC[C@@]1(C)CC1(Cl)Cl)c1ccc(F)cc1[O-] ZINC000834892796 1046702719 /nfs/dbraw/zinc/70/27/19/1046702719.db2.gz MJGOCYISSCKNCI-ZANVPECISA-N 0 0 306.208 4.156 20 10 DICDRN C[C@H]([NH2+]CC[C@@]1(C)CC1(Cl)Cl)c1cc(F)cc(F)c1[O-] ZINC000834894688 1046705637 /nfs/dbraw/zinc/70/56/37/1046705637.db2.gz UALJNOPMQAXKDF-SDBXPKJASA-N 0 0 324.198 4.295 20 10 DICDRN CO[C@@H]([C@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])C1CC1 ZINC000834904338 1046713625 /nfs/dbraw/zinc/71/36/25/1046713625.db2.gz NNJTVPDREGOMIU-UTEYVOQOSA-N 0 0 318.244 4.163 20 10 DICDRN C[C@H]([NH2+]CC(C)(C)C(C)(C)O)c1ccc(Cl)c(Cl)c1[O-] ZINC000834904395 1046714325 /nfs/dbraw/zinc/71/43/25/1046714325.db2.gz PJVNNEPXEMNKGJ-VIFPVBQESA-N 0 0 320.260 4.147 20 10 DICDRN CC[C@@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1cccc(Cl)c1[O-] ZINC000834912002 1046718114 /nfs/dbraw/zinc/71/81/14/1046718114.db2.gz VGLOVCGJFKKLLB-SWLSCSKDSA-N 0 0 311.853 4.292 20 10 DICDRN CC[C@H]([NH2+]CCc1ccc(C)cn1)c1cccc(Cl)c1[O-] ZINC000834910547 1046718427 /nfs/dbraw/zinc/71/84/27/1046718427.db2.gz UNNKNCDZDCALHX-INIZCTEOSA-N 0 0 304.821 4.032 20 10 DICDRN CC[C@@H]([NH2+]CCc1cccc2cccnc21)c1ccc(F)cc1[O-] ZINC000796684955 1046718361 /nfs/dbraw/zinc/71/83/61/1046718361.db2.gz UANRFHLHDGEYJT-GOSISDBHSA-N 0 0 324.399 4.363 20 10 DICDRN CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000834913410 1046721236 /nfs/dbraw/zinc/72/12/36/1046721236.db2.gz PGEUKRUFSCBMFG-LERXQTSPSA-N 0 0 317.351 4.019 20 10 DICDRN CC[C@@H]([NH2+]CCc1ccc2ccccc2n1)c1ccc(F)cc1[O-] ZINC000796723674 1046723193 /nfs/dbraw/zinc/72/31/93/1046723193.db2.gz ORHBVZHEFGRKQE-GOSISDBHSA-N 0 0 324.399 4.363 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccccc1N(C)CC)c1ccc(F)cc1[O-] ZINC000796756074 1046726945 /nfs/dbraw/zinc/72/69/45/1046726945.db2.gz QVRYKPFTQAUJRF-QGZVFWFLSA-N 0 0 316.420 4.228 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H](C)Oc1ccccc1)c1ccc(F)cc1[O-] ZINC000796816100 1046739300 /nfs/dbraw/zinc/73/93/00/1046739300.db2.gz JPZTTYMEINRMBN-CXAGYDPISA-N 0 0 303.377 4.040 20 10 DICDRN CC[C@H]([NH2+][C@H](C)Cc1cccc(OC)c1)c1ccc(F)cc1[O-] ZINC000796823623 1046740231 /nfs/dbraw/zinc/74/02/31/1046740231.db2.gz BJNCPZANBVPPEA-ACJLOTCBSA-N 0 0 317.404 4.212 20 10 DICDRN CC(C)[N@H+](C/C=C\c1ccc(N(C)C)cc1)Cc1ccccn1 ZINC000835026741 1046742447 /nfs/dbraw/zinc/74/24/47/1046742447.db2.gz GFVMFLWGFMWXJJ-FPLPWBNLSA-N 0 0 309.457 4.071 20 10 DICDRN CC(=O)Nc1cccc(NC/C=C/c2ccc(N(C)C)cc2)c1C ZINC000835030053 1046743329 /nfs/dbraw/zinc/74/33/29/1046743329.db2.gz VKYXJUIKHHOFLJ-VOTSOKGWSA-N 0 0 323.440 4.145 20 10 DICDRN CCC(=O)Nc1ccc(NC/C=C\c2ccc(N(C)C)cc2)cc1 ZINC000835030450 1046743347 /nfs/dbraw/zinc/74/33/47/1046743347.db2.gz DKBZBTGRJRFTHI-WAYWQWQTSA-N 0 0 323.440 4.226 20 10 DICDRN CC[C@@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)c1ccc(F)cc1[O-] ZINC000796836456 1046743178 /nfs/dbraw/zinc/74/31/78/1046743178.db2.gz YPOINUFUBOEORF-NVXWUHKLSA-N 0 0 309.425 4.167 20 10 DICDRN Cc1cccc([C@H]2CCC[N@H+]2C/C=C/c2ccc(N(C)C)cc2)n1 ZINC000835030679 1046744316 /nfs/dbraw/zinc/74/43/16/1046744316.db2.gz YIWHHZMSAZPJMC-WKOQKXSESA-N 0 0 321.468 4.306 20 10 DICDRN CC[C@H]([NH2+]C1CCC(OC(C)C)CC1)c1ccc(F)cc1[O-] ZINC000796840127 1046744388 /nfs/dbraw/zinc/74/43/88/1046744388.db2.gz KUZPQHTWHNFYFB-DQPZFDDXSA-N 0 0 309.425 4.308 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)c1ccc(F)cc1[O-] ZINC000796853681 1046746774 /nfs/dbraw/zinc/74/67/74/1046746774.db2.gz PTIYSKSOTPCITA-UKPHBRMFSA-N 0 0 309.425 4.166 20 10 DICDRN CC[C@@H]([NH2+]C1(c2ccccc2F)CC1)c1ccc(F)cc1[O-] ZINC000796881713 1046750884 /nfs/dbraw/zinc/75/08/84/1046750884.db2.gz RDKYRBLCPCUDII-MRXNPFEDSA-N 0 0 303.352 4.400 20 10 DICDRN CCCCn1ncc(N[C@H](CC)c2ccc(F)cc2O)c1C ZINC000796901714 1046755460 /nfs/dbraw/zinc/75/54/60/1046755460.db2.gz YPOUNPYLKYUGKW-OAHLLOKOSA-N 0 0 305.397 4.400 20 10 DICDRN CC[C@H](Nc1cc(OC)c(OC)cc1F)c1ccc(F)cc1O ZINC000796900203 1046755703 /nfs/dbraw/zinc/75/57/03/1046755703.db2.gz SWYUWCBGQFNQJF-ZDUSSCGKSA-N 0 0 323.339 4.251 20 10 DICDRN CC[C@@H](Nc1cc(F)cc(F)c1OC)c1ccc(F)cc1O ZINC000796918628 1046759600 /nfs/dbraw/zinc/75/96/00/1046759600.db2.gz MKPGPGODWNLTEE-CYBMUJFWSA-N 0 0 311.303 4.381 20 10 DICDRN CC[C@H]([NH2+]Cc1c(Cl)cccc1OC)c1ccc(F)cc1[O-] ZINC000796964524 1046764886 /nfs/dbraw/zinc/76/48/86/1046764886.db2.gz GAVBDMVZMWCKMI-HNNXBMFYSA-N 0 0 323.795 4.434 20 10 DICDRN CC[C@@H]([NH2+]CCc1cccc2[nH]ccc21)c1ccc(F)cc1[O-] ZINC000796989437 1046767435 /nfs/dbraw/zinc/76/74/35/1046767435.db2.gz QXQDDNIJZVJAAE-QGZVFWFLSA-N 0 0 312.388 4.296 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C)c(C)c1 ZINC000302810822 1046810720 /nfs/dbraw/zinc/81/07/20/1046810720.db2.gz MCZNWNCAWLESAS-UHFFFAOYSA-N 0 0 310.441 4.032 20 10 DICDRN CCc1ccnc(CNC(=S)Nc2cccc(C(C)C)c2)c1 ZINC000797793874 1046882811 /nfs/dbraw/zinc/88/28/11/1046882811.db2.gz YJAVXYYWKKPTJL-UHFFFAOYSA-N 0 0 313.470 4.254 20 10 DICDRN CN(C(=O)/C=C/c1cncc(F)c1)c1ccc(C(C)(C)C)cc1 ZINC000303188327 1046887396 /nfs/dbraw/zinc/88/73/96/1046887396.db2.gz FCIVNERYYMUXSA-BJMVGYQFSA-N 0 0 312.388 4.194 20 10 DICDRN COC(=O)Nc1cccc(NCc2cc(Cl)ccc2O)c1C ZINC000797881029 1046901777 /nfs/dbraw/zinc/90/17/77/1046901777.db2.gz KGZXSSIIXLAIRJ-UHFFFAOYSA-N 0 0 320.776 4.144 20 10 DICDRN CCCN(CCC)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000303374328 1046915006 /nfs/dbraw/zinc/91/50/06/1046915006.db2.gz UFWYZFLYHBJDIK-UHFFFAOYSA-N 0 0 323.456 4.004 20 10 DICDRN COc1ccc(N(Cc2ccccc2)CC2CCOCC2)cc1 ZINC000303506546 1046926455 /nfs/dbraw/zinc/92/64/55/1046926455.db2.gz NFRPLBLVRDRIPO-UHFFFAOYSA-N 0 0 311.425 4.128 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)[C@H](C)CC1CCCC1 ZINC000303531279 1046931455 /nfs/dbraw/zinc/93/14/55/1046931455.db2.gz FWOZNSGUZIMKNZ-OAHLLOKOSA-N 0 0 303.446 4.347 20 10 DICDRN CCCn1cc(N[C@@H](C)c2cccc(C(F)(F)F)c2O)cn1 ZINC000798183776 1046933488 /nfs/dbraw/zinc/93/34/88/1046933488.db2.gz SRALSGDLCKJULY-JTQLQIEISA-N 0 0 313.323 4.191 20 10 DICDRN CCC1(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCCC1 ZINC000757376264 1046944839 /nfs/dbraw/zinc/94/48/39/1046944839.db2.gz XBQMLYXEYBZRHY-UHFFFAOYSA-N 0 0 314.473 4.214 20 10 DICDRN CN(C)c1ccc(CN2CCCC[C@@H]2C(F)(F)F)c(Cl)c1 ZINC001140925024 1046951552 /nfs/dbraw/zinc/95/15/52/1046951552.db2.gz YGFFIJGPCQPPSV-CQSZACIVSA-N 0 0 320.786 4.323 20 10 DICDRN Cc1ccc(C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)c(O)c1 ZINC001140948538 1046957664 /nfs/dbraw/zinc/95/76/64/1046957664.db2.gz MTMXIFLZQFPQLR-NRFANRHFSA-N 0 0 318.420 4.107 20 10 DICDRN Cc1ccc(O)c(CNc2cc(-c3ccnn3C)ccc2C)c1 ZINC000798501548 1046957837 /nfs/dbraw/zinc/95/78/37/1046957837.db2.gz MGMFRMZBWURVTQ-UHFFFAOYSA-N 0 0 307.397 4.022 20 10 DICDRN Cc1ccc(C[N@@H+]2CCC[C@H](Oc3ccccc3C)C2)c(O)c1 ZINC001140949585 1046958513 /nfs/dbraw/zinc/95/85/13/1046958513.db2.gz FLRIZEMONKZBEN-SFHVURJKSA-N 0 0 311.425 4.052 20 10 DICDRN CC1CCN(c2cccc(NC(=O)c3ccc(F)cc3)c2)CC1 ZINC000303760875 1046962349 /nfs/dbraw/zinc/96/23/49/1046962349.db2.gz FBPRQOPTMQWVNR-UHFFFAOYSA-N 0 0 312.388 4.314 20 10 DICDRN COc1ccc(C(=O)Nc2cccc(N3CCCCCC3)c2)cc1 ZINC000303852213 1046997117 /nfs/dbraw/zinc/99/71/17/1046997117.db2.gz OLNMMOIYXVILGS-UHFFFAOYSA-N 0 0 324.424 4.328 20 10 DICDRN COc1ccc(N(Cc2ccccc2)Cc2ccccn2)cc1 ZINC000303958207 1047011080 /nfs/dbraw/zinc/01/10/80/1047011080.db2.gz YHCQRPRZPHZJDE-UHFFFAOYSA-N 0 0 304.393 4.297 20 10 DICDRN COc1ccc(N(Cc2cc(C)no2)Cc2ccccc2)cc1 ZINC000097061204 1047014437 /nfs/dbraw/zinc/01/44/37/1047014437.db2.gz RUZOEDNIEJUNLT-UHFFFAOYSA-N 0 0 308.381 4.198 20 10 DICDRN CN1C(=O)/C(=C\c2scnc2C2CC2)c2cc(Cl)ccc21 ZINC000799501622 1047039000 /nfs/dbraw/zinc/03/90/00/1047039000.db2.gz JTGNFFWZOQMIBG-GHXNOFRVSA-N 0 0 316.813 4.191 20 10 DICDRN Cc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc(C)c1Cl ZINC000799822445 1047061619 /nfs/dbraw/zinc/06/16/19/1047061619.db2.gz FGKWIJOCQPDSCF-GQCTYLIASA-N 0 0 317.772 4.020 20 10 DICDRN CCCC[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000799879173 1047066413 /nfs/dbraw/zinc/06/64/13/1047066413.db2.gz SFKBHKFGUGGPHP-HNNXBMFYSA-N 0 0 302.462 4.070 20 10 DICDRN CCCC[C@@H](C)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000799961755 1047078160 /nfs/dbraw/zinc/07/81/60/1047078160.db2.gz ZFYDTSLPJAPSGH-CQSZACIVSA-N 0 0 322.412 4.161 20 10 DICDRN CC[C@@H]1CCCC[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001137443105 1047122061 /nfs/dbraw/zinc/12/20/61/1047122061.db2.gz BYFUXFWLBQVDHM-PBHICJAKSA-N 0 0 315.457 4.104 20 10 DICDRN O=C1N=C(N2CCCCC2)S/C1=C/c1ccc2ccccc2c1 ZINC000208843985 1047124331 /nfs/dbraw/zinc/12/43/31/1047124331.db2.gz WNTGLQKKKFISNM-GHRIWEEISA-N 0 0 322.433 4.296 20 10 DICDRN CC[C@H]([NH2+]CCCc1nc(C)cs1)c1ccc(C)cc1O ZINC001116873786 1047184927 /nfs/dbraw/zinc/18/49/27/1047184927.db2.gz JWXSPMCSODTYAX-HNNXBMFYSA-N 0 0 304.459 4.139 20 10 DICDRN O=C(Nc1cccc(N2CCCC2)c1)c1cccc(Cl)c1F ZINC000133148504 1047188061 /nfs/dbraw/zinc/18/80/61/1047188061.db2.gz ZMNLOMHSWAMBFM-UHFFFAOYSA-N 0 0 318.779 4.332 20 10 DICDRN Cc1ccc(-c2nnc(-c3cc(C)n(-c4ccccn4)c3C)o2)o1 ZINC001117237868 1047216223 /nfs/dbraw/zinc/21/62/23/1047216223.db2.gz JWSCBPKUBZNXHD-UHFFFAOYSA-N 0 0 320.352 4.108 20 10 DICDRN COc1cccc(CNc2cc(-c3ccccc3)cnc2C)c1O ZINC000760453863 1047238651 /nfs/dbraw/zinc/23/86/51/1047238651.db2.gz HALAMIXPILBZDV-UHFFFAOYSA-N 0 0 320.392 4.383 20 10 DICDRN C[C@@H](NC(=O)[C@@H](C)c1ccc(Cl)s1)c1ccccc1O ZINC000827937498 1047259660 /nfs/dbraw/zinc/25/96/60/1047259660.db2.gz YHZNPJRFVCFICK-VHSXEESVSA-N 0 0 309.818 4.088 20 10 DICDRN Cc1cc(F)c(C(F)(F)F)cc1NC(=O)C1=CC(=O)CS1 ZINC001141710881 1047274468 /nfs/dbraw/zinc/27/44/68/1047274468.db2.gz ORTHFJMLKOZLPK-UHFFFAOYSA-N 0 0 319.279 4.172 20 10 DICDRN CC(C)c1ccc(SCC(=O)N(C)c2ccc(N)cc2)cc1 ZINC000386249619 1047276538 /nfs/dbraw/zinc/27/65/38/1047276538.db2.gz VLXHCLHMASJOJY-UHFFFAOYSA-N 0 0 314.454 4.147 20 10 DICDRN Cc1ccc(C(=O)Nc2cccc(N3CCCCCC3)c2)cc1N ZINC001118281237 1047278636 /nfs/dbraw/zinc/27/86/36/1047278636.db2.gz GNGOPIHBKOAYMJ-UHFFFAOYSA-N 0 0 323.440 4.210 20 10 DICDRN CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000387885985 1047284881 /nfs/dbraw/zinc/28/48/81/1047284881.db2.gz QEGMPNLLYSAAFP-QWHCGFSZSA-N 0 0 303.377 4.342 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccccc1OC ZINC000388587185 1047286854 /nfs/dbraw/zinc/28/68/54/1047286854.db2.gz HHENMPCPWJUFQQ-BLLLJJGKSA-N 0 0 303.377 4.342 20 10 DICDRN C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])COCc1ccccc1 ZINC000389911334 1047293207 /nfs/dbraw/zinc/29/32/07/1047293207.db2.gz KBDHHQPNQRGMMT-CABCVRRESA-N 0 0 317.404 4.035 20 10 DICDRN Cc1nccc(CN(C)c2ccc(OCc3ccccc3)cc2)n1 ZINC000796454705 1047294654 /nfs/dbraw/zinc/29/46/54/1047294654.db2.gz FIMFNBHQUMMSDU-UHFFFAOYSA-N 0 0 319.408 4.000 20 10 DICDRN CC[C@@H](Nc1ccc(N2CCCCC2)nc1)c1ccccc1O ZINC000390406735 1047297529 /nfs/dbraw/zinc/29/75/29/1047297529.db2.gz JTSXQHBCBGWXCA-QGZVFWFLSA-N 0 0 311.429 4.341 20 10 DICDRN Oc1cccc2c1[C@H](Nc1ccc(N3CCCC3)c(F)c1)CC2 ZINC000391845529 1047306267 /nfs/dbraw/zinc/30/62/67/1047306267.db2.gz KYXODKMPAOHWLO-MRXNPFEDSA-N 0 0 312.388 4.231 20 10 DICDRN CC[C@H](C)Oc1cccc(NCc2cccc(OC)c2O)c1 ZINC000393369406 1047307175 /nfs/dbraw/zinc/30/71/75/1047307175.db2.gz CQLVXVOASUKOTG-ZDUSSCGKSA-N 0 0 301.386 4.190 20 10 DICDRN C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000840775004 1047331879 /nfs/dbraw/zinc/33/18/79/1047331879.db2.gz OSJISWLLQQEKKK-OLZOCXBDSA-N 0 0 320.383 4.127 20 10 DICDRN COC1CCC([NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000840792751 1047333425 /nfs/dbraw/zinc/33/34/25/1047333425.db2.gz PTJKXUTUPGSBMA-VOMCLLRMSA-N 0 0 317.351 4.019 20 10 DICDRN COc1cc(N[C@H]2CCc3cccc(O)c32)cc(OC)c1Cl ZINC000840813145 1047338613 /nfs/dbraw/zinc/33/86/13/1047338613.db2.gz LQPARWXDJMZJBL-LBPRGKRZSA-N 0 0 319.788 4.162 20 10 DICDRN Cc1cc(O)c(CNc2cnn([C@H](C)C3CC3)c2)c(Cl)c1 ZINC000840936702 1047361355 /nfs/dbraw/zinc/36/13/55/1047361355.db2.gz CSPWKTVAYGENSW-LLVKDONJSA-N 0 0 305.809 4.134 20 10 DICDRN Cc1cccc(C(C)C)c1NC(=O)NCCc1ccc(N)cc1 ZINC000841006412 1047369027 /nfs/dbraw/zinc/36/90/27/1047369027.db2.gz DSAZODSPDYZHTN-UHFFFAOYSA-N 0 0 311.429 4.065 20 10 DICDRN Cc1cc(O)c(CNc2ccc3c(c2)CCCN3)c(Cl)c1 ZINC000841036931 1047373514 /nfs/dbraw/zinc/37/35/14/1047373514.db2.gz QIRNEPIRYLURPU-UHFFFAOYSA-N 0 0 302.805 4.324 20 10 DICDRN Oc1ccc(Cl)c(F)c1CNc1ccc2c(c1)CCCN2 ZINC000841034422 1047373952 /nfs/dbraw/zinc/37/39/52/1047373952.db2.gz AOQGXTDCEMOZTI-UHFFFAOYSA-N 0 0 306.768 4.155 20 10 DICDRN CCCOc1ccc(CNc2ccc(N)cc2)cc1OCC ZINC000841039844 1047374127 /nfs/dbraw/zinc/37/41/27/1047374127.db2.gz BYCIFHVRGPMAJE-UHFFFAOYSA-N 0 0 300.402 4.068 20 10 DICDRN COC(=O)c1sc2ccccc2c1CSc1nccs1 ZINC000726742901 1047378005 /nfs/dbraw/zinc/37/80/05/1047378005.db2.gz SUINPEDSUJQAME-UHFFFAOYSA-N 0 0 321.448 4.437 20 10 DICDRN COc1ccc(N(Cc2cccnc2Cl)C(C)C)cc1F ZINC000726971235 1047396367 /nfs/dbraw/zinc/39/63/67/1047396367.db2.gz CZKGBCBTEPKHDJ-UHFFFAOYSA-N 0 0 308.784 4.298 20 10 DICDRN CC(C)c1ccc(C[C@@H](C)NC(=O)Nc2ccc(N)cc2)cc1 ZINC000841299163 1047400639 /nfs/dbraw/zinc/40/06/39/1047400639.db2.gz VRPFNHGYBPEOAR-CQSZACIVSA-N 0 0 311.429 4.145 20 10 DICDRN CC[C@H]1CN(C(=O)Nc2ccc(N)cc2)CC[C@@H]1c1ccccc1 ZINC000841300843 1047401329 /nfs/dbraw/zinc/40/13/29/1047401329.db2.gz UUHFSPIZVKAGSF-KXBFYZLASA-N 0 0 323.440 4.316 20 10 DICDRN Cc1ccccc1[C@@H](CC(C)C)NC(=O)Nc1ccc(N)cc1 ZINC000841300785 1047401513 /nfs/dbraw/zinc/40/15/13/1047401513.db2.gz VCSHVBQGBJACNC-GOSISDBHSA-N 0 0 311.429 4.486 20 10 DICDRN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)Nc1ccc(N)cc1 ZINC000841299492 1047401524 /nfs/dbraw/zinc/40/15/24/1047401524.db2.gz LFFAINRFIWMBRP-QWQRMKEZSA-N 0 0 309.413 4.067 20 10 DICDRN CC(C)(C)CN(Cc1ccccc1)C(=O)Nc1ccc(N)cc1 ZINC000841300533 1047401780 /nfs/dbraw/zinc/40/17/80/1047401780.db2.gz RHNSTZFNGJOYBY-UHFFFAOYSA-N 0 0 311.429 4.349 20 10 DICDRN Nc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)cc1 ZINC000841301240 1047401805 /nfs/dbraw/zinc/40/18/05/1047401805.db2.gz GXBKKXSRMVOYTP-QZTJIDSGSA-N 0 0 309.413 4.117 20 10 DICDRN Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)Nc2ccc(N)cc2)cc1 ZINC000841299539 1047401890 /nfs/dbraw/zinc/40/18/90/1047401890.db2.gz IKKGGGOBULYIHJ-RTBURBONSA-N 0 0 323.440 4.377 20 10 DICDRN C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccc(N)cc2)C1 ZINC000841299785 1047401932 /nfs/dbraw/zinc/40/19/32/1047401932.db2.gz JRJZBXDQEAWUAM-YVEFUNNKSA-N 0 0 313.376 4.023 20 10 DICDRN CC(C)C[C@H](NC(=O)Nc1ccc(N)cc1)c1cccs1 ZINC000841301181 1047402089 /nfs/dbraw/zinc/40/20/89/1047402089.db2.gz FDPVNXXOXJSBKH-AWEZNQCLSA-N 0 0 303.431 4.239 20 10 DICDRN CC[C@H](Cc1ccccc1)N(CC)C(=O)Nc1ccc(N)cc1 ZINC000841300880 1047402136 /nfs/dbraw/zinc/40/21/36/1047402136.db2.gz VPAQIGLMTVBIPG-GOSISDBHSA-N 0 0 311.429 4.144 20 10 DICDRN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1ccc(N)cc1 ZINC000841299846 1047402159 /nfs/dbraw/zinc/40/21/59/1047402159.db2.gz KXAFHVNNGMXXAH-SFHVURJKSA-N 0 0 311.429 4.062 20 10 DICDRN Nc1ccc(NC(=O)N2CCC(CCc3ccccc3)CC2)cc1 ZINC000841302011 1047402193 /nfs/dbraw/zinc/40/21/93/1047402193.db2.gz IDCADJDULJTTKC-UHFFFAOYSA-N 0 0 323.440 4.146 20 10 DICDRN C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccc(N)cc2)C1 ZINC000841300439 1047402205 /nfs/dbraw/zinc/40/22/05/1047402205.db2.gz RQXSZPWUKXENCI-YVEFUNNKSA-N 0 0 313.376 4.023 20 10 DICDRN CC1(C)CC[C@@H](NC(=O)Nc2ccc(N)cc2)c2ccccc21 ZINC000841301151 1047402232 /nfs/dbraw/zinc/40/22/32/1047402232.db2.gz CJSAAYYJQUGCLJ-QGZVFWFLSA-N 0 0 309.413 4.203 20 10 DICDRN CCc1ccc([C@H](NC(=O)Nc2ccc(N)cc2)C(C)C)cc1 ZINC000841302312 1047403241 /nfs/dbraw/zinc/40/32/41/1047403241.db2.gz SMJMLIGKRJUKRJ-GOSISDBHSA-N 0 0 311.429 4.350 20 10 DICDRN COc1ccc(N(Cc2ccccc2)Cc2cnc(C)cn2)cc1 ZINC000749437170 1047417964 /nfs/dbraw/zinc/41/79/64/1047417964.db2.gz SYOWSCYAOAQSAN-UHFFFAOYSA-N 0 0 319.408 4.000 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1C2CCC1CC2 ZINC000749564580 1047425613 /nfs/dbraw/zinc/42/56/13/1047425613.db2.gz GSCWUUMVSDGZNZ-UHFFFAOYSA-N 0 0 308.425 4.170 20 10 DICDRN COc1ccc(N(C)CCCc2ccccc2Cl)c(OC)c1 ZINC001168316732 1047425569 /nfs/dbraw/zinc/42/55/69/1047425569.db2.gz FPMLVMGWYLLGPT-UHFFFAOYSA-N 0 0 319.832 4.426 20 10 DICDRN CC(C)[C@@H](C(=O)NCc1ccccc1O)c1cccc(Cl)c1 ZINC000749530081 1047426165 /nfs/dbraw/zinc/42/61/65/1047426165.db2.gz GFQGSNVWEBQKJG-QGZVFWFLSA-N 0 0 317.816 4.102 20 10 DICDRN COc1ccc(N(C)CCSC2CCCCC2)c(OC)c1 ZINC001168317944 1047428191 /nfs/dbraw/zinc/42/81/91/1047428191.db2.gz WCXBVMZKRIDIBV-UHFFFAOYSA-N 0 0 309.475 4.206 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(C2CCC2)CCC1 ZINC001142410854 1047441325 /nfs/dbraw/zinc/44/13/25/1047441325.db2.gz SNAUNLZNPYIEPC-UHFFFAOYSA-N 0 0 314.473 4.072 20 10 DICDRN COc1cc(F)cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)c1 ZINC000841748262 1047448438 /nfs/dbraw/zinc/44/84/38/1047448438.db2.gz INVBQZOXDQQEEG-JTQLQIEISA-N 0 0 309.768 4.044 20 10 DICDRN C[C@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1ccc(Cl)cc1O ZINC000841748203 1047448460 /nfs/dbraw/zinc/44/84/60/1047448460.db2.gz IICPRGQOJHJGBA-APPDUMDISA-N 0 0 302.805 4.243 20 10 DICDRN CCc1cnccc1[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841747859 1047448513 /nfs/dbraw/zinc/44/85/13/1047448513.db2.gz FFFZITQXIUBTCV-RYUDHWBXSA-N 0 0 304.821 4.415 20 10 DICDRN C[C@@H]([NH2+]C1CCC(OC(F)F)CC1)c1ccc(Cl)cc1[O-] ZINC000841752408 1047450026 /nfs/dbraw/zinc/45/00/26/1047450026.db2.gz AOUJTIITQDIRLU-OIKLOGQESA-N 0 0 319.779 4.247 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCCC12CCOCC2)c1ccc(Cl)cc1[O-] ZINC000841750961 1047450708 /nfs/dbraw/zinc/45/07/08/1047450708.db2.gz DEZXMDQBWGYBNV-BLLLJJGKSA-N 0 0 309.837 4.046 20 10 DICDRN Cc1csc([C@H](C)C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])n1 ZINC000841751744 1047451802 /nfs/dbraw/zinc/45/18/02/1047451802.db2.gz CPRUNGWKGMEZNN-MWLCHTKSSA-N 0 0 310.850 4.265 20 10 DICDRN Cc1cnc([C@@H](C)C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])s1 ZINC000841753746 1047451979 /nfs/dbraw/zinc/45/19/79/1047451979.db2.gz VOMMEVHEEKCIOL-ONGXEEELSA-N 0 0 310.850 4.265 20 10 DICDRN C[C@@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)c1ccc(Cl)cc1[O-] ZINC000841753059 1047452033 /nfs/dbraw/zinc/45/20/33/1047452033.db2.gz RTALWCJCYFFFTN-JHJVBQTASA-N 0 0 311.853 4.290 20 10 DICDRN C[C@H]([NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)c1ccc(Cl)cc1[O-] ZINC000841753097 1047452391 /nfs/dbraw/zinc/45/23/91/1047452391.db2.gz YDLNJJBDRUFBID-DETPVDSQSA-N 0 0 311.853 4.290 20 10 DICDRN C[C@H]([NH2+]C[C@H]1CCOC2(CCC2)C1)c1ccc(Cl)cc1[O-] ZINC000841758610 1047453378 /nfs/dbraw/zinc/45/33/78/1047453378.db2.gz TYIHXODNJFMWNA-STQMWFEESA-N 0 0 309.837 4.046 20 10 DICDRN CC(C)[C@H]1C[C@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CCO1 ZINC000841757616 1047453765 /nfs/dbraw/zinc/45/37/65/1047453765.db2.gz NVLXWFHGCZWSDN-OGHNNQOOSA-N 0 0 311.853 4.147 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1COCc2ccccc21 ZINC000841890240 1047461696 /nfs/dbraw/zinc/46/16/96/1047461696.db2.gz GPXYOFZNNXGTDZ-OAHLLOKOSA-N 0 0 324.207 4.060 20 10 DICDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC001142525019 1047465259 /nfs/dbraw/zinc/46/52/59/1047465259.db2.gz UBOOLCFQHRPQBG-INIZCTEOSA-N 0 0 307.315 4.147 20 10 DICDRN CCC[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)C(C)C ZINC001142840469 1047502061 /nfs/dbraw/zinc/50/20/61/1047502061.db2.gz CTIDOFLDAIJPSS-LJQANCHMSA-N 0 0 316.489 4.365 20 10 DICDRN CC(C)[C@H](Cc1nc(Cc2ccc(N)cc2)no1)c1ccccc1 ZINC000843158313 1047529591 /nfs/dbraw/zinc/52/95/91/1047529591.db2.gz BEVQXAFHCGKBOO-SFHVURJKSA-N 0 0 321.424 4.225 20 10 DICDRN CC[C@H](Cc1ccccc1C)c1nc(Cc2ccc(N)cc2)no1 ZINC000843159895 1047529861 /nfs/dbraw/zinc/52/98/61/1047529861.db2.gz CGJVKVPLZDLBOG-MRXNPFEDSA-N 0 0 321.424 4.287 20 10 DICDRN Cc1ccc(C2(c3nc(Cc4ccc(N)cc4)no3)CCC2)cc1 ZINC000843160581 1047530184 /nfs/dbraw/zinc/53/01/84/1047530184.db2.gz KIDVMUWQLCVZQX-UHFFFAOYSA-N 0 0 319.408 4.021 20 10 DICDRN CN(CC(=O)c1ccccc1)Cc1cccc(C(C)(C)C)c1O ZINC001143111884 1047532480 /nfs/dbraw/zinc/53/24/80/1047532480.db2.gz HMEJRPDNLKTNIK-UHFFFAOYSA-N 0 0 311.425 4.004 20 10 DICDRN Cc1cccc([C@@H](c2noc(Cc3ccc(N)cc3)n2)C(C)C)c1 ZINC000843234145 1047534516 /nfs/dbraw/zinc/53/45/16/1047534516.db2.gz LSJGUUZVAOLNGC-IBGZPJMESA-N 0 0 321.424 4.339 20 10 DICDRN Cc1ccc([C@@H](c2noc(Cc3ccc(N)cc3)n2)C(C)C)cc1 ZINC000843230720 1047535269 /nfs/dbraw/zinc/53/52/69/1047535269.db2.gz SRBSMSYERPIPTJ-IBGZPJMESA-N 0 0 321.424 4.339 20 10 DICDRN CCc1cccc(CC)c1NC(=S)NCc1ccc(C)cn1 ZINC000843280758 1047538743 /nfs/dbraw/zinc/53/87/43/1047538743.db2.gz KVSTVOYYQPFZDL-UHFFFAOYSA-N 0 0 313.470 4.001 20 10 DICDRN COc1ccc([C@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1C ZINC000926903404 1047579104 /nfs/dbraw/zinc/57/91/04/1047579104.db2.gz VCDWNAWTFSUKFR-NWDGAFQWSA-N 0 0 321.367 4.399 20 10 DICDRN C[C@H](NC(=O)C(C)(C)c1cccc(Cl)c1)c1ccccc1O ZINC001151891899 1047603218 /nfs/dbraw/zinc/60/32/18/1047603218.db2.gz DKAFNVKYJICPHP-LBPRGKRZSA-N 0 0 317.816 4.201 20 10 DICDRN C[C@@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccccc1O ZINC001151885724 1047603343 /nfs/dbraw/zinc/60/33/43/1047603343.db2.gz DPMKCGLQBCNGSY-OAHLLOKOSA-N 0 0 309.409 4.081 20 10 DICDRN C[C@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccccc1O ZINC001151891905 1047603505 /nfs/dbraw/zinc/60/35/05/1047603505.db2.gz DPMKCGLQBCNGSY-HNNXBMFYSA-N 0 0 309.409 4.081 20 10 DICDRN CC[C@H]([NH2+]Cc1nc2c(s1)CCCC2)c1ccc(F)cc1[O-] ZINC000926921468 1047607573 /nfs/dbraw/zinc/60/75/73/1047607573.db2.gz UQQDLUBCQCYZEH-ZDUSSCGKSA-N 0 0 320.433 4.108 20 10 DICDRN C/C=C(/C)C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC001152395538 1047610806 /nfs/dbraw/zinc/61/08/06/1047610806.db2.gz MVMRZRIAJUOYFY-SSTBGOPISA-N 0 0 309.409 4.448 20 10 DICDRN Cc1ccc(N(c2ccc(N)cc2)c2ccc(N)cc2)c(C)n1 ZINC001203376501 1047619142 /nfs/dbraw/zinc/61/91/42/1047619142.db2.gz MSXCTKGFUOURSU-UHFFFAOYSA-N 0 0 304.397 4.333 20 10 DICDRN O=C(NCc1ccccc1O)c1ccc2oc3ccccc3c2c1 ZINC001153946613 1047636656 /nfs/dbraw/zinc/63/66/56/1047636656.db2.gz OOJVOUORYZDUQU-UHFFFAOYSA-N 0 0 317.344 4.222 20 10 DICDRN CCC(C)(C)CNC(=O)c1sccc1-n1c(C)ccc1C ZINC001154239881 1047643056 /nfs/dbraw/zinc/64/30/56/1047643056.db2.gz YTJXZMJPPJVNAU-UHFFFAOYSA-N 0 0 304.459 4.322 20 10 DICDRN C[C@@H](NC(=O)C1=CCC(C)(C)CC1)c1ccc(N(C)C)cc1 ZINC001154668414 1047654315 /nfs/dbraw/zinc/65/43/15/1047654315.db2.gz GOVRFSVFMVRZKC-CQSZACIVSA-N 0 0 300.446 4.066 20 10 DICDRN CCN(Cc1ccccc1O)C(F)(F)c1ccc(Cl)nc1 ZINC001154880583 1047659764 /nfs/dbraw/zinc/65/97/64/1047659764.db2.gz AWIYPRCRXZKLMZ-UHFFFAOYSA-N 0 0 312.747 4.012 20 10 DICDRN CCN(Cc1ccccc1O)c1nccc2c(Cl)ccnc21 ZINC001154889707 1047660489 /nfs/dbraw/zinc/66/04/89/1047660489.db2.gz FPTZEYVSASHRLC-UHFFFAOYSA-N 0 0 313.788 4.015 20 10 DICDRN CCN(Cc1ccccc1O)c1nc(Cl)cc(C(C)(C)C)n1 ZINC001154888722 1047660872 /nfs/dbraw/zinc/66/08/72/1047660872.db2.gz JJUOLCSNMBHXMF-UHFFFAOYSA-N 0 0 319.836 4.160 20 10 DICDRN CCN(Cc1ccccc1O)c1cc2c(Cl)ccnc2cn1 ZINC001154888358 1047660875 /nfs/dbraw/zinc/66/08/75/1047660875.db2.gz AWKYOMASCBXTON-UHFFFAOYSA-N 0 0 313.788 4.015 20 10 DICDRN CCN(Cc1ccccc1O)c1nccc2cc(Cl)ncc21 ZINC001154890407 1047661276 /nfs/dbraw/zinc/66/12/76/1047661276.db2.gz ZASCTRDQJYMURA-UHFFFAOYSA-N 0 0 313.788 4.015 20 10 DICDRN CCN(Cc1ccccc1O)c1cc2nccc(Cl)c2cn1 ZINC001154890204 1047661293 /nfs/dbraw/zinc/66/12/93/1047661293.db2.gz SRLBTKFCCGRAIJ-UHFFFAOYSA-N 0 0 313.788 4.015 20 10 DICDRN CCN(Cc1ccccc1O)c1nc(C)nc2scc(C)c21 ZINC001154890981 1047661338 /nfs/dbraw/zinc/66/13/38/1047661338.db2.gz YVQRFMQTSXGWHY-UHFFFAOYSA-N 0 0 313.426 4.040 20 10 DICDRN CCN(Cc1ccccc1O)c1c(C)nc(C2CC2)nc1Cl ZINC001154890720 1047661504 /nfs/dbraw/zinc/66/15/04/1047661504.db2.gz LCGRFUPBAKKXAD-UHFFFAOYSA-N 0 0 317.820 4.048 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1cccc(F)c1C ZINC001155704708 1047687713 /nfs/dbraw/zinc/68/77/13/1047687713.db2.gz NUWNYIDWGMJENS-UHFFFAOYSA-N 0 0 315.388 4.282 20 10 DICDRN C[C@@H]1CC(C)(C)c2cccc(NC(=O)C3=CC(=O)CS3)c21 ZINC001156315578 1047707724 /nfs/dbraw/zinc/70/77/24/1047707724.db2.gz UIALBBFXJOBGRD-SNVBAGLBSA-N 0 0 301.411 4.491 20 10 DICDRN O=C(NCc1c(O)ccc2ccccc21)[C@H]1CCCC2(CC2)C1 ZINC001157051605 1047733821 /nfs/dbraw/zinc/73/38/21/1047733821.db2.gz WBHLXOFYCZXFNQ-HNNXBMFYSA-N 0 0 309.409 4.132 20 10 DICDRN Cc1ccc(C)n1-c1ccc(-c2noc(-c3ccsn3)n2)cc1 ZINC001213013082 1047777053 /nfs/dbraw/zinc/77/70/53/1047777053.db2.gz ZTZGKAPAQGRAIX-UHFFFAOYSA-N 0 0 322.393 4.268 20 10 DICDRN CC[C@H]([NH2+][C@H](c1cnn(C)c1)C(C)C)c1cccc(Cl)c1[O-] ZINC000927070103 1047796614 /nfs/dbraw/zinc/79/66/14/1047796614.db2.gz NVAGHMLMCPDHOP-HOTGVXAUSA-N 0 0 321.852 4.217 20 10 DICDRN Cc1ccc2nc(Cl)cc(NCc3ccc(O)c(O)c3)c2c1 ZINC001158995477 1047807237 /nfs/dbraw/zinc/80/72/37/1047807237.db2.gz GBRQXXYYGIHJSI-UHFFFAOYSA-N 0 0 314.772 4.220 20 10 DICDRN Oc1ccc(CNc2ccc3c(Cl)ccc(F)c3n2)cc1O ZINC001159006232 1047807484 /nfs/dbraw/zinc/80/74/84/1047807484.db2.gz WAZOXUDHRBZXLN-UHFFFAOYSA-N 0 0 318.735 4.051 20 10 DICDRN Cc1cc(NCc2ccc(O)c(O)c2)nc2c(Cl)cccc12 ZINC001158997626 1047808310 /nfs/dbraw/zinc/80/83/10/1047808310.db2.gz MLQWOHPAENBUTK-UHFFFAOYSA-N 0 0 314.772 4.220 20 10 DICDRN Nc1ccc(Nc2cc3ccc(Br)cc3cn2)cc1 ZINC001159133664 1047815442 /nfs/dbraw/zinc/81/54/42/1047815442.db2.gz FMMWHQCOHVPEBL-UHFFFAOYSA-N 0 0 314.186 4.323 20 10 DICDRN Nc1ccc(Nc2cc3cc(Br)ccc3cn2)cc1 ZINC001159233821 1047822653 /nfs/dbraw/zinc/82/26/53/1047822653.db2.gz AOANIWSXJVIERV-UHFFFAOYSA-N 0 0 314.186 4.323 20 10 DICDRN Nc1ccc(Nc2cc3ccccc3c(Br)n2)cc1 ZINC001159260185 1047824931 /nfs/dbraw/zinc/82/49/31/1047824931.db2.gz IRFQYPCDPQXTAR-UHFFFAOYSA-N 0 0 314.186 4.323 20 10 DICDRN COc1cc(Nc2ccc(NCc3ccccc3)cc2)c(N)cn1 ZINC001159304955 1047827588 /nfs/dbraw/zinc/82/75/88/1047827588.db2.gz FNJAWLAOMGXUKC-UHFFFAOYSA-N 0 0 320.396 4.028 20 10 DICDRN COC(=O)c1cc(C)c(C(F)(F)F)cc1Nc1ccc(N)cc1 ZINC001159442912 1047846272 /nfs/dbraw/zinc/84/62/72/1047846272.db2.gz FAIRHSMDPMSMDY-UHFFFAOYSA-N 0 0 324.302 4.126 20 10 DICDRN CCCN(CCC)C(=O)c1cccc(Nc2ccc(N)cc2)c1 ZINC001159485275 1047854417 /nfs/dbraw/zinc/85/44/17/1047854417.db2.gz JUWFEMKDHVKIDS-UHFFFAOYSA-N 0 0 311.429 4.275 20 10 DICDRN Nc1ccc(Nc2ccc(OC(F)(F)C(F)F)cc2)cc1 ZINC001159496045 1047856300 /nfs/dbraw/zinc/85/63/00/1047856300.db2.gz GSKPWZQMJDRTPM-UHFFFAOYSA-N 0 0 300.255 4.249 20 10 DICDRN Nc1cc(Nc2ccc3c(c2)CCCN3)cc(C(F)(F)F)c1 ZINC001159505106 1047856945 /nfs/dbraw/zinc/85/69/45/1047856945.db2.gz SNLCBQKZNFULRY-UHFFFAOYSA-N 0 0 307.319 4.389 20 10 DICDRN Fc1cc(Br)ccc1Nc1ccc2c(c1)CCN2 ZINC001159522670 1047859327 /nfs/dbraw/zinc/85/93/27/1047859327.db2.gz NQIUZZASAIOEOD-UHFFFAOYSA-N 0 0 307.166 4.300 20 10 DICDRN CC(C)Oc1c(F)ccc(Nc2ccc3c(c2)CCN3)c1F ZINC001159522661 1047860076 /nfs/dbraw/zinc/86/00/76/1047860076.db2.gz NIPICZVFOYVWEZ-UHFFFAOYSA-N 0 0 304.340 4.464 20 10 DICDRN NC(=O)c1ccccc1Nc1ccc(NCc2ccccc2)cc1 ZINC001159549294 1047866028 /nfs/dbraw/zinc/86/60/28/1047866028.db2.gz VUDYLHKVYBFROG-UHFFFAOYSA-N 0 0 317.392 4.141 20 10 DICDRN Nc1ccc(Nc2ccc(Br)c3ccncc23)cc1 ZINC001159662718 1047897155 /nfs/dbraw/zinc/89/71/55/1047897155.db2.gz AWRKEYHSFUESJZ-UHFFFAOYSA-N 0 0 314.186 4.323 20 10 DICDRN [O-]c1cc(F)c(F)cc1C[NH2+]Cc1csc(C(F)(F)F)c1 ZINC001183187763 1047901279 /nfs/dbraw/zinc/90/12/79/1047901279.db2.gz GRHJXFYEELTKAK-UHFFFAOYSA-N 0 0 323.286 4.041 20 10 DICDRN Nc1ccc(N(c2ccccc2)c2cnc(N)c(Cl)c2)cc1 ZINC001159703454 1047904782 /nfs/dbraw/zinc/90/47/82/1047904782.db2.gz JUHOWLYLTZBJCT-UHFFFAOYSA-N 0 0 310.788 4.369 20 10 DICDRN Cc1cc(O)ccc1N(c1ccc(N)cc1)c1ccc(N)cc1 ZINC001174563464 1047905475 /nfs/dbraw/zinc/90/54/75/1047905475.db2.gz FQTLGGIPEGTGDE-UHFFFAOYSA-N 0 0 305.381 4.335 20 10 DICDRN Oc1ccccc1CN1CC[C@H](Cc2ccccc2)C(F)(F)C1 ZINC001203562254 1047911988 /nfs/dbraw/zinc/91/19/88/1047911988.db2.gz GFDBOASBZAGMMC-QGZVFWFLSA-N 0 0 317.379 4.092 20 10 DICDRN Nc1ccc(Cc2ccccc2Nc2cc(F)ccc2O)cc1 ZINC001174627979 1047913580 /nfs/dbraw/zinc/91/35/80/1047913580.db2.gz MHIXQMCYDKBZKQ-UHFFFAOYSA-N 0 0 308.356 4.448 20 10 DICDRN COc1cc(OC)c(Cl)c(Nc2ccc(N)cc2)c1Cl ZINC001159782510 1047924601 /nfs/dbraw/zinc/92/46/01/1047924601.db2.gz HQRRTNZXNPSIPL-UHFFFAOYSA-N 0 0 313.184 4.336 20 10 DICDRN C[C@H]1CCC[C@H](C2CN(Cc3cc(F)c(N(C)C)cc3F)C2)C1 ZINC001183442859 1047927509 /nfs/dbraw/zinc/92/75/09/1047927509.db2.gz GYZVSCLRWXGRPC-KBPBESRZSA-N 0 0 322.443 4.289 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H](CF)c1ccc(F)cc1 ZINC001183427848 1047927797 /nfs/dbraw/zinc/92/77/97/1047927797.db2.gz CPQLPJXREMUBHD-CQSZACIVSA-N 0 0 315.722 4.124 20 10 DICDRN CNc1ccc(Nc2ccc(OC(F)(F)F)cc2OC)cc1 ZINC001159828626 1047932991 /nfs/dbraw/zinc/93/29/91/1047932991.db2.gz GBBXTKWWLHUXCI-UHFFFAOYSA-N 0 0 312.291 4.379 20 10 DICDRN C[C@H](C(=O)NCc1ccccc1O)c1ccc(F)c2ccccc21 ZINC001183504616 1047938504 /nfs/dbraw/zinc/93/85/04/1047938504.db2.gz GJKJXUVRZHEQEB-ZDUSSCGKSA-N 0 0 323.367 4.104 20 10 DICDRN Cc1cc(Nc2cc(Cl)c(Cl)c(Cl)c2[O-])cc[nH+]1 ZINC001174659775 1047939150 /nfs/dbraw/zinc/93/91/50/1047939150.db2.gz BTWHRIYUQZQGKT-UHFFFAOYSA-N 0 0 303.576 4.221 20 10 DICDRN Cc1cc(C)c(CNC(=O)c2ccc(C)c(Cl)c2C)c(O)c1 ZINC001198242222 1047940320 /nfs/dbraw/zinc/94/03/20/1047940320.db2.gz WAWYPZHKDFIORD-UHFFFAOYSA-N 0 0 317.816 4.209 20 10 DICDRN CCCCc1nc(CN[C@@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000775836025 1047941678 /nfs/dbraw/zinc/94/16/78/1047941678.db2.gz XKVRMALVQOFODO-AWEZNQCLSA-N 0 0 317.502 4.403 20 10 DICDRN CCCCN(C(=O)c1ccc(C)c(O)c1O)[C@@H]1CCC[C@H](C)C1 ZINC001159889990 1047941894 /nfs/dbraw/zinc/94/18/94/1047941894.db2.gz CHLCSGQDIWSZNH-DZGCQCFKSA-N 0 0 319.445 4.227 20 10 DICDRN Nc1ccc(Nc2ccc3[nH]c(=O)cc(C(F)(F)F)c3c2)cc1 ZINC001159901066 1047945364 /nfs/dbraw/zinc/94/53/64/1047945364.db2.gz RYFVFYMWGDIZLZ-UHFFFAOYSA-N 0 0 319.286 4.285 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H](c1cccs1)C1CC1 ZINC000775850864 1047959276 /nfs/dbraw/zinc/95/92/76/1047959276.db2.gz NFIFLRBIJXNIID-AWEZNQCLSA-N 0 0 311.809 4.487 20 10 DICDRN Cc1cccc(CNC(=S)Nc2ccc(C(C)(C)C)cc2)n1 ZINC001198465925 1047960624 /nfs/dbraw/zinc/96/06/24/1047960624.db2.gz ZDMQVOVJWIYSRM-UHFFFAOYSA-N 0 0 313.470 4.174 20 10 DICDRN COc1ccc(Nc2ccc3c(c2)CCCN3)c2ccncc12 ZINC001159973076 1047961986 /nfs/dbraw/zinc/96/19/86/1047961986.db2.gz QDBVDOARQRYQSA-UHFFFAOYSA-N 0 0 305.381 4.345 20 10 DICDRN Cc1ccc(CNC(=S)Nc2ccc(C(C)(C)C)cc2)nc1 ZINC001198496095 1047963735 /nfs/dbraw/zinc/96/37/35/1047963735.db2.gz QRZREVTYHQBHSK-UHFFFAOYSA-N 0 0 313.470 4.174 20 10 DICDRN CC(C)(C)c1ccc(NC(=S)NCc2ccc(F)cn2)cc1 ZINC001198503895 1047966094 /nfs/dbraw/zinc/96/60/94/1047966094.db2.gz MOFUZJBXSLJBDQ-UHFFFAOYSA-N 0 0 317.433 4.005 20 10 DICDRN COc1cc(C)c(Nc2ccc(N)cc2)cc1Br ZINC001160022034 1047971761 /nfs/dbraw/zinc/97/17/61/1047971761.db2.gz SMDPRESCDQYWPQ-UHFFFAOYSA-N 0 0 307.191 4.092 20 10 DICDRN CC(C)(CC(=O)NCc1ccccc1O)c1ccccc1Cl ZINC001183890826 1047975375 /nfs/dbraw/zinc/97/53/75/1047975375.db2.gz NFLHFIGVJXXXDH-UHFFFAOYSA-N 0 0 317.816 4.030 20 10 DICDRN Oc1ccc(OC(F)(F)F)cc1Nc1ccc2c(c1)CCCN2 ZINC001160033858 1047976714 /nfs/dbraw/zinc/97/67/14/1047976714.db2.gz WITIKPIECLOWEN-UHFFFAOYSA-N 0 0 324.302 4.393 20 10 DICDRN CC(C)c1ccc(NC(=S)NCc2ncccc2Cl)cc1 ZINC001198628766 1047987433 /nfs/dbraw/zinc/98/74/33/1047987433.db2.gz PKODOWMQKDLBKL-UHFFFAOYSA-N 0 0 319.861 4.345 20 10 DICDRN Cc1ccc(F)c(CNC(=S)Nc2ccc(C(C)C)cc2)n1 ZINC001198629895 1047987444 /nfs/dbraw/zinc/98/74/44/1047987444.db2.gz CMERTGNWAUZGEZ-UHFFFAOYSA-N 0 0 317.433 4.139 20 10 DICDRN Oc1cc2ccccc2cc1CNc1nccc2cnccc21 ZINC001160205812 1047995224 /nfs/dbraw/zinc/99/52/24/1047995224.db2.gz BPAKTMOIVKAFHA-UHFFFAOYSA-N 0 0 301.349 4.101 20 10 DICDRN CCc1cc(Cl)nc(NCc2cc3ccccc3cc2O)n1 ZINC001160206187 1047995504 /nfs/dbraw/zinc/99/55/04/1047995504.db2.gz GUAYVSBJQORQSP-UHFFFAOYSA-N 0 0 313.788 4.163 20 10 DICDRN CCCc1cc(NCc2cc3ccccc3cc2O)nc(C)n1 ZINC001160206946 1047995782 /nfs/dbraw/zinc/99/57/82/1047995782.db2.gz OTPZGGBYFGBTOG-UHFFFAOYSA-N 0 0 307.397 4.208 20 10 DICDRN Oc1cc2ccccc2cc1CNc1nccc2scnc21 ZINC001160206949 1047996202 /nfs/dbraw/zinc/99/62/02/1047996202.db2.gz OVTVJQQHYMCPQO-UHFFFAOYSA-N 0 0 307.378 4.162 20 10 DICDRN Oc1cc2ccccc2cc1CNc1ccc2ncccc2n1 ZINC001160207902 1047996754 /nfs/dbraw/zinc/99/67/54/1047996754.db2.gz VRUUHJNBEGCQJO-UHFFFAOYSA-N 0 0 301.349 4.101 20 10 DICDRN Cc1ccc(O)c(CNc2ccc(N3CCCC3)c(F)c2)c1 ZINC000103855690 1048007485 /nfs/dbraw/zinc/00/74/85/1048007485.db2.gz OEQRYKDTXVIEAT-UHFFFAOYSA-N 0 0 300.377 4.052 20 10 DICDRN CN(c1ccc(N)cc1)c1ccc(OC(F)(F)F)c(F)c1 ZINC001213021847 1048023104 /nfs/dbraw/zinc/02/31/04/1048023104.db2.gz FSGVPJODGYBZJU-UHFFFAOYSA-N 0 0 300.255 4.074 20 10 DICDRN CC(C)N(c1ccc(N)cc1)c1cc(Br)ccc1N ZINC001160316252 1048030548 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CC(C)Oc1cccc(C[NH2+]Cc2cccc(Cl)c2[O-])c1 ZINC000776024535 1048099495 /nfs/dbraw/zinc/09/94/95/1048099495.db2.gz FVSXBOBGRCIEFW-UHFFFAOYSA-N 0 0 305.805 4.123 20 10 DICDRN CCN(CC)c1ccc(CNc2ccnc(C(C)(C)C)n2)cc1 ZINC001184927599 1048106277 /nfs/dbraw/zinc/10/62/77/1048106277.db2.gz NWWVBQLSSLBAGP-UHFFFAOYSA-N 0 0 312.461 4.232 20 10 DICDRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001199905496 1048113000 /nfs/dbraw/zinc/11/30/00/1048113000.db2.gz AZOQJGKTBVIBBX-XJKCOSOUSA-N 0 0 311.416 4.468 20 10 DICDRN C[C@@H](CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)C1CC1 ZINC001185017413 1048113550 /nfs/dbraw/zinc/11/35/50/1048113550.db2.gz LIAMRWIAMQIPET-ZDUSSCGKSA-N 0 0 324.380 4.284 20 10 DICDRN CC(C)Cn1ncc(NCc2ccc(N(C)C)cc2)c1C(C)C ZINC000774826065 1048124196 /nfs/dbraw/zinc/12/41/96/1048124196.db2.gz HDPSAETXVZBZPY-UHFFFAOYSA-N 0 0 314.477 4.341 20 10 DICDRN COc1ccc(NCc2ccc(C)cc2O)c(Br)c1 ZINC001205883043 1048134038 /nfs/dbraw/zinc/13/40/38/1048134038.db2.gz 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1048284887 /nfs/dbraw/zinc/28/48/87/1048284887.db2.gz ALRDJLDEQJKFSA-UHFFFAOYSA-N 0 0 313.401 4.218 20 10 DICDRN COC(=O)c1c(F)cc(F)cc1Nc1ccc(NC(C)C)cc1 ZINC001201500278 1048286154 /nfs/dbraw/zinc/28/61/54/1048286154.db2.gz XMBHCUPROUUNMH-UHFFFAOYSA-N 0 0 320.339 4.315 20 10 DICDRN COC(=O)C1(c2ccc(Nc3ccc(NC(C)C)cc3)cc2)CC1 ZINC001201499879 1048287290 /nfs/dbraw/zinc/28/72/90/1048287290.db2.gz SHMZHCDIHJBYDZ-UHFFFAOYSA-N 0 0 324.424 4.455 20 10 DICDRN COC(=O)c1c(F)ccc(Nc2ccc(NC(C)C)cc2)c1C ZINC001201498964 1048287434 /nfs/dbraw/zinc/28/74/34/1048287434.db2.gz IMWZEJKNATUTTB-UHFFFAOYSA-N 0 0 316.376 4.485 20 10 DICDRN COC(=O)Cc1ccc(F)c(Nc2ccc(NC(C)C)cc2)c1 ZINC001201504211 1048289099 /nfs/dbraw/zinc/28/90/99/1048289099.db2.gz CQEYKUXXNKFQMH-UHFFFAOYSA-N 0 0 316.376 4.105 20 10 DICDRN COc1ncc(N(Cc2ccccc2)c2ccc(N)cc2)s1 ZINC001175394875 1048295309 /nfs/dbraw/zinc/29/53/09/1048295309.db2.gz ZJCINSUDUNNQGD-UHFFFAOYSA-N 0 0 311.410 4.072 20 10 DICDRN Nc1ccc(N(c2ccccc2)c2cnc3n[nH]cc3c2)cc1 ZINC001175404766 1048298089 /nfs/dbraw/zinc/29/80/89/1048298089.db2.gz MTOTYZUMCRDAHE-UHFFFAOYSA-N 0 0 301.353 4.010 20 10 DICDRN COc1cc(SC)ccc1NCc1ccc(N(C)C)c(F)c1 ZINC000775032252 1048318295 /nfs/dbraw/zinc/31/82/95/1048318295.db2.gz GVEVBYOCRCTPKC-UHFFFAOYSA-N 0 0 320.433 4.234 20 10 DICDRN CC(C)CCOC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC001186714988 1048333524 /nfs/dbraw/zinc/33/35/24/1048333524.db2.gz RQDRSMNMADRLNC-UHFFFAOYSA-N 0 0 318.461 4.195 20 10 DICDRN CSc1ccccc1NC(=O)NCc1c(C)cc(C)cc1O ZINC001186765799 1048344531 /nfs/dbraw/zinc/34/45/31/1048344531.db2.gz HNZLYFYNWORURL-UHFFFAOYSA-N 0 0 316.426 4.053 20 10 DICDRN Nc1ccc(CCc2ccc(Nc3cccc(CO)c3)cc2)cc1 ZINC001175513297 1048348830 /nfs/dbraw/zinc/34/88/30/1048348830.db2.gz TXRPFHIDUHVACN-UHFFFAOYSA-N 0 0 318.420 4.290 20 10 DICDRN Oc1ccc(Cl)cc1CNc1ncncc1-c1ccccc1 ZINC001186952012 1048362103 /nfs/dbraw/zinc/36/21/03/1048362103.db2.gz HSHINQVUAOFEMV-UHFFFAOYSA-N 0 0 311.772 4.115 20 10 DICDRN Nc1ccc(Cc2ccc(Nc3cnn(C(F)F)c3)cc2)cc1 ZINC001201741365 1048363144 /nfs/dbraw/zinc/36/31/44/1048363144.db2.gz GFQJKEXXEWVGEO-UHFFFAOYSA-N 0 0 314.339 4.195 20 10 DICDRN O=C1c2ccccc2-c2cccc(Nc3ccc(CO)cc3)c21 ZINC001175568480 1048373065 /nfs/dbraw/zinc/37/30/65/1048373065.db2.gz NPLGCDOHYLEUMW-UHFFFAOYSA-N 0 0 301.345 4.134 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cccc(Cl)c1F ZINC000776224201 1048397196 /nfs/dbraw/zinc/39/71/96/1048397196.db2.gz RADKTORTLSKFNH-UHFFFAOYSA-N 0 0 300.160 4.128 20 10 DICDRN CSCCCCCC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001201970144 1048413372 /nfs/dbraw/zinc/41/33/72/1048413372.db2.gz DYQZHLYRIRSQGN-UHFFFAOYSA-N 0 0 305.846 4.198 20 10 DICDRN CCc1ccccc1NC(=O)NCc1cc2ccccc2cc1O ZINC001187656566 1048419426 /nfs/dbraw/zinc/41/94/26/1048419426.db2.gz TTXDTQAHEKXFQU-UHFFFAOYSA-N 0 0 320.392 4.430 20 10 DICDRN Cc1ccc2sc(NCc3c(O)cccc3F)nc2c1C ZINC001187677203 1048424746 /nfs/dbraw/zinc/42/47/46/1048424746.db2.gz KZWMNIHROZALKW-UHFFFAOYSA-N 0 0 302.374 4.370 20 10 DICDRN Cc1c(Br)cccc1C[NH2+][C@H](C)c1ccccc1O ZINC000775137066 1048426328 /nfs/dbraw/zinc/42/63/28/1048426328.db2.gz SJGNIYQKQTXKGK-GFCCVEGCSA-N 0 0 320.230 4.314 20 10 DICDRN Cc1cc(C)c(CNC(=O)Nc2ccc(F)c(Cl)c2)c(O)c1 ZINC001187715603 1048432113 /nfs/dbraw/zinc/43/21/13/1048432113.db2.gz WTFPKZPVFDIOGL-UHFFFAOYSA-N 0 0 322.767 4.123 20 10 DICDRN COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000776232507 1048432336 /nfs/dbraw/zinc/43/23/36/1048432336.db2.gz ZGPQWPYBLHJGRC-CHWSQXEVSA-N 0 0 319.832 4.336 20 10 DICDRN CCCCc1ccc(NC(=O)N2CCc3cccc(O)c3C2)cc1 ZINC001187738073 1048437578 /nfs/dbraw/zinc/43/75/78/1048437578.db2.gz IIYVQJNEXLJHIH-UHFFFAOYSA-N 0 0 324.424 4.325 20 10 DICDRN CC(C)[C@@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776245133 1048457265 /nfs/dbraw/zinc/45/72/65/1048457265.db2.gz MGFPRAGSCDZPHO-YJBOKZPZSA-N 0 0 317.477 4.034 20 10 DICDRN CC(C)[C@@H](C)N(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000776245915 1048463903 /nfs/dbraw/zinc/46/39/03/1048463903.db2.gz ILVPEENOWHSNMN-LSDHHAIUSA-N 0 0 317.477 4.032 20 10 DICDRN CO[C@@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776254909 1048466841 /nfs/dbraw/zinc/46/68/41/1048466841.db2.gz NVBBHZFLUQICOL-APPDUMDISA-N 0 0 323.795 4.051 20 10 DICDRN C[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1O ZINC001202173951 1048469993 /nfs/dbraw/zinc/46/99/93/1048469993.db2.gz ZHQCXOQVOOOOFN-SNVBAGLBSA-N 0 0 324.302 4.294 20 10 DICDRN C[C@@H](NC(=O)N1CCCC(C)(C)CC1)c1ccc(N(C)C)cc1 ZINC000776248924 1048470691 /nfs/dbraw/zinc/47/06/91/1048470691.db2.gz LLNPPLOPJLZUPO-OAHLLOKOSA-N 0 0 317.477 4.035 20 10 DICDRN COc1cccnc1N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001163487882 1048477023 /nfs/dbraw/zinc/47/70/23/1048477023.db2.gz WUUPJIMLBLPABL-KRWDZBQOSA-N 0 0 312.413 4.148 20 10 DICDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2Nc1ccc(C2CC2)nn1 ZINC001163487708 1048477395 /nfs/dbraw/zinc/47/73/95/1048477395.db2.gz QRIOXNVVEPKUNU-IBGZPJMESA-N 0 0 323.440 4.412 20 10 DICDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2Nc1cc(Cl)ncn1 ZINC001163487010 1048477414 /nfs/dbraw/zinc/47/74/14/1048477414.db2.gz QYPJSLOJKRORLA-MRXNPFEDSA-N 0 0 317.820 4.188 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000776257538 1048488715 /nfs/dbraw/zinc/48/87/15/1048488715.db2.gz YDKDVYNAFNJTHE-GOEBONIOSA-N 0 0 301.817 4.472 20 10 DICDRN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cccc(O)c1O ZINC001202264046 1048494859 /nfs/dbraw/zinc/49/48/59/1048494859.db2.gz ZVVVBCGNHNADLC-UHFFFAOYSA-N 0 0 313.140 4.049 20 10 DICDRN Cc1cc(C)c(CNC(=O)Nc2cccc(Cl)c2F)c(O)c1 ZINC001188426948 1048507422 /nfs/dbraw/zinc/50/74/22/1048507422.db2.gz ULUKPKTVRRLLRF-UHFFFAOYSA-N 0 0 322.767 4.123 20 10 DICDRN CO[C@@H](CSc1ncc(-c2ccccc2)n1C)C1CCCC1 ZINC001188400077 1048509837 /nfs/dbraw/zinc/50/98/37/1048509837.db2.gz BMXOTQMMJAVFEL-KRWDZBQOSA-N 0 0 316.470 4.384 20 10 DICDRN C[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1O ZINC001202300810 1048514812 /nfs/dbraw/zinc/51/48/12/1048514812.db2.gz UAKRAKOWQQYYNT-SNVBAGLBSA-N 0 0 324.302 4.294 20 10 DICDRN CCN(CC)c1ccc(CNc2ccc3[nH]cnc3c2)cc1F ZINC001202349744 1048519187 /nfs/dbraw/zinc/51/91/87/1048519187.db2.gz FRYGEVAUFUCUJP-UHFFFAOYSA-N 0 0 312.392 4.160 20 10 DICDRN Cc1c2ccccc2n(C)c1CNc1ccc(F)c([C@@H](C)O)c1 ZINC001202350077 1048520059 /nfs/dbraw/zinc/52/00/59/1048520059.db2.gz PMLKTROUBWMTFN-CYBMUJFWSA-N 0 0 312.388 4.291 20 10 DICDRN O=C(NCc1cc2ccccc2cc1O)Nc1ccc(F)cc1 ZINC001202360501 1048530856 /nfs/dbraw/zinc/53/08/56/1048530856.db2.gz FVAFHOLEVIDYOO-UHFFFAOYSA-N 0 0 310.328 4.006 20 10 DICDRN CCc1ccc(NCc2cc(F)c(N(C)C)cc2F)cc1OC ZINC001202436477 1048551841 /nfs/dbraw/zinc/55/18/41/1048551841.db2.gz SXOWDGXMGOELOP-UHFFFAOYSA-N 0 0 320.383 4.214 20 10 DICDRN Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cccc(F)c1F ZINC000776309312 1048563985 /nfs/dbraw/zinc/56/39/85/1048563985.db2.gz BLISFCQEPTUSJJ-CYBMUJFWSA-N 0 0 304.384 4.190 20 10 DICDRN O=C(Nc1cccc(O)c1O)Nc1cccc(Cl)c1Cl ZINC001189227092 1048604712 /nfs/dbraw/zinc/60/47/12/1048604712.db2.gz WQTOBPKWAHFZHN-UHFFFAOYSA-N 0 0 313.140 4.049 20 10 DICDRN C[C@H]1CC[C@@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000776446374 1048606632 /nfs/dbraw/zinc/60/66/32/1048606632.db2.gz FTXYDBGJCCVMRH-FUHWJXTLSA-N 0 0 314.473 4.072 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)c1ccccc1F ZINC000109020283 1048609027 /nfs/dbraw/zinc/60/90/27/1048609027.db2.gz KDTGOMCFDPXKSR-AWEZNQCLSA-N 0 0 315.388 4.074 20 10 DICDRN COC(=O)c1cnc(S[C@H](C)c2ccc(F)cc2F)s1 ZINC001189407739 1048625569 /nfs/dbraw/zinc/62/55/69/1048625569.db2.gz JSPKNPFSNRGEAZ-SSDOTTSWSA-N 0 0 315.366 4.061 20 10 DICDRN COc1cc(CN[C@@H](C)c2cscn2)c(O)c(C(C)(C)C)c1 ZINC000850359603 1048639273 /nfs/dbraw/zinc/63/92/73/1048639273.db2.gz LVHFFEZBABQMPD-NSHDSACASA-N 0 0 320.458 4.006 20 10 DICDRN Cn1c(-c2ccccc2)cnc1SCc1cc(Cl)ccn1 ZINC001165275920 1048672269 /nfs/dbraw/zinc/67/22/69/1048672269.db2.gz MLMBQMGFLANACO-UHFFFAOYSA-N 0 0 315.829 4.428 20 10 DICDRN Clc1cnc(SCc2ccc(-n3ccnc3)cc2)s1 ZINC001189833533 1048672515 /nfs/dbraw/zinc/67/25/15/1048672515.db2.gz XXLSQPHKJHEEPG-UHFFFAOYSA-N 0 0 307.831 4.275 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])c1cscn1 ZINC000850511760 1048675388 /nfs/dbraw/zinc/67/53/88/1048675388.db2.gz MRFAZHXHHJCBGA-DTWKUNHWSA-N 0 0 316.348 4.279 20 10 DICDRN C[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000850525775 1048678748 /nfs/dbraw/zinc/67/87/48/1048678748.db2.gz QRXSERDNBGWHHI-UWVGGRQHSA-N 0 0 316.228 4.061 20 10 DICDRN C[C@@H]([NH2+]CC[C@]1(C)CC1(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000850537473 1048686954 /nfs/dbraw/zinc/68/69/54/1048686954.db2.gz VRGVXBMBOFNFOW-NOZJJQNGSA-N 0 0 323.305 4.497 20 10 DICDRN CC[C@@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1cccc(Cl)c1[O-] ZINC000850542601 1048687727 /nfs/dbraw/zinc/68/77/27/1048687727.db2.gz RTQQMDIODQFBBT-IAGOWNOFSA-N 0 0 317.816 4.479 20 10 DICDRN CC[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1cccc(Cl)c1[O-] ZINC000850552592 1048689621 /nfs/dbraw/zinc/68/96/21/1048689621.db2.gz OCDRCLYATGSJEL-NWDGAFQWSA-N 0 0 303.780 4.378 20 10 DICDRN CC[C@@H]([NH2+]CCC1SCCS1)c1cccc(Cl)c1[O-] ZINC000850568787 1048696477 /nfs/dbraw/zinc/69/64/77/1048696477.db2.gz JPFWPXMUZBKRLU-GFCCVEGCSA-N 0 0 317.907 4.283 20 10 DICDRN C[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000850570466 1048698131 /nfs/dbraw/zinc/69/81/31/1048698131.db2.gz HLJJTJZHOSIUID-VHSXEESVSA-N 0 0 318.244 4.165 20 10 DICDRN CC[C@H]([NH2+]Cc1cccc(OC)c1C)c1ccc(F)cc1[O-] ZINC000850579687 1048701252 /nfs/dbraw/zinc/70/12/52/1048701252.db2.gz YFKBUZHSJZQIFR-INIZCTEOSA-N 0 0 303.377 4.089 20 10 DICDRN CC(C)(C)c1cnc(SCc2nc(C3CCC3)no2)s1 ZINC001165807842 1048717766 /nfs/dbraw/zinc/71/77/66/1048717766.db2.gz BFOZOXKIVBWWOP-UHFFFAOYSA-N 0 0 309.460 4.383 20 10 DICDRN COc1ccc(O)cc1N(c1ccccc1)c1ccc(N)cc1 ZINC001176579954 1048733884 /nfs/dbraw/zinc/73/38/84/1048733884.db2.gz FHEXJGILNLEVMJ-UHFFFAOYSA-N 0 0 306.365 4.453 20 10 DICDRN COc1ccc(O)cc1N(Cc1ccccc1)c1ccc(N)cc1 ZINC001176579877 1048733972 /nfs/dbraw/zinc/73/39/72/1048733972.db2.gz CPBLSBKOEWEHNA-UHFFFAOYSA-N 0 0 320.392 4.321 20 10 DICDRN CCC[C@@H](CC)SCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001166123392 1048735884 /nfs/dbraw/zinc/73/58/84/1048735884.db2.gz QDLKATHIQCTLGZ-QGZVFWFLSA-N 0 0 322.518 4.023 20 10 DICDRN COC(=O)c1cnc(S[C@@H](C)c2ccc(Cl)cc2)s1 ZINC001166234893 1048741604 /nfs/dbraw/zinc/74/16/04/1048741604.db2.gz OBELBTXURPLDGK-QMMMGPOBSA-N 0 0 313.831 4.436 20 10 DICDRN COc1ccc(N(Cc2nc(C)c(C)o2)[C@H](C)C2CC2)cc1 ZINC000109774212 1048742045 /nfs/dbraw/zinc/74/20/45/1048742045.db2.gz FQHJWFMTBYQKNA-CYBMUJFWSA-N 0 0 300.402 4.105 20 10 DICDRN COc1ccc(N(Cc2nc(C)c(C)o2)[C@@H](C)C2CC2)cc1 ZINC000109774209 1048742094 /nfs/dbraw/zinc/74/20/94/1048742094.db2.gz FQHJWFMTBYQKNA-ZDUSSCGKSA-N 0 0 300.402 4.105 20 10 DICDRN Cc1ncc(C[N@H+](Cc2ccccc2O)C2CCCC2)s1 ZINC000109797508 1048742991 /nfs/dbraw/zinc/74/29/91/1048742991.db2.gz ZWGVSZQCGIOAFA-UHFFFAOYSA-N 0 0 302.443 4.102 20 10 DICDRN Cc1ccccc1-c1nc(CSc2ncc(Cl)s2)no1 ZINC001166587433 1048766793 /nfs/dbraw/zinc/76/67/93/1048766793.db2.gz PARWSESYHNUIIE-UHFFFAOYSA-N 0 0 323.830 4.447 20 10 DICDRN O=C1[C@@H](Sc2ncc(Cl)s2)CCCN1c1ccccc1 ZINC001166588456 1048766806 /nfs/dbraw/zinc/76/68/06/1048766806.db2.gz XEHXELHPCWYOTC-NSHDSACASA-N 0 0 324.858 4.084 20 10 DICDRN CC(=O)c1ccccc1OCCSc1ncc(Cl)s1 ZINC001166586977 1048766827 /nfs/dbraw/zinc/76/68/27/1048766827.db2.gz LGCXQAFOKVXZGQ-UHFFFAOYSA-N 0 0 313.831 4.170 20 10 DICDRN CCOc1ccc(C(=O)CSc2ncc(Cl)s2)cc1 ZINC001166587455 1048766903 /nfs/dbraw/zinc/76/69/03/1048766903.db2.gz PGWGGSSKKLIYOP-UHFFFAOYSA-N 0 0 313.831 4.170 20 10 DICDRN CC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccc(OC)cc1 ZINC001177111932 1048831458 /nfs/dbraw/zinc/83/14/58/1048831458.db2.gz FDPJVKIMQJHKGM-MRXNPFEDSA-N 0 0 323.795 4.434 20 10 DICDRN C[C@@H](NC(=O)N1Cc2ccccc2[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000773613384 1048840874 /nfs/dbraw/zinc/84/08/74/1048840874.db2.gz QLFIXRLAHKBITH-CABCVRRESA-N 0 0 323.440 4.100 20 10 DICDRN Cc1cccc(C)c1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775433129 1048842942 /nfs/dbraw/zinc/84/29/42/1048842942.db2.gz PQLZEGAALINCBN-OAHLLOKOSA-N 0 0 311.429 4.252 20 10 DICDRN CC[C@@H]([NH2+][C@H](c1ncccn1)C1CC1)c1cccc(Cl)c1[O-] ZINC000903323898 1048859529 /nfs/dbraw/zinc/85/95/29/1048859529.db2.gz ODTZFLUJINURFX-CABCVRRESA-N 0 0 317.820 4.028 20 10 DICDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1csc(C(F)(F)F)c1 ZINC001203307137 1048863533 /nfs/dbraw/zinc/86/35/33/1048863533.db2.gz KSDCYAKYXKVBTL-UHFFFAOYSA-N 0 0 323.286 4.041 20 10 DICDRN COc1cc(CNc2ccccc2OC)c(O)c(C(C)(C)C)c1 ZINC001177315357 1048869466 /nfs/dbraw/zinc/86/94/66/1048869466.db2.gz WOJBGHJGLGUTHW-UHFFFAOYSA-N 0 0 315.413 4.319 20 10 DICDRN Cc1nocc1COc1ccc(N2CCCCC2)c(Cl)c1 ZINC000853724723 1048917107 /nfs/dbraw/zinc/91/71/07/1048917107.db2.gz BOFOFMBGYXDLIZ-UHFFFAOYSA-N 0 0 306.793 4.206 20 10 DICDRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001177571430 1048917762 /nfs/dbraw/zinc/91/77/62/1048917762.db2.gz XDXPMDGJSLGGIL-CKEIUWERSA-N 0 0 320.433 4.098 20 10 DICDRN Oc1ccccc1CN1CC[C@H](c2ccccc2)C(F)(F)C1 ZINC001203563227 1048930505 /nfs/dbraw/zinc/93/05/05/1048930505.db2.gz VXLHRCPBOUQSCR-MRXNPFEDSA-N 0 0 303.352 4.017 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CC2CCC(CC2)C1 ZINC001203582115 1048937630 /nfs/dbraw/zinc/93/76/30/1048937630.db2.gz QXXQVQAZILNDIW-UHFFFAOYSA-N 0 0 300.229 4.321 20 10 DICDRN Cc1ccccc1C[N@@H+](C)Cc1cc(Br)ccc1O ZINC001203643050 1048945507 /nfs/dbraw/zinc/94/55/07/1048945507.db2.gz QSGAFDGWJZFGGI-UHFFFAOYSA-N 0 0 320.230 4.095 20 10 DICDRN CCn1cc(/C=C(/Cl)c2nc3cc(F)ccc3n2CC)cn1 ZINC000111998965 1048946411 /nfs/dbraw/zinc/94/64/11/1048946411.db2.gz LVKBGRKFIZMFDS-NTUHNPAUSA-N 0 0 318.783 4.149 20 10 DICDRN C[N@H+](Cc1cc(Cl)ccc1[O-])C12CC3CC(CC(C3)C1)C2 ZINC001203657210 1048950243 /nfs/dbraw/zinc/95/02/43/1048950243.db2.gz HPUCVGYLFXPBFJ-UHFFFAOYSA-N 0 0 305.849 4.446 20 10 DICDRN CC[C@@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1cc(Cl)ccc1O ZINC000854227601 1048955579 /nfs/dbraw/zinc/95/55/79/1048955579.db2.gz WNVKORZBYCANPQ-IAGOWNOFSA-N 0 0 316.832 4.356 20 10 DICDRN C(=C/c1ccccc1)\CN(CC1CC1)c1ccc2c(c1)OCCO2 ZINC001191581213 1048959526 /nfs/dbraw/zinc/95/95/26/1048959526.db2.gz FEGLYYQSSNDFBR-QPJJXVBHSA-N 0 0 321.420 4.388 20 10 DICDRN COc1ccc(CN2CCCc3cc(OC(F)F)ccc32)cc1 ZINC001191655356 1048978341 /nfs/dbraw/zinc/97/83/41/1048978341.db2.gz MQGKAKVYKZCLJG-UHFFFAOYSA-N 0 0 319.351 4.249 20 10 DICDRN CCn1ncc2ccc(NCc3ccc(N4CCCC4)cc3)cc21 ZINC001178114515 1048986041 /nfs/dbraw/zinc/98/60/41/1048986041.db2.gz HWQRTMNWALZWKD-UHFFFAOYSA-N 0 0 320.440 4.269 20 10 DICDRN Cc1cc(NC(=O)N[C@@H](C)c2ccccc2O)ccc1Cl ZINC001191778832 1048998579 /nfs/dbraw/zinc/99/85/79/1048998579.db2.gz DIXGLXIPRHQUTA-NSHDSACASA-N 0 0 304.777 4.237 20 10 DICDRN CN(C(=O)C1=CC(=O)CS1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000854952774 1049001535 /nfs/dbraw/zinc/00/15/35/1049001535.db2.gz NQSIZZVROWUVIO-CVEARBPZSA-N 0 0 315.438 4.252 20 10 DICDRN Cc1ncsc1/C=C/C(=O)N1CCCc2cc(Cl)ccc21 ZINC000776771241 1049005067 /nfs/dbraw/zinc/00/50/67/1049005067.db2.gz GXHLMPNDRGAVKX-VOTSOKGWSA-N 0 0 318.829 4.098 20 10 DICDRN CCN(C(=O)/C=C/c1scnc1C)c1cc(C)ccc1C ZINC000776771533 1049006301 /nfs/dbraw/zinc/00/63/01/1049006301.db2.gz JVFHOEQOYHBBDM-CMDGGOBGSA-N 0 0 300.427 4.135 20 10 DICDRN CC[C@H]([NH2+]Cc1cccc2c1OCO2)c1cc(Cl)ccc1O ZINC000775492262 1049014127 /nfs/dbraw/zinc/01/41/27/1049014127.db2.gz ORFOXQIMOVQOSI-AWEZNQCLSA-N 0 0 319.788 4.015 20 10 DICDRN CC(C)(C)Oc1cccc(NCc2cc(F)cc(F)c2O)c1 ZINC001203847455 1049014273 /nfs/dbraw/zinc/01/42/73/1049014273.db2.gz CPORADAWBRBHAS-UHFFFAOYSA-N 0 0 307.340 4.460 20 10 DICDRN CC[C@H](CSc1ccccc1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001178267820 1049016353 /nfs/dbraw/zinc/01/63/53/1049016353.db2.gz PDRZQVTUTJSIIU-CQSZACIVSA-N 0 0 323.408 4.331 20 10 DICDRN C[C@H]1C[C@@H](CC(=O)NCc2c(O)cccc2F)CC(C)(C)C1 ZINC001178413298 1049037839 /nfs/dbraw/zinc/03/78/39/1049037839.db2.gz PXSBRZVNVVRVBM-STQMWFEESA-N 0 0 307.409 4.000 20 10 DICDRN C[C@@H]1C[C@H](CC(=O)NCc2c(O)cccc2F)CC(C)(C)C1 ZINC001178413292 1049037882 /nfs/dbraw/zinc/03/78/82/1049037882.db2.gz PXSBRZVNVVRVBM-CHWSQXEVSA-N 0 0 307.409 4.000 20 10 DICDRN C[C@H]1CC(C)(C)c2cccc(NC(=O)c3cccc(O)c3O)c21 ZINC001178500005 1049040964 /nfs/dbraw/zinc/04/09/64/1049040964.db2.gz VNRXIFOKEAOGGK-NSHDSACASA-N 0 0 311.381 4.135 20 10 DICDRN CCN(Cc1ccc(C)c(OC)c1)c1ccc(OC)c(OC)c1 ZINC001192099632 1049043043 /nfs/dbraw/zinc/04/30/43/1049043043.db2.gz GITUXPZNSSTNIL-UHFFFAOYSA-N 0 0 315.413 4.047 20 10 DICDRN CC[C@H]([NH2+]C[C@@](C)(O)C(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775503028 1049045656 /nfs/dbraw/zinc/04/56/56/1049045656.db2.gz AEDYXFGJZKHZMA-SWLSCSKDSA-N 0 0 320.260 4.147 20 10 DICDRN CC[C@H](C)[C@@H](O)C[NH2+][C@@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775504208 1049048182 /nfs/dbraw/zinc/04/81/82/1049048182.db2.gz VPSFGOTUQYFVFX-XDTLVQLUSA-N 0 0 320.260 4.147 20 10 DICDRN CC[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775503640 1049048195 /nfs/dbraw/zinc/04/81/95/1049048195.db2.gz LITSOXJJTMNCSG-IUODEOHRSA-N 0 0 318.244 4.166 20 10 DICDRN COc1ccc(N(Cc2nc3c(o2)CCCC3)C(C)C)cc1F ZINC001192140191 1049049139 /nfs/dbraw/zinc/04/91/39/1049049139.db2.gz QLODWCWDZNZMHK-UHFFFAOYSA-N 0 0 318.392 4.116 20 10 DICDRN CC[C@@H]([NH2+]C[C@]1(C)CCCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775513870 1049056979 /nfs/dbraw/zinc/05/69/79/1049056979.db2.gz VPIIFMGTKNOFDE-DOMZBBRYSA-N 0 0 318.244 4.309 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cc(F)cc(Cl)c1 ZINC001204001973 1049058564 /nfs/dbraw/zinc/05/85/64/1049058564.db2.gz GZWWCJYWOSCJFU-UHFFFAOYSA-N 0 0 300.160 4.128 20 10 DICDRN C[C@@H](Nc1ccc(N2CCCCC2)cn1)c1ccc(N(C)C)cc1 ZINC000776846239 1049068845 /nfs/dbraw/zinc/06/88/45/1049068845.db2.gz BCZXTJUPEKRNBS-MRXNPFEDSA-N 0 0 324.472 4.311 20 10 DICDRN CN(Cc1nc(-c2ccccc2)cs1)c1ccc2c(c1)OCO2 ZINC001192281750 1049073185 /nfs/dbraw/zinc/07/31/85/1049073185.db2.gz BXPVSMREHOMHLX-UHFFFAOYSA-N 0 0 324.405 4.175 20 10 DICDRN CN(C[C@@H]1CC[C@@H](c2ccccc2)C1)c1ccc2c(c1)OCO2 ZINC001192283754 1049073208 /nfs/dbraw/zinc/07/32/08/1049073208.db2.gz ROJQBOAHPJOILX-NVXWUHKLSA-N 0 0 309.409 4.435 20 10 DICDRN CC[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775523541 1049086409 /nfs/dbraw/zinc/08/64/09/1049086409.db2.gz KNVKJEAXXPRBKM-KWBADKCTSA-N 0 0 318.244 4.043 20 10 DICDRN COc1ccc(N(C)Cc2ccc(OC)c(Cl)c2)c(OC)c1 ZINC001192401512 1049099655 /nfs/dbraw/zinc/09/96/55/1049099655.db2.gz OMJYCQLJMDROKW-UHFFFAOYSA-N 0 0 321.804 4.002 20 10 DICDRN CC(C)c1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)cc1 ZINC001204168435 1049102742 /nfs/dbraw/zinc/10/27/42/1049102742.db2.gz MYRSEJXDDIVWOD-UHFFFAOYSA-N 0 0 311.425 4.170 20 10 DICDRN C[C@@H](NC(=O)Nc1ccc2sccc2c1)c1ccccc1O ZINC001192462619 1049109740 /nfs/dbraw/zinc/10/97/40/1049109740.db2.gz QNCYGKSITNJYTC-LLVKDONJSA-N 0 0 312.394 4.490 20 10 DICDRN CC[C@@H](Nc1ccc2c(c1)OCO2)c1cc(Cl)ccc1O ZINC000775532203 1049112484 /nfs/dbraw/zinc/11/24/84/1049112484.db2.gz SZWZROKMDUVTAC-CYBMUJFWSA-N 0 0 305.761 4.338 20 10 DICDRN CC[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1ccc(F)cc1[O-] ZINC000857080277 1049125543 /nfs/dbraw/zinc/12/55/43/1049125543.db2.gz FMQJDQBSGAAYAV-CABZTGNLSA-N 0 0 306.208 4.156 20 10 DICDRN C[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1ccc(Cl)cc1[O-] ZINC000857082179 1049127375 /nfs/dbraw/zinc/12/73/75/1049127375.db2.gz UEWLNHNQSHNEDS-DTWKUNHWSA-N 0 0 308.636 4.280 20 10 DICDRN CC[C@H](CCc1ccccc1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001179159358 1049137875 /nfs/dbraw/zinc/13/78/75/1049137875.db2.gz MOMXAUUAPNAZMA-MRXNPFEDSA-N 0 0 305.368 4.171 20 10 DICDRN CC[C@@H](CCc1ccccc1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001179159356 1049138545 /nfs/dbraw/zinc/13/85/45/1049138545.db2.gz MOMXAUUAPNAZMA-INIZCTEOSA-N 0 0 305.368 4.171 20 10 DICDRN CC[C@@H]([NH2+]CC[C@H]1CCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775552199 1049145369 /nfs/dbraw/zinc/14/53/69/1049145369.db2.gz SXWOZDJIOBJUJA-GXFFZTMASA-N 0 0 318.244 4.166 20 10 DICDRN CC[C@H](Nc1cnn(C)c1C1CC1)c1cc(Cl)ccc1O ZINC000775555231 1049145515 /nfs/dbraw/zinc/14/55/15/1049145515.db2.gz USNKFMNTPICNTR-ZDUSSCGKSA-N 0 0 305.809 4.220 20 10 DICDRN Oc1cccc(Cl)c1CNCC(F)(F)c1ccc(F)cc1 ZINC001179243054 1049147466 /nfs/dbraw/zinc/14/74/66/1049147466.db2.gz LLTNTXYBBZUHAN-UHFFFAOYSA-N 0 0 315.722 4.066 20 10 DICDRN Cc1cc(Cc2nc([C@@H]3C[C@H]3C)no2)c(C)n1-c1ccccc1 ZINC000904823754 1049155836 /nfs/dbraw/zinc/15/58/36/1049155836.db2.gz VJVPSFLCJILJOM-SJKOYZFVSA-N 0 0 307.397 4.191 20 10 DICDRN CN(C)c1ccc2c(c1)OCCN2CCCC1CCCCC1 ZINC001192939841 1049157253 /nfs/dbraw/zinc/15/72/53/1049157253.db2.gz UOAFVNAEXLMJJA-UHFFFAOYSA-N 0 0 302.462 4.312 20 10 DICDRN Cc1cc(Cl)ccc1CN1CCOc2cc(N(C)C)ccc21 ZINC001192939651 1049157531 /nfs/dbraw/zinc/15/75/31/1049157531.db2.gz PTTSPVHZYXXXNK-UHFFFAOYSA-N 0 0 316.832 4.113 20 10 DICDRN Cc1cc(Cc2nc(C3CCC3)no2)c(C)n1-c1ccccc1 ZINC000904868725 1049170231 /nfs/dbraw/zinc/17/02/31/1049170231.db2.gz KFIRIKDKXZBFEF-UHFFFAOYSA-N 0 0 307.397 4.335 20 10 DICDRN O=C(CCCC1CCCCC1)NCc1cc(Cl)ccc1O ZINC000857546965 1049172950 /nfs/dbraw/zinc/17/29/50/1049172950.db2.gz MHVZVALKPMSBFA-UHFFFAOYSA-N 0 0 309.837 4.412 20 10 DICDRN CC(C)(C)c1ccc(C(=O)NCc2cc(Cl)ccc2O)s1 ZINC000857547673 1049173280 /nfs/dbraw/zinc/17/32/80/1049173280.db2.gz PGWVQGVKLQDHPQ-UHFFFAOYSA-N 0 0 323.845 4.335 20 10 DICDRN CC1(C)CCC[C@H](CC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000857547778 1049173373 /nfs/dbraw/zinc/17/33/73/1049173373.db2.gz TVSMNJORJICTRE-GFCCVEGCSA-N 0 0 309.837 4.268 20 10 DICDRN CC(C)c1cccc(CC(=O)NCc2cc(Cl)ccc2O)c1 ZINC000857548556 1049173450 /nfs/dbraw/zinc/17/34/50/1049173450.db2.gz NJRKFGIGDPETGY-UHFFFAOYSA-N 0 0 317.816 4.028 20 10 DICDRN COc1ccc(O)c([C@H](C)Nc2ccc(Cl)cc2OC)c1 ZINC000775580661 1049189039 /nfs/dbraw/zinc/18/90/39/1049189039.db2.gz WFXMBQQOMQUXCV-JTQLQIEISA-N 0 0 307.777 4.236 20 10 DICDRN Cc1c2ccccc2n(C)c1CNc1ccc2c(c1)C[C@H](C)O2 ZINC001179695237 1049194301 /nfs/dbraw/zinc/19/43/01/1049194301.db2.gz GJJKEYNPJOJVOK-ZDUSSCGKSA-N 0 0 306.409 4.422 20 10 DICDRN CN(C)c1ccc(-c2nc(-c3c[nH]c4ncccc34)cs2)cc1 ZINC000775597356 1049209102 /nfs/dbraw/zinc/20/91/02/1049209102.db2.gz OFGBIRDIIFPAKF-UHFFFAOYSA-N 0 0 320.421 4.419 20 10 DICDRN CO[C@H]1C[C@@H](CN(C)c2ccc(OCc3ccccc3)cc2)C1 ZINC001193473299 1049213085 /nfs/dbraw/zinc/21/30/85/1049213085.db2.gz MSVDTQCRAHKYDH-MSEWRSJXSA-N 0 0 311.425 4.127 20 10 DICDRN CN(C[C@@H]1C[C@]12CCOC2)c1ccc(OCc2ccccc2)cc1 ZINC001193472012 1049213356 /nfs/dbraw/zinc/21/33/56/1049213356.db2.gz BEGFUUXRXGJFSP-RXVVDRJESA-N 0 0 323.436 4.128 20 10 DICDRN CN(C)c1cc(F)c(CN2CCC[C@H]2c2ccsc2)cc1F ZINC001204658049 1049214902 /nfs/dbraw/zinc/21/49/02/1049214902.db2.gz OXZFFSHEPHNGJN-INIZCTEOSA-N 0 0 322.424 4.429 20 10 DICDRN CCC[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1ccccn1 ZINC000858126129 1049219354 /nfs/dbraw/zinc/21/93/54/1049219354.db2.gz UCZDJWWNOOLEKV-MRXNPFEDSA-N 0 0 319.399 4.057 20 10 DICDRN CCC[C@H](NCc1cc(F)c(N(C)C)cc1F)c1ccccn1 ZINC000858126128 1049219668 /nfs/dbraw/zinc/21/96/68/1049219668.db2.gz UCZDJWWNOOLEKV-INIZCTEOSA-N 0 0 319.399 4.057 20 10 DICDRN Cc1ccc(C(C)(C)C[N@H+](C)Cc2ccc(F)c(F)c2[O-])cc1 ZINC001179879150 1049226024 /nfs/dbraw/zinc/22/60/24/1049226024.db2.gz 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ZINC000858549862 1049272479 /nfs/dbraw/zinc/27/24/79/1049272479.db2.gz FBZUTWAWDWQIIW-HNNXBMFYSA-N 0 0 315.413 4.037 20 10 DICDRN COCc1ccc(N[C@@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000858567717 1049276114 /nfs/dbraw/zinc/27/61/14/1049276114.db2.gz IWSCLGURVPBMNA-AWEZNQCLSA-N 0 0 314.429 4.081 20 10 DICDRN CC[C@H](Nc1ccc(COC)c(OC)c1)c1ccc(F)cc1O ZINC000858567256 1049276483 /nfs/dbraw/zinc/27/64/83/1049276483.db2.gz CMODBZZFSBYMJP-INIZCTEOSA-N 0 0 319.376 4.250 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1ccns1 ZINC000858575552 1049278416 /nfs/dbraw/zinc/27/84/16/1049278416.db2.gz ALFGBKIQQQIQQV-NWDGAFQWSA-N 0 0 302.443 4.139 20 10 DICDRN Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001180142327 1049282579 /nfs/dbraw/zinc/28/25/79/1049282579.db2.gz MXXHATPCCIRZAE-HIFRSBDPSA-N 0 0 317.379 4.357 20 10 DICDRN CC[C@@H]([NH2+]C[C@H]1C[C@@H](OC)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000858593329 1049283081 /nfs/dbraw/zinc/28/30/81/1049283081.db2.gz ZUMAQSSWYDGYCE-GBIKHYSHSA-N 0 0 318.244 4.165 20 10 DICDRN CC[C@H]([NH2+]C[C@H]1C[C@@H](OC)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000858593328 1049283323 /nfs/dbraw/zinc/28/33/23/1049283323.db2.gz ZUMAQSSWYDGYCE-CWSCBRNRSA-N 0 0 318.244 4.165 20 10 DICDRN C=C(F)C(=O)Nc1ccc(/C=C/c2ccc(N(C)C)cc2)cc1 ZINC001180115537 1049289183 /nfs/dbraw/zinc/28/91/83/1049289183.db2.gz BVPLUBBKJTUBBP-SNAWJCMRSA-N 0 0 310.372 4.345 20 10 DICDRN Cc1cc(CNc2ccc(Cl)nn2)c(C)n1-c1ccccc1 ZINC000858800493 1049295434 /nfs/dbraw/zinc/29/54/34/1049295434.db2.gz LVKWAJXKQHQBQU-UHFFFAOYSA-N 0 0 312.804 4.150 20 10 DICDRN CCN(Cc1ccccc1O)C(=O)Oc1ccc(Cl)cc1 ZINC001194055675 1049311066 /nfs/dbraw/zinc/31/10/66/1049311066.db2.gz QAJFPXWKBPXCHJ-UHFFFAOYSA-N 0 0 305.761 4.067 20 10 DICDRN CC[C@H]1c2ccsc2CC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001180262558 1049323515 /nfs/dbraw/zinc/32/35/15/1049323515.db2.gz ZBWVTCSOLRCGBT-ZDUSSCGKSA-N 0 0 309.381 4.241 20 10 DICDRN COc1cc(C)c(CNc2cc(SC)ccc2C)c(O)c1 ZINC001204969012 1049327119 /nfs/dbraw/zinc/32/71/19/1049327119.db2.gz QBJMLJVEBUMCMH-UHFFFAOYSA-N 0 0 303.427 4.352 20 10 DICDRN Cc1cc(O)c(CNc2cccc(N(C)C)c2C)cc1Cl ZINC001204977634 1049329020 /nfs/dbraw/zinc/32/90/20/1049329020.db2.gz YHEFTQFUFICMMJ-UHFFFAOYSA-N 0 0 304.821 4.341 20 10 DICDRN COc1ccc2c(c1)CCN2C/C=C/c1ccc(F)c(F)c1 ZINC001180296427 1049335569 /nfs/dbraw/zinc/33/55/69/1049335569.db2.gz GTKNKXAIGRBFAS-NSCUHMNNSA-N 0 0 301.336 4.049 20 10 DICDRN CC(C)c1ccc(O)c(CNc2cccc(Cn3cccn3)c2)c1 ZINC001180284924 1049336032 /nfs/dbraw/zinc/33/60/32/1049336032.db2.gz OYOKBYOBYAFAAL-UHFFFAOYSA-N 0 0 321.424 4.373 20 10 DICDRN COc1ccc2c(c1)CCN2Cc1ccc(OCC2CC2)cc1 ZINC001180295834 1049336274 /nfs/dbraw/zinc/33/62/74/1049336274.db2.gz AVQDOOKRTCEDSV-UHFFFAOYSA-N 0 0 309.409 4.047 20 10 DICDRN CC1(C)CCCC[C@H]1CC(=O)NCc1cccc(Cl)c1O ZINC001180411381 1049360702 /nfs/dbraw/zinc/36/07/02/1049360702.db2.gz XUXDVUPCGKUFRX-ZDUSSCGKSA-N 0 0 309.837 4.268 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC001180521020 1049370869 /nfs/dbraw/zinc/37/08/69/1049370869.db2.gz IFRUPSSLOTVTLG-INIZCTEOSA-N 0 0 319.807 4.392 20 10 DICDRN CCc1ccc(C[N@H+](C)Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC001180497246 1049375743 /nfs/dbraw/zinc/37/57/43/1049375743.db2.gz GQJASEFXMVTFII-UHFFFAOYSA-N 0 0 307.796 4.379 20 10 DICDRN COc1ccc2c(c1)CCCN2Cc1cc(Cl)c(F)cc1O ZINC001180715627 1049396395 /nfs/dbraw/zinc/39/63/95/1049396395.db2.gz CPQHROBGUJSVOO-UHFFFAOYSA-N 0 0 321.779 4.146 20 10 DICDRN COc1ccc2c(c1)CCCN2Cc1c(Cl)cncc1Cl ZINC001180716498 1049398328 /nfs/dbraw/zinc/39/83/28/1049398328.db2.gz SDWCARDWESNWQE-UHFFFAOYSA-N 0 0 323.223 4.350 20 10 DICDRN COc1ccc(N(C)Cc2ccc(CSC)cc2)cc1F ZINC001180758006 1049401902 /nfs/dbraw/zinc/40/19/02/1049401902.db2.gz FBDMPPBCUBTXAX-UHFFFAOYSA-N 0 0 305.418 4.334 20 10 DICDRN COc1ccc(N(C)Cc2cc(C)nc3c2CCCC3)cc1F ZINC001180759045 1049403045 /nfs/dbraw/zinc/40/30/45/1049403045.db2.gz NZWMRNRBIYXKBM-UHFFFAOYSA-N 0 0 314.404 4.053 20 10 DICDRN CN(C)c1ccc(CNC(=O)Oc2ccc3ccccc3c2)cc1 ZINC001194674015 1049410589 /nfs/dbraw/zinc/41/05/89/1049410589.db2.gz YASKOWMGGQGGCZ-UHFFFAOYSA-N 0 0 320.392 4.194 20 10 DICDRN COc1cc(C)c(CN(C)c2ccc(OC(C)C)cc2)c(O)c1 ZINC001180873329 1049413730 /nfs/dbraw/zinc/41/37/30/1049413730.db2.gz PFGWQBPYDHCTGK-UHFFFAOYSA-N 0 0 315.413 4.133 20 10 DICDRN CC[C@H](Nc1cncc(Br)c1)c1ccccc1O ZINC000117861948 1049423957 /nfs/dbraw/zinc/42/39/57/1049423957.db2.gz QWMBKGQGDHYRES-ZDUSSCGKSA-N 0 0 307.191 4.113 20 10 DICDRN C[C@H](Nc1cccc(N2CCCC2=O)c1)c1ccc(N(C)C)cc1 ZINC000192946657 1049434429 /nfs/dbraw/zinc/43/44/29/1049434429.db2.gz HULHWOWXJCNNBU-HNNXBMFYSA-N 0 0 323.440 4.053 20 10 DICDRN CC[N@H+](Cc1ccc(F)c(F)c1[O-])[C@@H](C)Cc1ccsc1 ZINC001181113595 1049440185 /nfs/dbraw/zinc/44/01/85/1049440185.db2.gz PUIBNMZXPUZZNW-NSHDSACASA-N 0 0 311.397 4.185 20 10 DICDRN COc1ccc(N(C)Cc2cccc(Cl)c2O)cc1Cl ZINC001205354177 1049447091 /nfs/dbraw/zinc/44/70/91/1049447091.db2.gz VYVZVCQYMZDORB-UHFFFAOYSA-N 0 0 312.196 4.344 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)C[C@@H](C)c1ccco1 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Cc1ccc(SC[C@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])cc1 ZINC001205437831 1049471067 /nfs/dbraw/zinc/47/10/67/1049471067.db2.gz KXYRSSAUIFWIMW-LBPRGKRZSA-N 0 0 323.408 4.249 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(CC)cc1 ZINC000118791110 1049476802 /nfs/dbraw/zinc/47/68/02/1049476802.db2.gz MASZQYBHNBSRNO-UHFFFAOYSA-N 0 0 312.413 4.399 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000862539083 1049500181 /nfs/dbraw/zinc/50/01/81/1049500181.db2.gz JABXZNPUGSXOCS-OAHLLOKOSA-N 0 0 308.208 4.476 20 10 DICDRN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])[C@H]1CCc2ccccc21 ZINC000775648513 1049509571 /nfs/dbraw/zinc/50/95/71/1049509571.db2.gz VTVPXNZSADRTRU-INIZCTEOSA-N 0 0 305.780 4.304 20 10 DICDRN Cc1ccc(O)c(CNC(=O)c2ccccc2SC(C)C)c1 ZINC000862758991 1049513672 /nfs/dbraw/zinc/51/36/72/1049513672.db2.gz SIKVVZZOFSLHSS-UHFFFAOYSA-N 0 0 315.438 4.131 20 10 DICDRN COc1ccc(Cl)c(NCc2cc(Cl)c(F)cc2O)c1 ZINC001181809154 1049523665 /nfs/dbraw/zinc/52/36/65/1049523665.db2.gz WFKWMMUDUXQBFR-UHFFFAOYSA-N 0 0 316.159 4.459 20 10 DICDRN CC1(C)[C@H](c2cccc(F)c2)CCN1C(=O)C1=CC(=O)CS1 ZINC000863043008 1049530343 /nfs/dbraw/zinc/53/03/43/1049530343.db2.gz XZIKMNBXSXGKJX-AWEZNQCLSA-N 0 0 319.401 4.001 20 10 DICDRN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c1O ZINC000775660763 1049540448 /nfs/dbraw/zinc/54/04/48/1049540448.db2.gz HYFIDBXUCSOEIM-QGZVFWFLSA-N 0 0 317.816 4.397 20 10 DICDRN [O-]c1c(Cl)cccc1C[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000775665524 1049547528 /nfs/dbraw/zinc/54/75/28/1049547528.db2.gz FBMLLRDKPYGIBO-UHFFFAOYSA-N 0 0 317.816 4.163 20 10 DICDRN Cn1nc(CSc2ncc(C(C)(C)C)s2)cc1Cl ZINC000863314409 1049555210 /nfs/dbraw/zinc/55/52/10/1049555210.db2.gz IZKUZNBPCPEPGL-UHFFFAOYSA-N 0 0 301.868 4.120 20 10 DICDRN Oc1cc(F)c(F)cc1CN1CC[C@H]1c1ccc(Cl)cc1 ZINC001205757495 1049555514 /nfs/dbraw/zinc/55/55/14/1049555514.db2.gz CIDBQSJHKBMNQK-HNNXBMFYSA-N 0 0 309.743 4.271 20 10 DICDRN CO[C@H]1c2ccccc2OC[C@H]1Sc1ncc(Cl)s1 ZINC000863347767 1049556799 /nfs/dbraw/zinc/55/67/99/1049556799.db2.gz HQGUABOPPUWDIT-PWSUYJOCSA-N 0 0 313.831 4.037 20 10 DICDRN Clc1cnc(S[C@H]2CCO[C@@H](c3cccnc3)C2)s1 ZINC000863348121 1049558124 /nfs/dbraw/zinc/55/81/24/1049558124.db2.gz OIMLKWFWFIKNCO-WDEREUQCSA-N 0 0 312.847 4.204 20 10 DICDRN COc1cc(N[C@@H](C)c2ccccc2O)ccc1Br ZINC000119504880 1049569725 /nfs/dbraw/zinc/56/97/25/1049569725.db2.gz ZAQVHSHYFCCPBT-JTQLQIEISA-N 0 0 322.202 4.336 20 10 DICDRN CCc1cccc(CNc2ccc(-n3cnc(C)c3C)cc2)c1O ZINC001182109705 1049569665 /nfs/dbraw/zinc/56/96/65/1049569665.db2.gz REMJXARSVXNDMR-UHFFFAOYSA-N 0 0 321.424 4.369 20 10 DICDRN C[C@@H](NC(=O)/C=C\C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000773996201 1049586069 /nfs/dbraw/zinc/58/60/69/1049586069.db2.gz YEQUXLFPEZZKES-KQGZCTBQSA-N 0 0 300.446 4.066 20 10 DICDRN CCN(Cc1ccccc1O)C(=S)Nc1cc(F)ccc1C ZINC001195904429 1049589091 /nfs/dbraw/zinc/58/90/91/1049589091.db2.gz JJXSVDNOKLMZJV-UHFFFAOYSA-N 0 0 318.417 4.059 20 10 DICDRN CC(C)Cn1cc(N(c2ccc(N)cc2)c2ccc(N)cc2)cn1 ZINC001205876261 1049591591 /nfs/dbraw/zinc/59/15/91/1049591591.db2.gz JQEFZRVBJCYOIL-UHFFFAOYSA-N 0 0 321.428 4.173 20 10 DICDRN CCCn1ncc(NCc2cc(Cl)c(C)cc2O)c1C1CC1 ZINC001205898055 1049595037 /nfs/dbraw/zinc/59/50/37/1049595037.db2.gz OZRKFWMRYMQQNM-UHFFFAOYSA-N 0 0 319.836 4.450 20 10 DICDRN COc1cc(O)c(CNc2cc(C)c(C)cc2Cl)cc1OC ZINC001205918259 1049601212 /nfs/dbraw/zinc/60/12/12/1049601212.db2.gz UYJLSXOLWGELCH-UHFFFAOYSA-N 0 0 321.804 4.292 20 10 DICDRN COc1ccc2c(c1)CCC[N@@H+](Cc1cccc(Cl)c1[O-])C2 ZINC000775678324 1049602890 /nfs/dbraw/zinc/60/28/90/1049602890.db2.gz YXSLBXPHTCNQQF-UHFFFAOYSA-N 0 0 317.816 4.003 20 10 DICDRN CCCCOCC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774160672 1049615191 /nfs/dbraw/zinc/61/51/91/1049615191.db2.gz ZHNVYQRLEYWINP-JTQLQIEISA-N 0 0 306.233 4.166 20 10 DICDRN CCOc1ccc(N(C)Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000864012559 1049617564 /nfs/dbraw/zinc/61/75/64/1049617564.db2.gz VMNRDSZRZJIVMI-UHFFFAOYSA-N 0 0 320.776 4.283 20 10 DICDRN C[C@@H]([NH2+]CCOC1CCCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774142026 1049618689 /nfs/dbraw/zinc/61/86/89/1049618689.db2.gz FVFZHEJGAOVKNR-SNVBAGLBSA-N 0 0 318.244 4.309 20 10 DICDRN COc1nccc2c(NCc3ccc(N(C)C)cc3C)cccc21 ZINC000864015085 1049621484 /nfs/dbraw/zinc/62/14/84/1049621484.db2.gz DBUSVCJOTXBFHB-UHFFFAOYSA-N 0 0 321.424 4.230 20 10 DICDRN CC[C@@H](C)Oc1cccc(NCc2c(C)cc(OC)cc2O)c1 ZINC001205990491 1049621568 /nfs/dbraw/zinc/62/15/68/1049621568.db2.gz RUWMZLCCOCVQEQ-CQSZACIVSA-N 0 0 315.413 4.499 20 10 DICDRN COc1nccc2c(NCc3cccc(Cl)c3O)cccc21 ZINC000864015865 1049621731 /nfs/dbraw/zinc/62/17/31/1049621731.db2.gz ZAPLMANCQGNKSB-UHFFFAOYSA-N 0 0 314.772 4.215 20 10 DICDRN CO[C@@H](C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-])C(C)C ZINC000774202772 1049624005 /nfs/dbraw/zinc/62/40/05/1049624005.db2.gz ODJWZEHVFKPLGB-OTYXRUKQSA-N 0 0 306.233 4.021 20 10 DICDRN C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774205683 1049626453 /nfs/dbraw/zinc/62/64/53/1049626453.db2.gz WATGCVMMGAMCHG-UWVGGRQHSA-N 0 0 320.260 4.147 20 10 DICDRN C[C@@H](Nc1cc(F)cc(N(C)C)c1)c1cc(Cl)ccc1O ZINC000864025796 1049629028 /nfs/dbraw/zinc/62/90/28/1049629028.db2.gz VCYKRBIFGLBVOE-SNVBAGLBSA-N 0 0 308.784 4.424 20 10 DICDRN Cc1nc2cc(NCc3ccc(N(C)C)c(F)c3)ccc2s1 ZINC000864031719 1049631763 /nfs/dbraw/zinc/63/17/63/1049631763.db2.gz NLGDHVKRVDQKGI-UHFFFAOYSA-N 0 0 315.417 4.422 20 10 DICDRN C[C@H](C[C@H]1CCOC1)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774229033 1049633185 /nfs/dbraw/zinc/63/31/85/1049633185.db2.gz YNFMYRXNEWMJHB-OUAUKWLOSA-N 0 0 318.244 4.165 20 10 DICDRN CCc1coc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)n1 ZINC000774246683 1049633684 /nfs/dbraw/zinc/63/36/84/1049633684.db2.gz PXHSQAABWDUNEL-UHFFFAOYSA-N 0 0 323.396 4.205 20 10 DICDRN CCc1coc(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)n1 ZINC000774246846 1049633789 /nfs/dbraw/zinc/63/37/89/1049633789.db2.gz RVDRSPORIILVSW-UHFFFAOYSA-N 0 0 323.396 4.205 20 10 DICDRN Cc1ccccc1NC(=S)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774248736 1049634825 /nfs/dbraw/zinc/63/48/25/1049634825.db2.gz HOCNFWDKMAUKAA-CQSZACIVSA-N 0 0 313.470 4.109 20 10 DICDRN Cc1cc(O)c(CNc2ccc3oc(CO)cc3c2)c(Cl)c1 ZINC000864042176 1049635730 /nfs/dbraw/zinc/63/57/30/1049635730.db2.gz YYKMAAAYHBLXHT-UHFFFAOYSA-N 0 0 317.772 4.205 20 10 DICDRN CC(C)Nc1ccccc1NCc1cccc2c1OC(F)(F)O2 ZINC000864042117 1049635921 /nfs/dbraw/zinc/63/59/21/1049635921.db2.gz WZZVPGAINOXCJL-UHFFFAOYSA-N 0 0 320.339 4.441 20 10 DICDRN CCN(CC)c1ccc(CNc2ccc(OC)cc2F)cc1 ZINC000864042395 1049636080 /nfs/dbraw/zinc/63/60/80/1049636080.db2.gz JWTVHDYDDDGXFS-UHFFFAOYSA-N 0 0 302.393 4.293 20 10 DICDRN Cc1cccc(NC(=S)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000774253200 1049636549 /nfs/dbraw/zinc/63/65/49/1049636549.db2.gz ZACMSLXEGJWDOG-CQSZACIVSA-N 0 0 313.470 4.109 20 10 DICDRN C[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774263720 1049637943 /nfs/dbraw/zinc/63/79/43/1049637943.db2.gz CZNDGPIMPYWHOZ-NXEZZACHSA-N 0 0 320.260 4.147 20 10 DICDRN C[C@@H]([NH2+]Cc1cccc(F)n1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774273471 1049642203 /nfs/dbraw/zinc/64/22/03/1049642203.db2.gz ZIUMCEHXJJRUCV-MRVPVSSYSA-N 0 0 315.175 4.084 20 10 DICDRN CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774275759 1049642540 /nfs/dbraw/zinc/64/25/40/1049642540.db2.gz XRMYKGXZKXXXBY-IQMDTDKHSA-N 0 0 318.244 4.165 20 10 DICDRN CCOC(C)(C)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774368610 1049651774 /nfs/dbraw/zinc/65/17/74/1049651774.db2.gz RKTBNCXQTSQWMJ-VIFPVBQESA-N 0 0 306.233 4.165 20 10 DICDRN COc1ccc2c(c1)CCCCN2Cc1ccc(-c2cc[nH]n2)o1 ZINC001206091779 1049651984 /nfs/dbraw/zinc/65/19/84/1049651984.db2.gz RVUVGXJRNWEZJC-UHFFFAOYSA-N 0 0 323.396 4.021 20 10 DICDRN C[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774372048 1049652285 /nfs/dbraw/zinc/65/22/85/1049652285.db2.gz URBXXWCVCLUROK-NXEZZACHSA-N 0 0 318.244 4.307 20 10 DICDRN CC(C)[C@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])C(C)(C)O ZINC000774380584 1049653388 /nfs/dbraw/zinc/65/33/88/1049653388.db2.gz ICAJPWMYUSRONS-XPTSAGLGSA-N 0 0 320.260 4.145 20 10 DICDRN CCN(Cc1ccccc1O)C(=S)Nc1cccc(C)c1C ZINC001196410505 1049654416 /nfs/dbraw/zinc/65/44/16/1049654416.db2.gz ARVZEMFLAJFARN-UHFFFAOYSA-N 0 0 314.454 4.228 20 10 DICDRN C[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774351217 1049656811 /nfs/dbraw/zinc/65/68/11/1049656811.db2.gz CWKBQWSOCBPURS-MNOVXSKESA-N 0 0 318.244 4.309 20 10 DICDRN Cc1c(N[C@H](C)c2cc(F)cc(F)c2O)cnn1C1CCCC1 ZINC000774433047 1049661360 /nfs/dbraw/zinc/66/13/60/1049661360.db2.gz CLHWZWVHCOYCAK-SNVBAGLBSA-N 0 0 321.371 4.464 20 10 DICDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000775723974 1049666287 /nfs/dbraw/zinc/66/62/87/1049666287.db2.gz AZUVRTBLOMBWSI-MRXNPFEDSA-N 0 0 316.832 4.122 20 10 DICDRN CCO[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000774495558 1049677766 /nfs/dbraw/zinc/67/77/66/1049677766.db2.gz JWFYNGMAMOYBJW-YVEFUNNKSA-N 0 0 321.367 4.099 20 10 DICDRN Cc1ccc(CNc2cnn([C@H](C)c3ccccc3)c2)c(O)c1 ZINC001182522013 1049684407 /nfs/dbraw/zinc/68/44/07/1049684407.db2.gz RQGZMPZDEPKOTI-OAHLLOKOSA-N 0 0 307.397 4.119 20 10 DICDRN Cc1csc2ncnc(N[C@H](C)c3ccc(N(C)C)cc3)c12 ZINC000794786674 1049692612 /nfs/dbraw/zinc/69/26/12/1049692612.db2.gz JZVMJUVOCTXZCK-GFCCVEGCSA-N 0 0 312.442 4.239 20 10 DICDRN CCc1cccc(F)c1CN(C)c1ccc(OC)c(OC)c1 ZINC001182604752 1049693498 /nfs/dbraw/zinc/69/34/98/1049693498.db2.gz KEFRNSFBMSRFGX-UHFFFAOYSA-N 0 0 303.377 4.042 20 10 DICDRN CC[C@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1ccc(C)cc1O ZINC000794798120 1049695827 /nfs/dbraw/zinc/69/58/27/1049695827.db2.gz SUYAIYNRQGISGI-XLIONFOSSA-N 0 0 324.468 4.268 20 10 DICDRN CC[C@@H]([NH2+]CCn1c(C)nc2ccccc21)c1ccc(C)cc1O ZINC000794796958 1049695977 /nfs/dbraw/zinc/69/59/77/1049695977.db2.gz YPJMULQBAKCLMS-QGZVFWFLSA-N 0 0 323.440 4.100 20 10 DICDRN CC[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1ccc(C)cc1O ZINC000794798121 1049697128 /nfs/dbraw/zinc/69/71/28/1049697128.db2.gz SUYAIYNRQGISGI-YLJYHZDGSA-N 0 0 324.468 4.268 20 10 DICDRN CCN(C)c1ccc(CN[C@H](CF)c2ccc(F)cc2)cc1 ZINC001197136044 1049720948 /nfs/dbraw/zinc/72/09/48/1049720948.db2.gz VOCSTWUOKJMBGC-GOSISDBHSA-N 0 0 304.384 4.082 20 10 DICDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C1CCC(F)(F)CC1 ZINC001206472534 1049739432 /nfs/dbraw/zinc/73/94/32/1049739432.db2.gz XRQWIKMIKCGZNG-SECBINFHSA-N 0 0 321.770 4.488 20 10 DICDRN C[C@H](NC(=S)Nc1ccc(Cl)cc1)c1ccccc1O ZINC001197346574 1049740585 /nfs/dbraw/zinc/74/05/85/1049740585.db2.gz LUQYHUOZEFMSLC-JTQLQIEISA-N 0 0 306.818 4.093 20 10 DICDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC001207102257 1049833729 /nfs/dbraw/zinc/83/37/29/1049833729.db2.gz NFNRDRIKQHMHDD-HNNXBMFYSA-N 0 0 309.743 4.101 20 10 DICDRN CC(=O)Nc1sc(C)c(-c2ccccc2)c1C(=O)OC(C)C ZINC000913193178 1049847408 /nfs/dbraw/zinc/84/74/08/1049847408.db2.gz BOFCJMKTXPFQQA-UHFFFAOYSA-N 0 0 317.410 4.247 20 10 DICDRN Cc1cscc1NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000151221136 1049855247 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C[C@@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])c1cccnc1 ZINC000788507308 1050695076 /nfs/dbraw/zinc/69/50/76/1050695076.db2.gz ZIFNUGDYVTZNFI-GHMZBOCLSA-N 0 0 310.319 4.218 20 10 DICDRN COc1cc(NCc2ccc(N(C)C)c(F)c2)ccc1Cl ZINC000788528403 1050702395 /nfs/dbraw/zinc/70/23/95/1050702395.db2.gz BUSOQWPOOKGKLB-UHFFFAOYSA-N 0 0 308.784 4.166 20 10 DICDRN C[C@@H]([NH2+]CCOC1CCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788569484 1050709553 /nfs/dbraw/zinc/70/95/53/1050709553.db2.gz GGJPOXGCVPOSLY-LLVKDONJSA-N 0 0 317.351 4.021 20 10 DICDRN CCCC[C@@H](COC)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788601430 1050714633 /nfs/dbraw/zinc/71/46/33/1050714633.db2.gz JOHHOMGJSLULSA-NEPJUHHUSA-N 0 0 319.367 4.267 20 10 DICDRN Cc1oc(C(C)C)cc1C(=O)NCc1cc(Cl)ccc1O ZINC000846478053 1050722845 /nfs/dbraw/zinc/72/28/45/1050722845.db2.gz ZDJAQLMMEBOOCI-UHFFFAOYSA-N 0 0 307.777 4.000 20 10 DICDRN Cc1ccc(C2CC2)c(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC000846476795 1050722857 /nfs/dbraw/zinc/72/28/57/1050722857.db2.gz OWTSHWYRFDOEMC-UHFFFAOYSA-N 0 0 315.800 4.161 20 10 DICDRN Cc1ccc(CCCC(=O)NCc2cc(Cl)ccc2O)s1 ZINC000846477385 1050723057 /nfs/dbraw/zinc/72/30/57/1050723057.db2.gz SNJPOJCKOQWUKN-UHFFFAOYSA-N 0 0 323.845 4.055 20 10 DICDRN CC[C@@H](CSC)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788691435 1050727268 /nfs/dbraw/zinc/72/72/68/1050727268.db2.gz NFHNOVHACDKRGC-UWVGGRQHSA-N 0 0 307.381 4.203 20 10 DICDRN Cc1cc(C(=O)NC(C)(C)C2CC2)c(C)n1-c1ccc(F)cc1 ZINC000741712255 1050731164 /nfs/dbraw/zinc/73/11/64/1050731164.db2.gz LIPKRAQLBUDWCW-UHFFFAOYSA-N 0 0 314.404 4.152 20 10 DICDRN C[C@@H](NC(=O)[C@H]1CCCCC1(C)C)c1ccc(N(C)C)cc1 ZINC000788768313 1050739891 /nfs/dbraw/zinc/73/98/91/1050739891.db2.gz FCDFOLXLIMOATE-RHSMWYFYSA-N 0 0 302.462 4.146 20 10 DICDRN C[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1cccc(C(F)(F)F)c1[O-] ZINC000788763452 1050740786 /nfs/dbraw/zinc/74/07/86/1050740786.db2.gz IKBLUBQUKQYDIC-GHMZBOCLSA-N 0 0 317.351 4.019 20 10 DICDRN C[C@@H]([NH2+]CC[C@H]1CCCCO1)c1cccc(C(F)(F)F)c1[O-] ZINC000788732171 1050741483 /nfs/dbraw/zinc/74/14/83/1050741483.db2.gz CZEXMKZYAVOXDA-VXGBXAGGSA-N 0 0 317.351 4.021 20 10 DICDRN C[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1cccc(C(F)(F)F)c1[O-] ZINC000788732156 1050741886 /nfs/dbraw/zinc/74/18/86/1050741886.db2.gz CZEXMKZYAVOXDA-NEPJUHHUSA-N 0 0 317.351 4.021 20 10 DICDRN CCc1cccc(Cl)c1/C=C1\SC(=S)N(CC)C1=O ZINC000788734050 1050742632 /nfs/dbraw/zinc/74/26/32/1050742632.db2.gz VQHQGJWWCMRUQD-WQLSENKSSA-N 0 0 311.859 4.124 20 10 DICDRN CCOC[C@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])C(C)C ZINC000788778693 1050753572 /nfs/dbraw/zinc/75/35/72/1050753572.db2.gz UFIGTGCNVKBMDZ-FZMZJTMJSA-N 0 0 319.367 4.123 20 10 DICDRN CCCCCC[C@@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000741915187 1050774868 /nfs/dbraw/zinc/77/48/68/1050774868.db2.gz MZHHHAGMJOKGIC-CQSZACIVSA-N 0 0 308.441 4.114 20 10 DICDRN COc1ccc(N(Cc2ccco2)C[C@H]2CC[C@@H](C)O2)cc1F ZINC000789346578 1050813235 /nfs/dbraw/zinc/81/32/35/1050813235.db2.gz DOGAUXWBZQVALL-CZUORRHYSA-N 0 0 319.376 4.001 20 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314.388 4.425 20 10 DICDRN CO[C@H]1CCOc2c(NCc3cc(C)c(C)cc3O)cccc21 ZINC000790484926 1050962940 /nfs/dbraw/zinc/96/29/40/1050962940.db2.gz AWKZWSWPQIBHBX-SFHVURJKSA-N 0 0 313.397 4.091 20 10 DICDRN CC[C@@H]([NH2+]C[C@H]1CCSC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000790498095 1050964740 /nfs/dbraw/zinc/96/47/40/1050964740.db2.gz XQMWIBNZVJHLAY-BXKDBHETSA-N 0 0 320.285 4.493 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H]1CCSC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000790498097 1050965013 /nfs/dbraw/zinc/96/50/13/1050965013.db2.gz XQMWIBNZVJHLAY-JOYOIKCWSA-N 0 0 320.285 4.493 20 10 DICDRN CCCN(C(=O)c1cccc(O)c1O)[C@H](CC)c1ccccc1 ZINC000790596208 1050975700 /nfs/dbraw/zinc/97/57/00/1050975700.db2.gz CPHAHJCDDSPPTB-MRXNPFEDSA-N 0 0 313.397 4.101 20 10 DICDRN Cc1cc(CO)ccc1N(c1ccc(N)cc1)c1ccc(N)cc1 ZINC001214670709 1050976577 /nfs/dbraw/zinc/97/65/77/1050976577.db2.gz LFNVBMSROVMGMZ-UHFFFAOYSA-N 0 0 319.408 4.122 20 10 DICDRN Cc1cccc([C@@H](C)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000772995362 1050978102 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COc1cccc([C@@H](C)[NH2+]Cc2c([O-])ccc(Cl)c2F)c1 ZINC000790949556 1051008115 /nfs/dbraw/zinc/00/81/15/1051008115.db2.gz VKPODIQOQSBQEY-SNVBAGLBSA-N 0 0 309.768 4.044 20 10 DICDRN CCCOc1ccc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)cc1 ZINC000790948977 1051008333 /nfs/dbraw/zinc/00/83/33/1051008333.db2.gz NVCPXAVVCVJOEN-UHFFFAOYSA-N 0 0 323.795 4.263 20 10 DICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CCCc2ccccc21 ZINC000790946755 1051008724 /nfs/dbraw/zinc/00/87/24/1051008724.db2.gz VLHRFQQXVQEVLQ-HNNXBMFYSA-N 0 0 305.780 4.352 20 10 DICDRN CCOc1ccc([C@H](C)[NH2+]Cc2c([O-])ccc(Cl)c2F)cc1 ZINC000790946612 1051009111 /nfs/dbraw/zinc/00/91/11/1051009111.db2.gz FJUCUKSDGNGYCM-NSHDSACASA-N 0 0 323.795 4.434 20 10 DICDRN CC[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)c1ccccc1OC ZINC000790949126 1051009646 /nfs/dbraw/zinc/00/96/46/1051009646.db2.gz BVSQVBNJWHBFPP-AWEZNQCLSA-N 0 0 323.795 4.434 20 10 DICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000790960438 1051010238 /nfs/dbraw/zinc/01/02/38/1051010238.db2.gz SKMZCJXMLDICAB-UHFFFAOYSA-N 0 0 309.743 4.103 20 10 DICDRN C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790962897 1051010996 /nfs/dbraw/zinc/01/09/96/1051010996.db2.gz VVZIRQSXQQKENC-BMLIUANNSA-N 0 0 305.780 4.208 20 10 DICDRN CCC[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)c1ccccn1 ZINC000790959669 1051011829 /nfs/dbraw/zinc/01/18/29/1051011829.db2.gz KWODBRKYMKQMMR-ZDUSSCGKSA-N 0 0 308.784 4.211 20 10 DICDRN CC(C)c1ccsc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773010399 1051017400 /nfs/dbraw/zinc/01/74/00/1051017400.db2.gz UNRWLFIMXPWWGO-ZDUSSCGKSA-N 0 0 316.470 4.429 20 10 DICDRN COc1cc(F)c(NCc2c(O)ccc(Cl)c2F)cc1F ZINC000790980160 1051019496 /nfs/dbraw/zinc/01/94/96/1051019496.db2.gz JBOWDTYXDSPIGV-UHFFFAOYSA-N 0 0 317.694 4.084 20 10 DICDRN C[C@@H](NC(=O)[C@H](c1ccccc1)C1CC1)c1ccc(N(C)C)cc1 ZINC000773010467 1051020633 /nfs/dbraw/zinc/02/06/33/1051020633.db2.gz AJMUCUJUQWINSS-FOIQADDNSA-N 0 0 322.452 4.124 20 10 DICDRN Cc1cc(Cl)ccc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773011178 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COc1ccc(N(C)C[C@@H](OC)c2ccc(Cl)cc2)cc1 ZINC001171745973 1051204674 /nfs/dbraw/zinc/20/46/74/1051204674.db2.gz KYVPTNIAGXJQNG-QGZVFWFLSA-N 0 0 305.805 4.173 20 10 DICDRN O=C(OCc1cc(Cl)ccc1Cl)C1=CC(=O)CS1 ZINC000745001886 1051214997 /nfs/dbraw/zinc/21/49/97/1051214997.db2.gz DQUIFNIXWRHBJK-UHFFFAOYSA-N 0 0 303.166 4.118 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)CCOC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806138246 1051259076 /nfs/dbraw/zinc/25/90/76/1051259076.db2.gz XNPRRVLOWPZZEH-NOZJJQNGSA-N 0 0 306.233 4.165 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCC(C)(C)C ZINC000745607580 1051265935 /nfs/dbraw/zinc/26/59/35/1051265935.db2.gz FSJXJOIGTVPUQV-UHFFFAOYSA-N 0 0 319.493 4.109 20 10 DICDRN CC(C)(C)CNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000745768458 1051285763 /nfs/dbraw/zinc/28/57/63/1051285763.db2.gz NILOWRPXMXQRDS-UHFFFAOYSA-N 0 0 318.461 4.283 20 10 DICDRN CC[C@H](C)[C@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000745771402 1051287912 /nfs/dbraw/zinc/28/79/12/1051287912.db2.gz ABBUJHBAQXHODU-HOTGVXAUSA-N 0 0 319.493 4.107 20 10 DICDRN CC[C@@H](C)C[C@H](C)NC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000745889696 1051291896 /nfs/dbraw/zinc/29/18/96/1051291896.db2.gz IWCORSYLYYENNT-CVEARBPZSA-N 0 0 319.493 4.109 20 10 DICDRN CC(C)Oc1ccc(N(C)Cc2cnc(C(C)(C)C)nc2)cc1 ZINC000793585627 1051323690 /nfs/dbraw/zinc/32/36/90/1051323690.db2.gz CEKATRHCTRXAIV-UHFFFAOYSA-N 0 0 313.445 4.198 20 10 DICDRN CCCOc1c(F)cc(F)c(N(C)c2ccc(N)cc2)c1F ZINC001212649568 1051330609 /nfs/dbraw/zinc/33/06/09/1051330609.db2.gz MHJFIVHHSQKJOH-UHFFFAOYSA-N 0 0 310.319 4.243 20 10 DICDRN COc1cncc(Nc2ccccc2Cc2ccc(N)cc2)c1C ZINC001215735625 1051334161 /nfs/dbraw/zinc/33/41/61/1051334161.db2.gz WEZNVHLIUZNCPE-UHFFFAOYSA-N 0 0 319.408 4.315 20 10 DICDRN COc1ccc(N(CC(C)C)C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000746170462 1051334886 /nfs/dbraw/zinc/33/48/86/1051334886.db2.gz UJLSMKAIUWTZSN-LJQANCHMSA-N 0 0 317.404 4.030 20 10 DICDRN COc1ccc(N(CC(C)C)C[C@H](O)c2ccc(F)cc2)cc1 ZINC000746170461 1051335075 /nfs/dbraw/zinc/33/50/75/1051335075.db2.gz UJLSMKAIUWTZSN-IBGZPJMESA-N 0 0 317.404 4.030 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(F)(F)CC1 ZINC000794295178 1051369522 /nfs/dbraw/zinc/36/95/22/1051369522.db2.gz QWFBIMKQWLRNDO-UHFFFAOYSA-N 0 0 324.396 4.027 20 10 DICDRN Cc1cc(C(=O)N[C@@H]2CCCC23CC3)c(C)n1-c1cccc(C)c1 ZINC001170447354 1051373415 /nfs/dbraw/zinc/37/34/15/1051373415.db2.gz SJGZUBNYOKEGAN-LJQANCHMSA-N 0 0 322.452 4.465 20 10 DICDRN Cc1cc(CCNC(=O)CC(C)(C)C)c(C)n1-c1ccccc1 ZINC000746427219 1051409238 /nfs/dbraw/zinc/40/92/38/1051409238.db2.gz USBVCDMSHLGFPI-UHFFFAOYSA-N 0 0 312.457 4.189 20 10 DICDRN COc1ccc(O)c([C@@H](C)NC(=O)CCCCC(C)(C)C)c1 ZINC000804460463 1051411290 /nfs/dbraw/zinc/41/12/90/1051411290.db2.gz KGKCFDUNCWRAMU-CYBMUJFWSA-N 0 0 307.434 4.185 20 10 DICDRN CCOc1ccc(NCc2cc(C)ccc2O)c2ncccc12 ZINC000766446018 1051421861 /nfs/dbraw/zinc/42/18/61/1051421861.db2.gz ITKYARIMCLIRCS-UHFFFAOYSA-N 0 0 308.381 4.260 20 10 DICDRN Cc1ccc(Cl)cc1-c1noc(-c2nnsc2C2CC2)n1 ZINC001212679531 1051493434 /nfs/dbraw/zinc/49/34/34/1051493434.db2.gz IICDTTOYWQNOOF-UHFFFAOYSA-N 0 0 318.789 4.094 20 10 DICDRN Cc1cc(Cl)cc(-c2noc(-c3nnsc3C3CC3)n2)c1 ZINC001212679814 1051495509 /nfs/dbraw/zinc/49/55/09/1051495509.db2.gz WCQNTYYJFIIFHG-UHFFFAOYSA-N 0 0 318.789 4.094 20 10 DICDRN CC(C)c1snnc1-c1nc(-c2cccc(F)c2Cl)no1 ZINC001212687092 1051531572 /nfs/dbraw/zinc/53/15/72/1051531572.db2.gz AVMDTSKUKRCQRH-UHFFFAOYSA-N 0 0 324.768 4.171 20 10 DICDRN CC(C)c1snnc1-c1nc(-c2cc(F)ccc2Cl)no1 ZINC001212687277 1051531731 /nfs/dbraw/zinc/53/17/31/1051531731.db2.gz KWGFZEOZGMDXOM-UHFFFAOYSA-N 0 0 324.768 4.171 20 10 DICDRN Cc1ccc(Cl)cc1-c1noc(-c2nnsc2C(C)C)n1 ZINC001212687410 1051531884 /nfs/dbraw/zinc/53/18/84/1051531884.db2.gz RLPUEWDPFIGDIO-UHFFFAOYSA-N 0 0 320.805 4.340 20 10 DICDRN COc1ccc(CNc2ccnc3c(Cl)cccc23)c(O)c1 ZINC000804683469 1051535057 /nfs/dbraw/zinc/53/50/57/1051535057.db2.gz XVBHBTJZCUSPFL-UHFFFAOYSA-N 0 0 314.772 4.215 20 10 DICDRN CC(C)Oc1ccc(N(C)Cc2cc(O)ccc2Cl)cc1 ZINC001169253210 1051564320 /nfs/dbraw/zinc/56/43/20/1051564320.db2.gz RKEZWVDLQHCXDU-UHFFFAOYSA-N 0 0 305.805 4.469 20 10 DICDRN Cn1c(-c2ccccc2)cnc1SCC(=O)CC(C)(C)C ZINC000804902988 1051592231 /nfs/dbraw/zinc/59/22/31/1051592231.db2.gz ZJIULMJENQQZLJ-UHFFFAOYSA-N 0 0 302.443 4.185 20 10 DICDRN CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC001169542083 1051639296 /nfs/dbraw/zinc/63/92/96/1051639296.db2.gz YTQQEAUUHOQHGI-LRDDRELGSA-N 0 0 309.837 4.307 20 10 DICDRN CC[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)c3cccnc3c2[O-])C1 ZINC001173263091 1051663235 /nfs/dbraw/zinc/66/32/35/1051663235.db2.gz IMCYCGDHBIEXIS-YPMHNXCESA-N 0 0 304.821 4.262 20 10 DICDRN COc1ccc(N(CCOC2CCC2)Cc2cccs2)cc1 ZINC000805745731 1051681986 /nfs/dbraw/zinc/68/19/86/1051681986.db2.gz FXZYTCPUBSHRPB-UHFFFAOYSA-N 0 0 317.454 4.332 20 10 DICDRN CC[C@H]([NH2+]CCc1cccc(OC)c1)c1cccc(Cl)c1[O-] ZINC000806131867 1051733268 /nfs/dbraw/zinc/73/32/68/1051733268.db2.gz OCNFRROFMINWES-KRWDZBQOSA-N 0 0 319.832 4.338 20 10 DICDRN CC[C@H]([NH2+]C[C@H](C)COC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806132870 1051733485 /nfs/dbraw/zinc/73/34/85/1051733485.db2.gz BVNATNALCIHKTL-ZANVPECISA-N 0 0 306.233 4.022 20 10 DICDRN CC[C@H]([NH2+]CCCOC1CCCC1)c1cccc(Cl)c1[O-] ZINC000806135730 1051735185 /nfs/dbraw/zinc/73/51/85/1051735185.db2.gz OCJWBKOEQAZNIJ-INIZCTEOSA-N 0 0 311.853 4.436 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)c1c(C)noc1C)c1cccc(Cl)c1[O-] ZINC000806139037 1051738877 /nfs/dbraw/zinc/73/88/77/1051738877.db2.gz HOHACWMMQPCDTJ-YMTOWFKASA-N 0 0 308.809 4.452 20 10 DICDRN CC[C@H](C)[C@@H](O)C[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806138886 1051740586 /nfs/dbraw/zinc/74/05/86/1051740586.db2.gz DKZAHDUUGRJAME-HERUPUMHSA-N 0 0 320.260 4.147 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)CC(F)(F)F)cc1 ZINC000766927683 1051741106 /nfs/dbraw/zinc/74/11/06/1051741106.db2.gz PITCKHDNZJKIKN-NSHDSACASA-N 0 0 324.346 4.165 20 10 DICDRN CC[C@@H]([NH2+]CCN(C(C)C)C(C)C)c1cccc(Cl)c1[O-] ZINC000806129168 1051743198 /nfs/dbraw/zinc/74/31/98/1051743198.db2.gz SUPLKKTWOCINAM-MRXNPFEDSA-N 0 0 312.885 4.205 20 10 DICDRN CC[C@@H]([NH2+]CC(C)(C)N(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806129302 1051744377 /nfs/dbraw/zinc/74/43/77/1051744377.db2.gz VCJAWCSJPWZTNM-CYBMUJFWSA-N 0 0 319.276 4.080 20 10 DICDRN CC[C@H]([NH2+]CCCSC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806140711 1051747913 /nfs/dbraw/zinc/74/79/13/1051747913.db2.gz MDOJECAGKRWRGP-LBPRGKRZSA-N 0 0 308.274 4.493 20 10 DICDRN CC[C@H]([NH2+]C[C@](C)(O)CCC(C)C)c1cccc(Cl)c1[O-] ZINC000806141439 1051749676 /nfs/dbraw/zinc/74/96/76/1051749676.db2.gz SSWXYDZQKUZHBD-DOTOQJQBSA-N 0 0 313.869 4.274 20 10 DICDRN CC[C@@H]([NH2+]C[C@H](C)c1ccncc1)c1cccc(Cl)c1[O-] ZINC000806142807 1051750706 /nfs/dbraw/zinc/75/07/06/1051750706.db2.gz RBPUFPBYEOSACZ-BLLLJJGKSA-N 0 0 304.821 4.285 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1cccc(Cl)c1[O-] ZINC000806142809 1051751027 /nfs/dbraw/zinc/75/10/27/1051751027.db2.gz RBPUFPBYEOSACZ-MLGOLLRUSA-N 0 0 304.821 4.285 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccnc(SC)c1)c1cccc(Cl)c1[O-] ZINC000806142861 1051751158 /nfs/dbraw/zinc/75/11/58/1051751158.db2.gz GTDLEDSALHQKJQ-CQSZACIVSA-N 0 0 322.861 4.403 20 10 DICDRN CC[C@H]([NH2+]C[C@H](CCO)CC(C)C)c1cccc(Cl)c1[O-] ZINC000806141985 1051751184 /nfs/dbraw/zinc/75/11/84/1051751184.db2.gz MZTFRAQTTUMJRH-CJNGLKHVSA-N 0 0 313.869 4.131 20 10 DICDRN CC[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1cccc(Cl)c1[O-] ZINC000806143402 1051752566 /nfs/dbraw/zinc/75/25/66/1051752566.db2.gz VGIASWXOTQQLEP-UOJCXKCYSA-N 0 0 323.864 4.290 20 10 DICDRN COc1cnc(F)c(Nc2ccccc2Cc2ccc(N)cc2)c1 ZINC001216411978 1051753279 /nfs/dbraw/zinc/75/32/79/1051753279.db2.gz NOQOTBOCEKBHLW-UHFFFAOYSA-N 0 0 323.371 4.146 20 10 DICDRN CC[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806149541 1051754951 /nfs/dbraw/zinc/75/49/51/1051754951.db2.gz VLCAYEUGZFWOSH-JTNHKYCSSA-N 0 0 318.244 4.043 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H](C)c1c(C)noc1C)c1cccc(Cl)c1[O-] ZINC000806149035 1051755282 /nfs/dbraw/zinc/75/52/82/1051755282.db2.gz OSLXCULLBYWXPY-MEBBXXQBSA-N 0 0 322.836 4.495 20 10 DICDRN COc1cc(N(c2ccccc2)c2ccc(N)cc2)cnc1F ZINC001216422953 1051757118 /nfs/dbraw/zinc/75/71/18/1051757118.db2.gz WBUPTQMHDKFWOP-UHFFFAOYSA-N 0 0 309.344 4.281 20 10 DICDRN CC[C@@H](Nc1ccc2c(c1)OCO2)c1cccc(Cl)c1O ZINC000806152762 1051757520 /nfs/dbraw/zinc/75/75/20/1051757520.db2.gz UNFMKGXYXLSMGB-CYBMUJFWSA-N 0 0 305.761 4.338 20 10 DICDRN CC[C@H]([NH2+]CC[C@@H]1CCOC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806157080 1051758923 /nfs/dbraw/zinc/75/89/23/1051758923.db2.gz BDXPEIROKXZDKW-YGRLFVJLSA-N 0 0 318.244 4.166 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)c1cncc(F)c1)c1cccc(Cl)c1[O-] ZINC000806158126 1051760311 /nfs/dbraw/zinc/76/03/11/1051760311.db2.gz JUINTGGAYHEBAJ-BONVTDFDSA-N 0 0 308.784 4.382 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1cccc(Cl)c1[O-] ZINC000806158128 1051761242 /nfs/dbraw/zinc/76/12/42/1051761242.db2.gz JUINTGGAYHEBAJ-ZUZCIYMTSA-N 0 0 308.784 4.382 20 10 DICDRN CC[C@H]([NH2+]CC[C@@H]1CCO[C@@H](C)C1)c1cccc(Cl)c1[O-] ZINC000806158569 1051761658 /nfs/dbraw/zinc/76/16/58/1051761658.db2.gz MKEHUWDZNJKULP-ZENOOKHLSA-N 0 0 311.853 4.292 20 10 DICDRN CC[C@@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1cccc(Cl)c1[O-] ZINC000806162350 1051764582 /nfs/dbraw/zinc/76/45/82/1051764582.db2.gz VHGUMXMMKQKEIF-RHSMWYFYSA-N 0 0 322.880 4.103 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806162207 1051765621 /nfs/dbraw/zinc/76/56/21/1051765621.db2.gz YJLMEBSLOHQCNH-SMDDNHRTSA-N 0 0 316.228 4.432 20 10 DICDRN CC[C@H]([NH2+]CCC1(O)CCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806165123 1051766946 /nfs/dbraw/zinc/76/69/46/1051766946.db2.gz GSZMOYVRZNCGLI-ZDUSSCGKSA-N 0 0 318.244 4.045 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806166573 1051767095 /nfs/dbraw/zinc/76/70/95/1051767095.db2.gz UDDIVJHIPOIAOU-OXHMUOHRSA-N 0 0 320.285 4.491 20 10 DICDRN CCOc1ccc(Nc2ccccc2C(=O)c2ccncc2)cc1 ZINC001173853561 1051827775 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ZINC001200592438 1053796961 /nfs/dbraw/zinc/79/69/61/1053796961.db2.gz PLBVENLXIWKDLI-SECBINFHSA-N 0 0 324.808 4.232 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)/C(C)=C/c1ccco1 ZINC000848046742 1053816695 /nfs/dbraw/zinc/81/66/95/1053816695.db2.gz YXPBULLNHGARKW-FYWRMAATSA-N 0 0 313.397 4.217 20 10 DICDRN Cc1ncccc1/C=C/C(=O)N(C)c1ccc2ccccc2c1 ZINC001354282383 1053818088 /nfs/dbraw/zinc/81/80/88/1053818088.db2.gz KEFOUZHSTYGQKF-ZRDIBKRKSA-N 0 0 302.377 4.219 20 10 DICDRN C=Cc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1 ZINC001354324533 1053829449 /nfs/dbraw/zinc/82/94/49/1053829449.db2.gz STAAFXKSEGBFFD-UHFFFAOYSA-N 0 0 322.452 4.446 20 10 DICDRN Cc1ccc(NC(=[NH2+])NCc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC001327265309 1053845046 /nfs/dbraw/zinc/84/50/46/1053845046.db2.gz UZEBWYFHWJRSRP-UHFFFAOYSA-N 0 0 324.211 4.144 20 10 DICDRN CCC1(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)CC1 ZINC001436363903 1053857982 /nfs/dbraw/zinc/85/79/82/1053857982.db2.gz IVHPCTRDEAJUKK-UHFFFAOYSA-N 0 0 316.832 4.420 20 10 DICDRN CCCCCC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000071798967 1053869096 /nfs/dbraw/zinc/86/90/96/1053869096.db2.gz JNOOKSQXGWRVTB-UHFFFAOYSA-N 0 0 301.386 4.094 20 10 DICDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCCCF)c1 ZINC001327646465 1053870227 /nfs/dbraw/zinc/87/02/27/1053870227.db2.gz FOSFDVAELWRWAT-UHFFFAOYSA-N 0 0 322.811 4.227 20 10 DICDRN Cc1ccncc1/C=C\C(=O)N1CC[C@@H](C)c2cccc(C)c21 ZINC001436458439 1053870129 /nfs/dbraw/zinc/87/01/29/1053870129.db2.gz DWFRCSYXUHFNET-ZPIQOJFGSA-N 0 0 306.409 4.252 20 10 DICDRN CC(C)(C)OC1CC(CC[NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000763641763 1053882907 /nfs/dbraw/zinc/88/29/07/1053882907.db2.gz JPIRVUMVMYLZSG-UHFFFAOYSA-N 0 0 311.853 4.119 20 10 DICDRN COc1cc(N(C)C)ccc1CN(C)Cc1ccccc1Cl ZINC001231853630 1053890146 /nfs/dbraw/zinc/89/01/46/1053890146.db2.gz YLMSLIJBDOROTL-UHFFFAOYSA-N 0 0 318.848 4.047 20 10 DICDRN Cc1cc(O)c(CN2CCCC[C@@H]2C(F)(F)F)cc1Cl ZINC001231870727 1053897764 /nfs/dbraw/zinc/89/77/64/1053897764.db2.gz QOZMFNYFWGWFKM-CYBMUJFWSA-N 0 0 307.743 4.271 20 10 DICDRN Oc1c(CN2CCC[C@H](F)C(F)(F)C2)ccc2ccccc21 ZINC001231879977 1053901736 /nfs/dbraw/zinc/90/17/36/1053901736.db2.gz YXDPNSSVVMSMJD-HNNXBMFYSA-N 0 0 309.331 4.115 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)C(C)(C)CC(C)C)cc1 ZINC001354541164 1053902450 /nfs/dbraw/zinc/90/24/50/1053902450.db2.gz NKQCIZRHDUONSC-UHFFFAOYSA-N 0 0 304.478 4.221 20 10 DICDRN COc1cccc([C@H]2CCC[N@@H+]2Cc2cccc(Cl)c2[O-])c1 ZINC001231912742 1053915499 /nfs/dbraw/zinc/91/54/99/1053915499.db2.gz WCLAANPHIVDXSJ-QGZVFWFLSA-N 0 0 317.816 4.391 20 10 DICDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCc2c(Cl)cccc2C1 ZINC001231912295 1053917094 /nfs/dbraw/zinc/91/70/94/1053917094.db2.gz CJYIGACNNVHPGK-UHFFFAOYSA-N 0 0 308.208 4.257 20 10 DICDRN C/C(=C/c1cccnc1)C(=O)N(CC(C)C)c1ccc(C)cc1 ZINC001436878670 1053983169 /nfs/dbraw/zinc/98/31/69/1053983169.db2.gz JRMSGZRROAXYHM-ATVHPVEESA-N 0 0 308.425 4.483 20 10 DICDRN FC[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccc(F)cc1 ZINC001329360429 1053984733 /nfs/dbraw/zinc/98/47/33/1053984733.db2.gz QLHFCJKDHVZDDD-LJQANCHMSA-N 0 0 316.395 4.226 20 10 DICDRN COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2cccs2)cc1Cl ZINC001232265222 1054006026 /nfs/dbraw/zinc/00/60/26/1054006026.db2.gz RHMCAZQCNYSLLC-ZDUSSCGKSA-N 0 0 323.845 4.453 20 10 DICDRN COc1cc(O)c(C[N@H+]2Cc3ccccc3[C@H](C)C2)cc1Cl ZINC001232266951 1054006305 /nfs/dbraw/zinc/00/63/05/1054006305.db2.gz TUHZTIVTFYHTRK-GFCCVEGCSA-N 0 0 317.816 4.174 20 10 DICDRN COc1cc(O)c(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)cc1Cl ZINC001232270088 1054010469 /nfs/dbraw/zinc/01/04/69/1054010469.db2.gz SODBVOQBXOEEBQ-SWLSCSKDSA-N 0 0 309.837 4.209 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)c2c(C)cc(C)cc2C)cc1 ZINC001355002057 1054027085 /nfs/dbraw/zinc/02/70/85/1054027085.db2.gz ASPDRYXYTBJHSO-UHFFFAOYSA-N 0 0 324.468 4.388 20 10 DICDRN Cn1c(-c2ccccc2)cnc1SCc1cc(C2CC2)no1 ZINC001330250109 1054032676 /nfs/dbraw/zinc/03/26/76/1054032676.db2.gz ZFNUPPPYZXKYER-UHFFFAOYSA-N 0 0 311.410 4.245 20 10 DICDRN CCN(Cc1ccccc1)c1ccc(CNc2ccnn2C)cc1 ZINC001333263017 1054148427 /nfs/dbraw/zinc/14/84/27/1054148427.db2.gz AAKJPMQZWKEUDH-UHFFFAOYSA-N 0 0 320.440 4.059 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)Cc1ccccn1)c1cccc(C(F)(F)F)c1[O-] ZINC000848565815 1054152858 /nfs/dbraw/zinc/15/28/58/1054152858.db2.gz STXYHFWSFQBSRT-NWDGAFQWSA-N 0 0 324.346 4.088 20 10 DICDRN CCC[C@@H]1C[C@H]1C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001438299552 1054164529 /nfs/dbraw/zinc/16/45/29/1054164529.db2.gz GIKOHZLJVPWSHZ-YLJYHZDGSA-N 0 0 324.468 4.455 20 10 DICDRN Cc1cc(CNC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)c(C)n1-c1ccccc1 ZINC001438301608 1054164593 /nfs/dbraw/zinc/16/45/93/1054164593.db2.gz MSBUZRUHJFCHBW-YGHPHNMRSA-N 0 0 322.452 4.002 20 10 DICDRN C[C@@H]1CCCCC[N@@H+]1Cc1c([O-])cc(Br)cc1F ZINC001233029579 1054175122 /nfs/dbraw/zinc/17/51/22/1054175122.db2.gz DOZUCYQZDODFNS-SNVBAGLBSA-N 0 0 316.214 4.058 20 10 DICDRN Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(F)c(F)c2[O-])c1 ZINC001233073728 1054180551 /nfs/dbraw/zinc/18/05/51/1054180551.db2.gz CJLQKJFRZKXPJL-INIZCTEOSA-N 0 0 303.352 4.316 20 10 DICDRN COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001233077332 1054183505 /nfs/dbraw/zinc/18/35/05/1054183505.db2.gz JNJORFSLGOSHNI-HNNXBMFYSA-N 0 0 319.351 4.016 20 10 DICDRN [O-]c1c(F)c(F)ccc1C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001233078125 1054183725 /nfs/dbraw/zinc/18/37/25/1054183725.db2.gz GWOQOHHTVOIAIP-GFCCVEGCSA-N 0 0 323.770 4.313 20 10 DICDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)NC2(C)CC2)cc1 ZINC001334244426 1054186870 /nfs/dbraw/zinc/18/68/70/1054186870.db2.gz YGWWVZYYWWUTQQ-UHFFFAOYSA-N 0 0 322.412 4.450 20 10 DICDRN CC(C)[N@H+](C)Cc1c(O)ccc2cc(Br)ccc21 ZINC001233193917 1054198244 /nfs/dbraw/zinc/19/82/44/1054198244.db2.gz HZFGUCBUYFOBJG-UHFFFAOYSA-N 0 0 308.219 4.148 20 10 DICDRN CC(C)(C)c1ccc(O)c(CN2CC(F)(F)C[C@@]2(C)CF)c1 ZINC001233284317 1054222204 /nfs/dbraw/zinc/22/22/04/1054222204.db2.gz QAOZHCJESHUNKU-INIZCTEOSA-N 0 0 315.379 4.259 20 10 DICDRN CN(Cc1cnc(Cl)s1)Cc1cc(C(C)(C)C)ccc1O ZINC001233284467 1054222868 /nfs/dbraw/zinc/22/28/68/1054222868.db2.gz VSUWLCIGPYXVIB-UHFFFAOYSA-N 0 0 324.877 4.432 20 10 DICDRN Cc1cc(C(=O)N(C)CC2CCC2)c(C)n1-c1ccc(F)cc1 ZINC001335997384 1054230505 /nfs/dbraw/zinc/23/05/05/1054230505.db2.gz IKDIHUOELJLWBE-UHFFFAOYSA-N 0 0 314.404 4.105 20 10 DICDRN CC[N@H+](Cc1ccc(Cl)cc1)Cc1c([O-])ccc(F)c1F ZINC001233335490 1054238862 /nfs/dbraw/zinc/23/88/62/1054238862.db2.gz XMMYAKZMKNSOPG-UHFFFAOYSA-N 0 0 311.759 4.346 20 10 DICDRN COc1ccc([C@H]2CCC[N@@H+]2Cc2c([O-])ccc(F)c2F)cc1 ZINC001233334863 1054239976 /nfs/dbraw/zinc/23/99/76/1054239976.db2.gz XEJUWJBQACTLEJ-MRXNPFEDSA-N 0 0 319.351 4.016 20 10 DICDRN Nc1ccc(CNC(=O)N2CCCCC[C@H]2c2ccccc2)cc1 ZINC001337020182 1054253263 /nfs/dbraw/zinc/25/32/63/1054253263.db2.gz ZPEYVRCPRKPACK-IBGZPJMESA-N 0 0 323.440 4.096 20 10 DICDRN [O-]c1c(C[N@@H+]2CC[C@@H](c3ccccc3)C2)cccc1C(F)(F)F ZINC001233415583 1054268234 /nfs/dbraw/zinc/26/82/34/1054268234.db2.gz BKQWBZBCQLZZCR-CQSZACIVSA-N 0 0 321.342 4.401 20 10 DICDRN CCCC(=O)c1cc(O)c(O)cc1O[C@H](C)c1ccc(F)cc1 ZINC001233494211 1054279153 /nfs/dbraw/zinc/27/91/53/1054279153.db2.gz ARWSJBILKPIOSY-LLVKDONJSA-N 0 0 318.344 4.360 20 10 DICDRN CCCC(=O)c1cc(O)c(O)cc1O[C@H]1CC2CCC1CC2 ZINC001233496284 1054282235 /nfs/dbraw/zinc/28/22/35/1054282235.db2.gz DHTRQBYHOXXKOJ-MFGLSYLJSA-N 0 0 304.386 4.038 20 10 DICDRN CCCC(=O)c1cc(O)c(O)cc1O[C@@H](C)c1cccc(F)c1 ZINC001233498126 1054282538 /nfs/dbraw/zinc/28/25/38/1054282538.db2.gz UHFFYJNMQSXIRS-NSHDSACASA-N 0 0 318.344 4.360 20 10 DICDRN CCCC(=O)c1cc(O)c(O)cc1O[C@H](C)Cc1ccccc1 ZINC001233497177 1054283275 /nfs/dbraw/zinc/28/32/75/1054283275.db2.gz NOJKULRRGVOLIU-CYBMUJFWSA-N 0 0 314.381 4.091 20 10 DICDRN CCCC(=O)c1cc(O)c(O)cc1O[C@@H](C)c1ccccc1F ZINC001233499409 1054283477 /nfs/dbraw/zinc/28/34/77/1054283477.db2.gz ZGQQMSYCOUVTMU-NSHDSACASA-N 0 0 318.344 4.360 20 10 DICDRN CCCC(=O)c1cc(O)c(O)cc1O[C@H](C)c1cccs1 ZINC001233496010 1054283639 /nfs/dbraw/zinc/28/36/39/1054283639.db2.gz VGXLBRUQPHAAKZ-SNVBAGLBSA-N 0 0 306.383 4.282 20 10 DICDRN CCc1cccc(CNc2cc(NC(=O)C3CC3)ccc2C)c1O ZINC000848889658 1054285741 /nfs/dbraw/zinc/28/57/41/1054285741.db2.gz LHQPDVDIXNOZIX-UHFFFAOYSA-N 0 0 324.424 4.224 20 10 DICDRN CCc1cccc(CNc2ccc(SCCCO)cc2)c1O ZINC000848891590 1054285935 /nfs/dbraw/zinc/28/59/35/1054285935.db2.gz UFKWDQYSBLUZOV-UHFFFAOYSA-N 0 0 317.454 4.041 20 10 DICDRN CCc1cccc(CNc2ccc(C)c(NC(C)=O)c2C)c1O ZINC000848892128 1054287277 /nfs/dbraw/zinc/28/72/77/1054287277.db2.gz MGNBAIJMNJEJBE-UHFFFAOYSA-N 0 0 312.413 4.142 20 10 DICDRN CCc1cccc(CNc2cc(OC)c(Cl)c(OC)c2)c1O ZINC000848917349 1054298670 /nfs/dbraw/zinc/29/86/70/1054298670.db2.gz RFBHBIHGMAJKFK-UHFFFAOYSA-N 0 0 321.804 4.237 20 10 DICDRN CCC[C@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)C(C)C ZINC001356266003 1054311918 /nfs/dbraw/zinc/31/19/18/1054311918.db2.gz GPRTYDXONGLEJK-IBGZPJMESA-N 0 0 316.489 4.318 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)/C=C\C2CCCC2)cc1 ZINC001440671866 1054363008 /nfs/dbraw/zinc/36/30/08/1054363008.db2.gz FVPNBIXPLRSIQD-QINSGFPZSA-N 0 0 314.473 4.238 20 10 DICDRN CCC[C@H](C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC001441665783 1054395804 /nfs/dbraw/zinc/39/58/04/1054395804.db2.gz ASJLSDVXXOOBAY-LBPRGKRZSA-N 0 0 302.393 4.152 20 10 DICDRN CC(C)Cc1ccc([C@@H](C)C(=O)NCc2ccccc2O)cc1 ZINC000761956824 1054449847 /nfs/dbraw/zinc/44/98/47/1054449847.db2.gz KJIYWVWWDFNJQG-OAHLLOKOSA-N 0 0 311.425 4.011 20 10 DICDRN CCCC1(C(=O)NCc2ccc(N(CC)CC)c(F)c2)CCC1 ZINC001443767735 1054457289 /nfs/dbraw/zinc/45/72/89/1054457289.db2.gz GUWIOGKYVSPSSX-UHFFFAOYSA-N 0 0 320.452 4.259 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cccn1C1CC1 ZINC001344068123 1054462109 /nfs/dbraw/zinc/46/21/09/1054462109.db2.gz ABTCFHAGBIUULP-UHFFFAOYSA-N 0 0 311.212 4.125 20 10 DICDRN Nc1ccc(NC(=O)N2C[C@H]3CCCC[C@@]32c2ccccc2)cc1 ZINC001345114631 1054488414 /nfs/dbraw/zinc/48/84/14/1054488414.db2.gz FFDFBTADTRLEHA-OXQOHEQNSA-N 0 0 321.424 4.202 20 10 DICDRN Cc1ccccc1-c1cnc(NC(=O)C2=CC(=O)CS2)s1 ZINC001445075344 1054497130 /nfs/dbraw/zinc/49/71/30/1054497130.db2.gz PMZPKFAEXFUEEH-UHFFFAOYSA-N 0 0 316.407 4.138 20 10 DICDRN Cc1cc(C(=O)Nc2cncc(C)c2)c(C)n1-c1ccc(F)cc1 ZINC001445174669 1054499307 /nfs/dbraw/zinc/49/93/07/1054499307.db2.gz PLJVOJCULHLEBK-UHFFFAOYSA-N 0 0 323.371 4.189 20 10 DICDRN C[C@H]([NH2+]Cc1cc(-c2ccccc2)on1)c1ccc(F)cc1[O-] ZINC000185301954 1054511991 /nfs/dbraw/zinc/51/19/91/1054511991.db2.gz LJRHUPMEUDXBKW-LBPRGKRZSA-N 0 0 312.344 4.037 20 10 DICDRN Cc1ccc([C@@H](C)[NH2+][C@H](COCC(C)C)c2ccco2)c(O)c1 ZINC000185289226 1054514932 /nfs/dbraw/zinc/51/49/32/1054514932.db2.gz LASKVNRDXRKQQN-NVXWUHKLSA-N 0 0 317.429 4.358 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001445654478 1054516070 /nfs/dbraw/zinc/51/60/70/1054516070.db2.gz LWJVVSJICTZMRD-HRCADAONSA-N 0 0 303.446 4.203 20 10 DICDRN Cc1c2ccccc2n(C)c1CNc1nc2cc(F)ccc2o1 ZINC000490003008 1054518487 /nfs/dbraw/zinc/51/84/87/1054518487.db2.gz HSZNADLUMKYVKU-UHFFFAOYSA-N 0 0 309.344 4.379 20 10 DICDRN Cc1cc(C(=O)NC2(C)CCC2)c(C)n1-c1ccc(Cl)cc1 ZINC001446315615 1054534526 /nfs/dbraw/zinc/53/45/26/1054534526.db2.gz WHLMVCYVWUNUSA-UHFFFAOYSA-N 0 0 316.832 4.420 20 10 DICDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cc[nH]c1 ZINC001446795708 1054544732 /nfs/dbraw/zinc/54/47/32/1054544732.db2.gz AXTYRVHTZMHHSS-HNNXBMFYSA-N 0 0 320.392 4.124 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCC(F)(F)C1 ZINC000763864111 1054552797 /nfs/dbraw/zinc/55/27/97/1054552797.db2.gz MSTNLPYBWSDJRJ-LBPRGKRZSA-N 0 0 324.396 4.073 20 10 DICDRN COc1cc(C)cc(C(=O)Nc2cccc(N3CCCC3)c2)c1C ZINC001357835973 1054554652 /nfs/dbraw/zinc/55/46/52/1054554652.db2.gz LQBKUMSLPQVCFH-UHFFFAOYSA-N 0 0 324.424 4.165 20 10 DICDRN C[C@@H]([NH2+]Cc1ccccc1OCC1CC1)c1ccc(F)cc1[O-] ZINC000185516572 1054559245 /nfs/dbraw/zinc/55/92/45/1054559245.db2.gz ALSBZSXQYQIMPS-CYBMUJFWSA-N 0 0 315.388 4.171 20 10 DICDRN CCOCCC1(C[NH2+][C@H](C)c2cc(C)ccc2O)CCCC1 ZINC000185748348 1054631518 /nfs/dbraw/zinc/63/15/18/1054631518.db2.gz FJMPYAIHTGLXBD-MRXNPFEDSA-N 0 0 305.462 4.338 20 10 DICDRN CCOCCC1(C[NH2+][C@@H](C)c2cc(C)ccc2O)CCCC1 ZINC000185748329 1054632290 /nfs/dbraw/zinc/63/22/90/1054632290.db2.gz FJMPYAIHTGLXBD-INIZCTEOSA-N 0 0 305.462 4.338 20 10 DICDRN CN(Cc1cscn1)Cc1cccc(-c2ccccc2)c1O ZINC001234996417 1054637872 /nfs/dbraw/zinc/63/78/72/1054637872.db2.gz HJIPLIVLMKRLCP-UHFFFAOYSA-N 0 0 310.422 4.148 20 10 DICDRN CCCCC[C@H](CC)C(=O)NCc1ccc2cccnc2c1O ZINC001451950033 1054690304 /nfs/dbraw/zinc/69/03/04/1054690304.db2.gz GWYKQZWISFHXJC-AWEZNQCLSA-N 0 0 314.429 4.163 20 10 DICDRN CO[C@@H](c1nnc(-c2cc(C)n(-c3ccccc3)c2C)o1)C1CC1 ZINC001348909069 1054694530 /nfs/dbraw/zinc/69/45/30/1054694530.db2.gz OCNQRPGQXZKYBT-QGZVFWFLSA-N 0 0 323.396 4.242 20 10 DICDRN CC(C)CC(CC(C)C)C(=O)NCc1ccc(N(C)C)cc1 ZINC001348912235 1054696283 /nfs/dbraw/zinc/69/62/83/1054696283.db2.gz VOMIQLWGZBINIX-UHFFFAOYSA-N 0 0 304.478 4.077 20 10 DICDRN Cc1cc(C(=O)N(C)c2ccccc2C)c(C)n1-c1ccccn1 ZINC001453967403 1054754190 /nfs/dbraw/zinc/75/41/90/1054754190.db2.gz XMMVFXUYJDXSIM-UHFFFAOYSA-N 0 0 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[O-]c1cc(F)c(F)cc1C[NH2+]C[C@@H]1CCC[C@H]1c1ccccc1 ZINC001560852778 1060711411 /nfs/dbraw/zinc/71/14/11/1060711411.db2.gz MIGWUFOIAJKWCD-HOCLYGCPSA-N 0 0 317.379 4.344 20 10 DICDRN CSc1c(Cl)c(C)ccc1N(CCO)c1ccc(N)cc1 ZINC001250239462 1060723809 /nfs/dbraw/zinc/72/38/09/1060723809.db2.gz WLOPANRCRWFSCZ-UHFFFAOYSA-N 0 0 322.861 4.083 20 10 DICDRN COc1ccc2c(c1)CCCCN2Cc1cccc2c1NCCC2 ZINC001560866142 1060728185 /nfs/dbraw/zinc/72/81/85/1060728185.db2.gz WUYVPXMBQHAUCF-UHFFFAOYSA-N 0 0 322.452 4.396 20 10 DICDRN Cc1ccc(C[N@@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c(O)c1 ZINC001560868859 1060729563 /nfs/dbraw/zinc/72/95/63/1060729563.db2.gz PPWXELXDESHJDZ-OKILXGFUSA-N 0 0 301.352 4.254 20 10 DICDRN Cc1ccccc1CC1C[NH+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001560940478 1060804291 /nfs/dbraw/zinc/80/42/91/1060804291.db2.gz NBHGOOVEUVLQGO-UHFFFAOYSA-N 0 0 319.807 4.168 20 10 DICDRN Oc1ccc(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)cc1O ZINC001250464970 1060821821 /nfs/dbraw/zinc/82/18/21/1060821821.db2.gz 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/nfs/dbraw/zinc/04/29/00/1061042900.db2.gz ZBJWCHUFVWYLRI-UHFFFAOYSA-N 0 0 313.441 4.335 20 10 DICDRN CCc1cccc(CNc2cc(Cl)cnc2OC(C)C)c1O ZINC001462232208 1061044871 /nfs/dbraw/zinc/04/48/71/1061044871.db2.gz OOYXRGOPPRJGML-UHFFFAOYSA-N 0 0 320.820 4.402 20 10 DICDRN COCCN(Cc1cc(Cl)c(C)cc1O)c1ccccc1 ZINC001462249809 1061053535 /nfs/dbraw/zinc/05/35/35/1061053535.db2.gz NPORWODVLXZEGB-UHFFFAOYSA-N 0 0 305.805 4.007 20 10 DICDRN COc1ccc2c(c1)CCCCN2CCc1ccc2c(c1)CCO2 ZINC001473289120 1061056785 /nfs/dbraw/zinc/05/67/85/1061056785.db2.gz IKHGPLBSOHBTHT-UHFFFAOYSA-N 0 0 323.436 4.016 20 10 DICDRN Cn1c(-c2ccccc2-c2cncnc2)nc2cccc(Cl)c21 ZINC001250835902 1061086089 /nfs/dbraw/zinc/08/60/89/1061086089.db2.gz ACSNXFAHHJJCTD-UHFFFAOYSA-N 0 0 320.783 4.351 20 10 DICDRN Cn1c2ccc(Cl)cc2nc1-c1ccccc1-c1cncnc1 ZINC001250834647 1061087398 /nfs/dbraw/zinc/08/73/98/1061087398.db2.gz BRVAGOAKWDWVLX-UHFFFAOYSA-N 0 0 320.783 4.351 20 10 DICDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@H]1CCSC1 ZINC001462364481 1061130344 /nfs/dbraw/zinc/13/03/44/1061130344.db2.gz GKTNUFXJTYBIJQ-ZBFHGGJFSA-N 0 0 305.487 4.083 20 10 DICDRN CN(C)c1ccc(CN2CCCC(F)(F)C2)c(C(F)(F)F)c1 ZINC001462402036 1061152301 /nfs/dbraw/zinc/15/23/01/1061152301.db2.gz DYCSWQRPUOIPOC-UHFFFAOYSA-N 0 0 322.321 4.003 20 10 DICDRN Cc1cc(N(C)C)ccc1CNc1ccc2c(c1)[C@H](O)CCCC2 ZINC001462414148 1061157703 /nfs/dbraw/zinc/15/77/03/1061157703.db2.gz NDYCUJGCOXSTCM-OAQYLSRUSA-N 0 0 324.468 4.433 20 10 DICDRN Cc1cc(N(C)C)ccc1CNc1ccc2c(c1)[C@@H](O)CCCC2 ZINC001462414147 1061159142 /nfs/dbraw/zinc/15/91/42/1061159142.db2.gz NDYCUJGCOXSTCM-NRFANRHFSA-N 0 0 324.468 4.433 20 10 DICDRN Cc1cccc2c1CCC[C@H]2[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001462458122 1061185948 /nfs/dbraw/zinc/18/59/48/1061185948.db2.gz IETAJMHMHMEZNL-QGZVFWFLSA-N 0 0 303.352 4.146 20 10 DICDRN Cc1cc(CN2CCn3c(cc4ccccc43)C2)ccc1N(C)C ZINC001473512164 1061205084 /nfs/dbraw/zinc/20/50/84/1061205084.db2.gz SMAOESAIPJBZQA-UHFFFAOYSA-N 0 0 319.452 4.032 20 10 DICDRN CCc1coc(NC(=O)c2cc(C)ccc2-n2c(C)ccc2C)n1 ZINC001455395435 1061219609 /nfs/dbraw/zinc/21/96/09/1061219609.db2.gz WZUKBZQPVPBXLN-UHFFFAOYSA-N 0 0 323.396 4.205 20 10 DICDRN CC[C@H](CC(F)F)CN1CCCc2cc(OC)cc(OC)c21 ZINC001473553728 1061240157 /nfs/dbraw/zinc/24/01/57/1061240157.db2.gz OYNZRDOWDOROGJ-GFCCVEGCSA-N 0 0 313.388 4.138 20 10 DICDRN COc1ccc(N(CCN(C)c2ccccc2)CC(C)C)cc1 ZINC001473559494 1061246522 /nfs/dbraw/zinc/24/65/22/1061246522.db2.gz KGPBPQSFOWYNGX-UHFFFAOYSA-N 0 0 312.457 4.294 20 10 DICDRN [O-]c1c(C[NH+]2CCC(c3cccc(F)c3)CC2)ccc(F)c1F ZINC001462557475 1061258854 /nfs/dbraw/zinc/25/88/54/1061258854.db2.gz YGMUILBZKODTAE-UHFFFAOYSA-N 0 0 321.342 4.189 20 10 DICDRN CC1(C)CC(C(=O)NCc2c(O)cccc2F)CC(C)(C)C1 ZINC001456027289 1061259247 /nfs/dbraw/zinc/25/92/47/1061259247.db2.gz DNOCHFKZVQGKEG-UHFFFAOYSA-N 0 0 307.409 4.000 20 10 DICDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2CCc1ccns1 ZINC001473570325 1061259533 /nfs/dbraw/zinc/25/95/33/1061259533.db2.gz SCDQDGYOVIJYKR-HNNXBMFYSA-N 0 0 316.470 4.029 20 10 DICDRN CC[C@@H](CC1CCCCC1)C(=O)NCc1c(O)cccc1F ZINC001456027743 1061259577 /nfs/dbraw/zinc/25/95/77/1061259577.db2.gz FYCDNAORIMWKJP-AWEZNQCLSA-N 0 0 307.409 4.144 20 10 DICDRN Cc1ccc2c(ccc(C)c2C(=O)NCc2c(O)cccc2F)c1 ZINC001456029231 1061260660 /nfs/dbraw/zinc/26/06/60/1061260660.db2.gz LFGMOLRKMVKDKT-UHFFFAOYSA-N 0 0 323.367 4.231 20 10 DICDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cccc2ccsc21 ZINC001456226400 1061287660 /nfs/dbraw/zinc/28/76/60/1061287660.db2.gz AZIJMPAHRCHSHX-UHFFFAOYSA-N 0 0 324.449 4.206 20 10 DICDRN CC[C@@H](C)n1c2cc(C)ccc2nc1-c1cc(O)c(O)c(O)c1 ZINC001251248425 1061291679 /nfs/dbraw/zinc/29/16/79/1061291679.db2.gz QKYFGURPGAUPLX-LLVKDONJSA-N 0 0 312.369 4.100 20 10 DICDRN C[C@@H](C(=O)NCc1c(O)ccc2ccccc21)c1cccs1 ZINC001456312099 1061295504 /nfs/dbraw/zinc/29/55/04/1061295504.db2.gz YNJKNZXUVOHAHG-GFCCVEGCSA-N 0 0 311.406 4.027 20 10 DICDRN CC(C)c1ccc(O)c(C[NH2+]Cc2cccc(Cl)c2[O-])c1 ZINC001462656181 1061323576 /nfs/dbraw/zinc/32/35/76/1061323576.db2.gz VSJZKXHIEAHVIU-UHFFFAOYSA-N 0 0 305.805 4.164 20 10 DICDRN Oc1cc(O)c(-c2nc3cc(-c4cccs4)ccc3[nH]2)cc1O ZINC001251359066 1061331725 /nfs/dbraw/zinc/33/17/25/1061331725.db2.gz ZJYFJWXMCKRVQA-UHFFFAOYSA-N 0 0 324.361 4.075 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]2C(C)(C)C)cc1 ZINC001463441933 1061481008 /nfs/dbraw/zinc/48/10/08/1061481008.db2.gz UJVMNZUGUARVDH-SFHVURJKSA-N 0 0 310.441 4.355 20 10 DICDRN COc1c(C)ccc(NCc2ccc(N(C)C)c(F)c2)c1C ZINC001473949388 1061492444 /nfs/dbraw/zinc/49/24/44/1061492444.db2.gz BQJXHDIIVKJRQG-UHFFFAOYSA-N 0 0 302.393 4.129 20 10 DICDRN CC[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC001463632465 1061507543 /nfs/dbraw/zinc/50/75/43/1061507543.db2.gz GOKOSAXACKGNKJ-LLVKDONJSA-N 0 0 304.821 4.276 20 10 DICDRN CN(Cc1ccc(N2CCCC2)cc1)c1nc2ccccc2o1 ZINC001458085077 1061563698 /nfs/dbraw/zinc/56/36/98/1061563698.db2.gz NOVRFVHDDJHWGB-UHFFFAOYSA-N 0 0 307.397 4.064 20 10 DICDRN CN(C)c1ccc(CN(c2cc(C(C)(C)C)ncn2)C2CC2)cc1 ZINC001458120282 1061582595 /nfs/dbraw/zinc/58/25/95/1061582595.db2.gz IFEBVZQBFKSLCH-UHFFFAOYSA-N 0 0 324.472 4.009 20 10 DICDRN Cc1cnc(C)nc1NCc1ccc(N(C)C2CCCCC2)cc1 ZINC001458138002 1061590839 /nfs/dbraw/zinc/59/08/39/1061590839.db2.gz PPQJITQUDKSPDD-UHFFFAOYSA-N 0 0 324.472 4.474 20 10 DICDRN Cc1cc(CC(=O)N2CCC[C@@H](C)CC2)c(C)n1-c1ccccc1 ZINC001464597151 1061610508 /nfs/dbraw/zinc/61/05/08/1061610508.db2.gz MDENLHZBTDIQKD-MRXNPFEDSA-N 0 0 324.468 4.285 20 10 DICDRN CN(C)c1ccc(CN[C@@H](CC(C)(C)C)C(F)(F)F)cc1F ZINC001474094027 1061639059 /nfs/dbraw/zinc/63/90/59/1061639059.db2.gz YUDMBMBYJYBGIA-AWEZNQCLSA-N 0 0 320.374 4.348 20 10 DICDRN Cc1c2ccccc2n(C)c1CNc1cc2c(cc1C)OCO2 ZINC001474108431 1061659808 /nfs/dbraw/zinc/65/98/08/1061659808.db2.gz SZVVRBWCXLSRAA-UHFFFAOYSA-N 0 0 308.381 4.136 20 10 DICDRN Cc1cc(C(=O)N[C@@H]2CCC[C@H]2C)c(C)n1-c1ccccc1C ZINC001464980969 1061660759 /nfs/dbraw/zinc/66/07/59/1061660759.db2.gz CBTFGXWJWOMNJI-FZKQIMNGSA-N 0 0 310.441 4.321 20 10 DICDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001474133823 1061678897 /nfs/dbraw/zinc/67/88/97/1061678897.db2.gz AWJFSHDBOQBYIX-WBMJQRKESA-N 0 0 321.342 4.235 20 10 DICDRN O=C(NCc1c(O)cccc1F)Nc1ccc2ccccc2c1 ZINC001465201040 1061710391 /nfs/dbraw/zinc/71/03/91/1061710391.db2.gz HBERRTCORGCKSR-UHFFFAOYSA-N 0 0 310.328 4.006 20 10 DICDRN Cc1cc(C(=O)N2C[C@H](C)[C@@H](C)C2)c(C)n1-c1ccccc1C ZINC001465401887 1061746373 /nfs/dbraw/zinc/74/63/73/1061746373.db2.gz URHDQQUHMSZAPV-GJZGRUSLSA-N 0 0 310.441 4.131 20 10 DICDRN Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1ncnc2ccccc21 ZINC001458436992 1061761123 /nfs/dbraw/zinc/76/11/23/1061761123.db2.gz KNUVCRCKZYANRX-OAHLLOKOSA-N 0 0 320.440 4.047 20 10 DICDRN CN(C)c1ccc(/C=C/CNc2cncc3c2CCCC3)cc1 ZINC001474208790 1061761995 /nfs/dbraw/zinc/76/19/95/1061761995.db2.gz QDCUXIATLFYUTP-AATRIKPKSA-N 0 0 307.441 4.152 20 10 DICDRN Cc1cc(CCNc2nc(C)cnc2C)c(C)n1-c1ccccc1 ZINC001458512706 1061810218 /nfs/dbraw/zinc/81/02/18/1061810218.db2.gz ITDXEWWVOYKNPV-UHFFFAOYSA-N 0 0 320.440 4.156 20 10 DICDRN Cc1cc(CNc2nc(C)ncc2C)c(C)n1-c1cccc(C)c1 ZINC001458527987 1061821139 /nfs/dbraw/zinc/82/11/39/1061821139.db2.gz COILECWEAXHDRE-UHFFFAOYSA-N 0 0 320.440 4.422 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)c1cscc1Cl ZINC001465846460 1061821800 /nfs/dbraw/zinc/82/18/00/1061821800.db2.gz TYRAZPJDORTGMN-UHFFFAOYSA-N 0 0 309.818 4.160 20 10 DICDRN CCc1cc2c(nc(C)nc2N[C@@H](C)c2ccccc2O)s1 ZINC001458543133 1061829041 /nfs/dbraw/zinc/82/90/41/1061829041.db2.gz DZGLYVFTKMTBPL-JTQLQIEISA-N 0 0 313.426 4.441 20 10 DICDRN C[C@H](Nc1nc(C(F)F)nc2ccccc21)c1ccccc1O ZINC001458550325 1061830759 /nfs/dbraw/zinc/83/07/59/1061830759.db2.gz ZHVIMPBSASAFRN-JTQLQIEISA-N 0 0 315.323 4.446 20 10 DICDRN Cc1ccncc1/C=C\C(=O)N1CCC[C@@H](C)c2ccccc21 ZINC001458789939 1061903994 /nfs/dbraw/zinc/90/39/94/1061903994.db2.gz MQNWGRNYGPAVRF-ZBTGYSDGSA-N 0 0 306.409 4.334 20 10 DICDRN Cc1cccc(Cl)c1NC(=O)[C@@H](C)Sc1nccs1 ZINC001458913685 1061939606 /nfs/dbraw/zinc/93/96/06/1061939606.db2.gz QKLVPURJEAOTCV-SECBINFHSA-N 0 0 312.847 4.224 20 10 DICDRN CC(C)[C@@H](O)CNc1ccc(/C=C/c2ccc(N(C)C)cc2)cc1 ZINC001253773581 1061980675 /nfs/dbraw/zinc/98/06/75/1061980675.db2.gz HPOFWZLFGZKIMO-LYSGITKLSA-N 0 0 324.468 4.352 20 10 DICDRN C[C@]1(c2ccccc2)CCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001474358808 1061981384 /nfs/dbraw/zinc/98/13/84/1061981384.db2.gz VTUMACMDSVJTIR-IBGZPJMESA-N 0 0 317.379 4.224 20 10 DICDRN Cc1cccc(C[N@H+](Cc2cccc(F)c2[O-])CC(C)C)c1 ZINC001474362866 1061989201 /nfs/dbraw/zinc/98/92/01/1061989201.db2.gz QVVPWENAVSEEAX-UHFFFAOYSA-N 0 0 301.405 4.498 20 10 DICDRN Clc1cnc(SCc2nc(-c3cccs3)no2)s1 ZINC001459199292 1062032213 /nfs/dbraw/zinc/03/22/13/1062032213.db2.gz OUCXVHNHOCZXMC-UHFFFAOYSA-N 0 0 315.832 4.200 20 10 DICDRN COc1ccc2c(c1)CCN2Cc1cc(Br)cs1 ZINC001474386579 1062039144 /nfs/dbraw/zinc/03/91/44/1062039144.db2.gz FFCYMCQUAIEZLG-UHFFFAOYSA-N 0 0 324.243 4.082 20 10 DICDRN CC(C)[C@@H]1CC[N@@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC001474393522 1062048524 /nfs/dbraw/zinc/04/85/24/1062048524.db2.gz SOKDULKDHWYHLJ-LBPRGKRZSA-N 0 0 318.642 4.038 20 10 DICDRN C[C@@H]1Cc2ccccc2N(Cc2cc(Cl)c(F)cc2O)C1 ZINC001474430179 1062103267 /nfs/dbraw/zinc/10/32/67/1062103267.db2.gz VIVDIRWEPSQRGY-LLVKDONJSA-N 0 0 305.780 4.384 20 10 DICDRN CC1(C)CN(Cc2cc(F)ccc2O)c2cccc(Cl)c21 ZINC001474433187 1062109437 /nfs/dbraw/zinc/10/94/37/1062109437.db2.gz KYXBVSILDAJTQA-UHFFFAOYSA-N 0 0 305.780 4.483 20 10 DICDRN Cc1cc(O)c(CNc2cc3c(cc2C)OCO3)c(Cl)c1 ZINC001474435798 1062110895 /nfs/dbraw/zinc/11/08/95/1062110895.db2.gz MSLCQPAPJPVJQU-UHFFFAOYSA-N 0 0 305.761 4.003 20 10 DICDRN COc1ccc(N(C)Cc2ccc(Cl)cc2F)cc1OC ZINC001459393473 1062123633 /nfs/dbraw/zinc/12/36/33/1062123633.db2.gz MUCDUTVIJXLQMA-UHFFFAOYSA-N 0 0 309.768 4.133 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H]1CCC[C@@H]1C ZINC001467441016 1062130701 /nfs/dbraw/zinc/13/07/01/1062130701.db2.gz GMQBDNKIKRIPFO-SWLSCSKDSA-N 0 0 316.470 4.322 20 10 DICDRN CCCCOc1ccc(NCc2cccc(CC)c2O)cn1 ZINC001474459565 1062138169 /nfs/dbraw/zinc/13/81/69/1062138169.db2.gz GHAZSZMXCXCGBQ-UHFFFAOYSA-N 0 0 300.402 4.141 20 10 DICDRN CCCCCNC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001467616063 1062157112 /nfs/dbraw/zinc/15/71/12/1062157112.db2.gz FCSVQDLOPVNDBG-UHFFFAOYSA-N 0 0 313.445 4.084 20 10 DICDRN Cc1cc(C(=O)N2CCC3(CCC3)C2)c(C)n1-c1ccccc1C ZINC001467651428 1062175458 /nfs/dbraw/zinc/17/54/58/1062175458.db2.gz ICCODDDZGOPGLJ-UHFFFAOYSA-N 0 0 322.452 4.419 20 10 DICDRN CCCC(CCC)[NH2+]Cc1cccc(Br)c1[O-] ZINC001474496018 1062176668 /nfs/dbraw/zinc/17/66/68/1062176668.db2.gz LEGCEUYSUYGPAB-UHFFFAOYSA-N 0 0 300.240 4.213 20 10 DICDRN [O-]c1c(C[NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)ccc(F)c1F ZINC001474497688 1062180446 /nfs/dbraw/zinc/18/04/46/1062180446.db2.gz LGOQSGDQRHNZAS-SWLSCSKDSA-N 0 0 321.342 4.235 20 10 DICDRN CCCOC1(C[NH2+]Cc2cccc(Cl)c2[O-])CCCCC1 ZINC001474503239 1062184125 /nfs/dbraw/zinc/18/41/25/1062184125.db2.gz IYOQPWADSDDABB-UHFFFAOYSA-N 0 0 311.853 4.265 20 10 DICDRN CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc(C)cc(Br)c1[O-] ZINC001474505258 1062186922 /nfs/dbraw/zinc/18/69/22/1062186922.db2.gz RFRHBHXSFFABLN-WCQYABFASA-N 0 0 312.251 4.226 20 10 DICDRN Oc1ccc(F)cc1CNCC(F)(F)c1ccc(Cl)cc1 ZINC001474511318 1062193940 /nfs/dbraw/zinc/19/39/40/1062193940.db2.gz JKUOUMGHBMDCEG-UHFFFAOYSA-N 0 0 315.722 4.066 20 10 DICDRN COc1ccc2c(c1)CCCCN2Cc1cc(F)cc(F)c1O ZINC001474556159 1062258928 /nfs/dbraw/zinc/25/89/28/1062258928.db2.gz COQJBRYWLMUWNK-UHFFFAOYSA-N 0 0 319.351 4.022 20 10 DICDRN CCCCOCCN(Cc1ccco1)c1ccc(OC)c(F)c1 ZINC001459668272 1062288547 /nfs/dbraw/zinc/28/85/47/1062288547.db2.gz BGGHBDBVBJDPIW-UHFFFAOYSA-N 0 0 321.392 4.251 20 10 DICDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1cncc(Cl)c1 ZINC001459678946 1062300621 /nfs/dbraw/zinc/30/06/21/1062300621.db2.gz YXUWSRGJHFOYEO-UHFFFAOYSA-N 0 0 324.758 4.289 20 10 DICDRN COc1ccc(N(C)C[C@H]2CC(C)(C)OC2(C)C)cc1Cl ZINC001459714390 1062330410 /nfs/dbraw/zinc/33/04/10/1062330410.db2.gz GBEFYRFDELNDLE-GFCCVEGCSA-N 0 0 311.853 4.379 20 10 DICDRN C[C@@H](CSc1ccccc1)[N@H+](C)Cc1cccc(F)c1[O-] ZINC001474617636 1062338911 /nfs/dbraw/zinc/33/89/11/1062338911.db2.gz XUOOGQQKSHTVRB-ZDUSSCGKSA-N 0 0 305.418 4.144 20 10 DICDRN Cc1cc(O)c(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c(Cl)c1 ZINC001474630670 1062353028 /nfs/dbraw/zinc/35/30/28/1062353028.db2.gz PSXMJTBVZHRZTC-RDTXWAMCSA-N 0 0 323.864 4.135 20 10 DICDRN O=C(CCCC1CCCC1)Nc1c2nonc2ccc1Cl ZINC001459788238 1062401104 /nfs/dbraw/zinc/40/11/04/1062401104.db2.gz JWTSSNRDHXCWBI-UHFFFAOYSA-N 0 0 307.781 4.175 20 10 DICDRN Cc1ccc(CNc2ccc(N3CCCCC3)c(F)c2)c(O)c1 ZINC001474680007 1062409861 /nfs/dbraw/zinc/40/98/61/1062409861.db2.gz SLQXSCQTLFDLGX-UHFFFAOYSA-N 0 0 314.404 4.442 20 10 DICDRN COc1ccc(N(C)Cc2cccc3ccccc32)c(OC)c1 ZINC001459802541 1062411518 /nfs/dbraw/zinc/41/15/18/1062411518.db2.gz ZIACZJAGSXEOJT-UHFFFAOYSA-N 0 0 307.393 4.493 20 10 DICDRN Cc1cc(C(=O)N[C@@H](C)C(F)F)c(C)n1-c1cc(C)cc(C)c1 ZINC001468856847 1062421154 /nfs/dbraw/zinc/42/11/54/1062421154.db2.gz JYYIMUHJNFAVSB-ZDUSSCGKSA-N 0 0 320.383 4.094 20 10 DICDRN [O-]c1cccc(F)c1C[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC001474717316 1062443222 /nfs/dbraw/zinc/44/32/22/1062443222.db2.gz ZZRDAFAQELGTFE-UHFFFAOYSA-N 0 0 315.319 4.220 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC(C)(C)C[C@H]1C ZINC001469055103 1062469143 /nfs/dbraw/zinc/46/91/43/1062469143.db2.gz HDWQJKHZGCTCEX-CQSZACIVSA-N 0 0 316.470 4.416 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)O[C@@H](C)CC(C)C)cc1 ZINC001474851489 1062475539 /nfs/dbraw/zinc/47/55/39/1062475539.db2.gz CUSQCHSYVXSDKU-HNNXBMFYSA-N 0 0 306.450 4.194 20 10 DICDRN CC(C)CCCCCC(=O)NCc1ccc2cccnc2c1O ZINC001469250232 1062510686 /nfs/dbraw/zinc/51/06/86/1062510686.db2.gz RWNNQWLNFXTBGD-UHFFFAOYSA-N 0 0 314.429 4.163 20 10 DICDRN C[C@@H](NC(=O)OCc1cccc(Cl)c1)c1ccccc1O ZINC001475585600 1062515216 /nfs/dbraw/zinc/51/52/16/1062515216.db2.gz ABEQOLXPEVDNAW-LLVKDONJSA-N 0 0 305.761 4.033 20 10 DICDRN CCOC1CN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC001475821775 1062522316 /nfs/dbraw/zinc/52/23/16/1062522316.db2.gz WHQJGCYQUGDEAP-UHFFFAOYSA-N 0 0 324.384 4.355 20 10 DICDRN C[C@@H](CSc1ccc(F)cc1)[N@H+](C)Cc1ccccc1O ZINC001255746552 1062568756 /nfs/dbraw/zinc/56/87/56/1062568756.db2.gz GVUCUHUSLOMKMV-ZDUSSCGKSA-N 0 0 305.418 4.144 20 10 DICDRN Cc1ccc(SC[C@H](C)[N@@H+]2CCc3cccc(O)c3C2)cc1 ZINC001255769951 1062592302 /nfs/dbraw/zinc/59/23/02/1062592302.db2.gz JLVINFDLQZZCGA-HNNXBMFYSA-N 0 0 313.466 4.240 20 10 DICDRN COc1ccc(N(CCC(C)C)Cc2cc(Cl)n(C)n2)cc1 ZINC001460053372 1062604038 /nfs/dbraw/zinc/60/40/38/1062604038.db2.gz IHRYYIOQXHYKPI-UHFFFAOYSA-N 0 0 321.852 4.135 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1C[C@H]2CCCC[C@H]21 ZINC001469829854 1062639262 /nfs/dbraw/zinc/63/92/62/1062639262.db2.gz YDZSPLVBAVNOMR-IEBWSBKVSA-N 0 0 322.452 4.417 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[C@@H]1CC ZINC001470208687 1062723742 /nfs/dbraw/zinc/72/37/42/1062723742.db2.gz CBHYTKIOXZHFOL-HOTGVXAUSA-N 0 0 318.461 4.140 20 10 DICDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2CCOCCC(C)C ZINC001460282007 1062753084 /nfs/dbraw/zinc/75/30/84/1062753084.db2.gz BKMFWBWDWYAJLB-SFHVURJKSA-N 0 0 319.489 4.393 20 10 DICDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2CCC[C@@H]1CCOC1 ZINC001460288369 1062761513 /nfs/dbraw/zinc/76/15/13/1062761513.db2.gz YNYBQQGPUJOYJT-SJLPKXTDSA-N 0 0 317.473 4.147 20 10 DICDRN Cc1ncsc1/C=C/C(=O)N1CC[C@@H](C)c2cccc(C)c21 ZINC001460354229 1062802544 /nfs/dbraw/zinc/80/25/44/1062802544.db2.gz NMYVZRCLXASJGX-ABZNLYFFSA-N 0 0 312.438 4.314 20 10 DICDRN C[C@H](NC(=O)N[C@@H]1CCCC12CCCCC2)c1ccccc1O ZINC001470792438 1062863496 /nfs/dbraw/zinc/86/34/96/1062863496.db2.gz HFPMFNCJFQCZDH-WMLDXEAASA-N 0 0 316.445 4.255 20 10 DICDRN CCC[C@H](NC(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC001477502024 1062895512 /nfs/dbraw/zinc/89/55/12/1062895512.db2.gz UPHLZEUMVOUZMQ-YOEHRIQHSA-N 0 0 312.413 4.294 20 10 DICDRN Cc1ncc(/C=C/C(=O)N2CCC(C)(C)c3ccccc32)s1 ZINC001460616810 1062936729 /nfs/dbraw/zinc/93/67/29/1062936729.db2.gz KJXSTGIZPSMASY-CMDGGOBGSA-N 0 0 312.438 4.179 20 10 DICDRN C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1O ZINC001471195126 1062938783 /nfs/dbraw/zinc/93/87/83/1062938783.db2.gz CQFGOLAETZHFGA-VIFPVBQESA-N 0 0 310.180 4.190 20 10 DICDRN C[C@H](NC(=O)CCCc1ccccc1Cl)c1ccccc1O ZINC001471195466 1062940117 /nfs/dbraw/zinc/94/01/17/1062940117.db2.gz XWDDMJYDVRXHMI-ZDUSSCGKSA-N 0 0 317.816 4.246 20 10 DICDRN C[C@@H](NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12)c1ccccc1O ZINC001471195638 1062941321 /nfs/dbraw/zinc/94/13/21/1062941321.db2.gz JPWSMCRZDKQLAL-YALNPMBYSA-N 0 0 301.430 4.176 20 10 DICDRN CC(C)[C@@H](CC1CCCCC1)C(=O)NCc1c(O)cccc1F ZINC001471975793 1063038169 /nfs/dbraw/zinc/03/81/69/1063038169.db2.gz HQFFFUIGSSWNTP-OAHLLOKOSA-N 0 0 321.436 4.390 20 10 DICDRN Cc1cc(C(=O)N[C@]23C[C@H]2CCC3)c(C)n1-c1ccccc1C ZINC001472031653 1063041985 /nfs/dbraw/zinc/04/19/85/1063041985.db2.gz RKTKVBJIBBCWRR-OXQOHEQNSA-N 0 0 308.425 4.075 20 10 DICDRN c1ccn(-c2ccc(-c3nnc(CCc4ccsc4)o3)cc2)c1 ZINC001256930465 1063054692 /nfs/dbraw/zinc/05/46/92/1063054692.db2.gz JKMUZIQAFDRICV-UHFFFAOYSA-N 0 0 321.405 4.374 20 10 DICDRN Cc1ccc(O)c(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)c1 ZINC001256941210 1063057567 /nfs/dbraw/zinc/05/75/67/1063057567.db2.gz UKPHWRLRZGBQDX-UHFFFAOYSA-N 0 0 317.348 4.208 20 10 DICDRN C[C@@H](c1nnc(-c2ccc(-n3cccc3)cc2)o1)c1cccnc1 ZINC001256957091 1063058118 /nfs/dbraw/zinc/05/81/18/1063058118.db2.gz GKZQTAHUBPEHCR-CQSZACIVSA-N 0 0 316.364 4.074 20 10 DICDRN FC(F)(F)[C@@H]1C[C@@H]1c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256966040 1063060608 /nfs/dbraw/zinc/06/06/08/1063060608.db2.gz REOUQNUWJMBOKI-QWHCGFSZSA-N 0 0 319.286 4.193 20 10 DICDRN c1ccn(-c2ccc(-c3nnc(C4(CC5CC5)CC4)o3)cc2)c1 ZINC001256969714 1063060629 /nfs/dbraw/zinc/06/06/29/1063060629.db2.gz DUEWYLPCEOEWED-UHFFFAOYSA-N 0 0 305.381 4.359 20 10 DICDRN FC(F)(F)[C@H]1C[C@@H]1c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256966041 1063061924 /nfs/dbraw/zinc/06/19/24/1063061924.db2.gz REOUQNUWJMBOKI-STQMWFEESA-N 0 0 319.286 4.193 20 10 DICDRN CCC[C@@H](CC(C)=O)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256965436 1063062660 /nfs/dbraw/zinc/06/26/60/1063062660.db2.gz BHVHBCOZEDUKJT-INIZCTEOSA-N 0 0 323.396 4.390 20 10 DICDRN CC1(C)C[C@@H](c2nnc(-c3ccc(-n4cccc4)cc3)o2)CCO1 ZINC001256965976 1063063109 /nfs/dbraw/zinc/06/31/09/1063063109.db2.gz PBNLRPPFYKGSDZ-HNNXBMFYSA-N 0 0 323.396 4.200 20 10 DICDRN C[C@H](c1nnc(-c2ccc(-n3cccc3)cc2)o1)C(F)(F)F ZINC001256970178 1063063934 /nfs/dbraw/zinc/06/39/34/1063063934.db2.gz KYDBTXNSMNEUMK-SNVBAGLBSA-N 0 0 307.275 4.193 20 10 DICDRN FC1(F)CC(Cc2nnc(-c3ccc(-n4cccc4)cc3)o2)C1 ZINC001256970552 1063064705 /nfs/dbraw/zinc/06/47/05/1063064705.db2.gz UZUYQRNVRLALFT-UHFFFAOYSA-N 0 0 315.323 4.115 20 10 DICDRN c1ccn(-c2ccc(-c3nnc([C@@H]4C[C@@H]5CC[C@H]4C5)o3)cc2)c1 ZINC001256969986 1063066115 /nfs/dbraw/zinc/06/61/15/1063066115.db2.gz HYDWHGJKOOKCKY-UKPHBRMFSA-N 0 0 305.381 4.431 20 10 DICDRN O=C(/C=C\c1ccc(Cl)cc1)NCc1cccc(Cl)c1O ZINC001472317023 1063069961 /nfs/dbraw/zinc/06/99/61/1063069961.db2.gz RRVPNPJWOXNHMG-TWGQIWQCSA-N 0 0 322.191 4.029 20 10 DICDRN Cc1cc(O)cc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)c1 ZINC001256988039 1063071466 /nfs/dbraw/zinc/07/14/66/1063071466.db2.gz MAUXTXZXNGKORZ-UHFFFAOYSA-N 0 0 317.348 4.208 20 10 DICDRN Clc1ccc(-c2ccc(Sc3nccs3)nn2)s1 ZINC001472666979 1063132097 /nfs/dbraw/zinc/13/20/97/1063132097.db2.gz ZGLWLGOGNKFNMY-UHFFFAOYSA-N 0 0 311.844 4.466 20 10 DICDRN CCc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001478370228 1063151695 /nfs/dbraw/zinc/15/16/95/1063151695.db2.gz VCCVGTVFRJQZIW-KGLIPLIRSA-N 0 0 312.413 4.076 20 10 DICDRN Cc1nc(C)c(C)c(NCc2ccc(N3CCC(C)CC3)cc2)n1 ZINC001472689876 1063152410 /nfs/dbraw/zinc/15/24/10/1063152410.db2.gz CUSMZTXPJMYWHR-UHFFFAOYSA-N 0 0 324.472 4.250 20 10 DICDRN Cc1cc(CC(=O)N2C[C@H](C)[C@@H](C)[C@H]2C)c(C)n1-c1ccccc1 ZINC001461022008 1063194863 /nfs/dbraw/zinc/19/48/63/1063194863.db2.gz KCYUUTNDAQCMNB-USXIJHARSA-N 0 0 324.468 4.140 20 10 DICDRN C[C@@H](Nc1nc(C2CCCC2)ns1)c1ccc(N(C)C)cc1 ZINC001472763378 1063215403 /nfs/dbraw/zinc/21/54/03/1063215403.db2.gz RUNUXICWGFPGAK-GFCCVEGCSA-N 0 0 316.474 4.435 20 10 DICDRN CCN(CC)c1ccc(CNc2ccccc2OC)cc1F ZINC001461057516 1063223304 /nfs/dbraw/zinc/22/33/04/1063223304.db2.gz TVRBNVDPHLXDRR-UHFFFAOYSA-N 0 0 302.393 4.293 20 10 DICDRN CC1(C)CCC[C@H](CNC(=O)NCc2cccc(Cl)c2O)C1 ZINC001478830053 1063302325 /nfs/dbraw/zinc/30/23/25/1063302325.db2.gz UCDDZOJZGGUGRC-LBPRGKRZSA-N 0 0 324.852 4.061 20 10 DICDRN Oc1c(Cl)cccc1CNc1cc(C2CC2)nc(C2CC2)n1 ZINC001472899643 1063309594 /nfs/dbraw/zinc/30/95/94/1063309594.db2.gz ZEYDXONIHPLCCH-UHFFFAOYSA-N 0 0 315.804 4.203 20 10 DICDRN CC[C@H](C)n1ncc(NCc2cc(F)cc(F)c2O)c1C1CC1 ZINC001461382961 1063461406 /nfs/dbraw/zinc/46/14/06/1063461406.db2.gz PQLFSOJTHIAVCI-JTQLQIEISA-N 0 0 321.371 4.327 20 10 DICDRN CN(C)c1ccc(CNc2ccc3ncsc3c2)cc1F ZINC001461394067 1063471501 /nfs/dbraw/zinc/47/15/01/1063471501.db2.gz QAOLIBLOILUODO-UHFFFAOYSA-N 0 0 301.390 4.114 20 10 DICDRN CCN(CC)c1ccc(CNc2cc3c(cc2C)OCO3)cc1 ZINC001461425281 1063493140 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Cc1csc([C@@H]2CC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)n1 ZINC001308928633 1066403508 /nfs/dbraw/zinc/40/35/08/1066403508.db2.gz QOTSDCPYRIFXPP-GFCCVEGCSA-N 0 0 322.861 4.108 20 10 DICDRN C[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2F)c2ccsc2S1 ZINC001308948906 1066413264 /nfs/dbraw/zinc/41/32/64/1066413264.db2.gz SFGKFLLFZBIGEP-ZANVPECISA-N 0 0 309.431 4.308 20 10 DICDRN Cc1cccc(C)c1C[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC001308959624 1066419880 /nfs/dbraw/zinc/41/98/80/1066419880.db2.gz WQHHBWAGVZMFCA-UHFFFAOYSA-N 0 0 307.796 4.434 20 10 DICDRN Cc1cc(CNC(=O)OC(C)(C)C)c(C)n1-c1ccccc1 ZINC001309749080 1066465327 /nfs/dbraw/zinc/46/53/27/1066465327.db2.gz HZAVFRMPDGTMBZ-UHFFFAOYSA-N 0 0 300.402 4.119 20 10 DICDRN C[C@H]([NH2+][C@@H](c1cccs1)C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756364253 1066468289 /nfs/dbraw/zinc/46/82/89/1066468289.db2.gz JDIAIGIUPUMMEP-MGPLVRAMSA-N 0 0 318.398 4.164 20 10 DICDRN CC(C)[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000756356969 1066468411 /nfs/dbraw/zinc/46/84/11/1066468411.db2.gz AGHZEIZLNJOSCQ-FZKQIMNGSA-N 0 0 314.385 4.348 20 10 DICDRN CCc1cc(NC(=O)NCc2cc(Cl)ccc2O)ccc1F ZINC001310713614 1066553834 /nfs/dbraw/zinc/55/38/34/1066553834.db2.gz QQNFIROBMIPPHR-UHFFFAOYSA-N 0 0 322.767 4.069 20 10 DICDRN CCCCCC[C@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001311413446 1066638600 /nfs/dbraw/zinc/63/86/00/1066638600.db2.gz SWWWRXOVIRKKNI-JKSUJKDBSA-N 0 0 319.493 4.472 20 10 DICDRN CCCCCC[C@@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001311413445 1066638998 /nfs/dbraw/zinc/63/89/98/1066638998.db2.gz SWWWRXOVIRKKNI-HZPDHXFCSA-N 0 0 319.493 4.472 20 10 DICDRN C[C@H](NC(=O)N[C@H]1CC(C)(C)c2ccccc21)c1ccccc1O ZINC001312255784 1066766716 /nfs/dbraw/zinc/76/67/16/1066766716.db2.gz SLERLUFEQJEKRF-GUYCJALGSA-N 0 0 324.424 4.175 20 10 DICDRN C[C@H](NC(=O)N[C@@H]1CC(C)(C)c2ccccc21)c1ccccc1O ZINC001312255787 1066767265 /nfs/dbraw/zinc/76/72/65/1066767265.db2.gz SLERLUFEQJEKRF-SUMWQHHRSA-N 0 0 324.424 4.175 20 10 DICDRN C[C@@H](NC(=O)NC1(C)CCC(C)CC1)c1ccc(N(C)C)cc1 ZINC001312531462 1066812390 /nfs/dbraw/zinc/81/23/90/1066812390.db2.gz MBDLHGMORZCTLV-XAUUPUKJSA-N 0 0 317.477 4.082 20 10 DICDRN CCC1(CC)CCC(NC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC001312624588 1066829998 /nfs/dbraw/zinc/82/99/98/1066829998.db2.gz YGGYQWZGEBELEZ-UHFFFAOYSA-N 0 0 316.445 4.166 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1[O-] ZINC000297379730 529652477 /nfs/dbraw/zinc/65/24/77/529652477.db2.gz QYEBYMIODBMAEM-ZBEGNZNMSA-N 0 0 318.348 4.241 20 10 DICDRN Cc1ccc(SCCC(=O)Nc2ccc(N)cc2)cc1C ZINC000019846456 182156425 /nfs/dbraw/zinc/15/64/25/182156425.db2.gz LJFMRJZBGCRFSM-UHFFFAOYSA-N 0 0 300.427 4.007 20 10 DICDRN COc1ccc(O)c([C@H](C)Nc2ccc(Br)cc2)c1 ZINC000019923175 182165071 /nfs/dbraw/zinc/16/50/71/182165071.db2.gz WBXVXCZQJNZKTL-JTQLQIEISA-N 0 0 322.202 4.336 20 10 DICDRN CCC1CCC([NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000042577407 183287125 /nfs/dbraw/zinc/28/71/25/183287125.db2.gz XFRGZPZQZZOGTF-UHFFFAOYSA-N 0 0 312.251 4.213 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)c1ccccc1 ZINC000066687767 184423903 /nfs/dbraw/zinc/42/39/03/184423903.db2.gz IQABHVOKMGZJCP-OAHLLOKOSA-N 0 0 312.413 4.075 20 10 DICDRN CCc1nc(C)c([C@H](C)[N@H+](C)Cc2cccc(F)c2[O-])s1 ZINC000272297406 130016988 /nfs/dbraw/zinc/01/69/88/130016988.db2.gz PAWNBENOXORLSC-NSHDSACASA-N 0 0 308.422 4.052 20 10 DICDRN C[C@@H](Nc1ccc(CCO)cc1)c1ccc(N2CCCCC2)cc1 ZINC000272310368 130019005 /nfs/dbraw/zinc/01/90/05/130019005.db2.gz SXTRZVRSJKFQAC-QGZVFWFLSA-N 0 0 324.468 4.385 20 10 DICDRN C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273298294 130103431 /nfs/dbraw/zinc/10/34/31/130103431.db2.gz APEBNSRFRWOCFN-KPZWWZAWSA-N 0 0 312.369 4.102 20 10 DICDRN Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273385070 130113750 /nfs/dbraw/zinc/11/37/50/130113750.db2.gz JIWCHIXQQICJNJ-OLZOCXBDSA-N 0 0 300.358 4.021 20 10 DICDRN Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273441307 130121557 /nfs/dbraw/zinc/12/15/57/130121557.db2.gz YNAUOVAQJPAIQJ-OLZOCXBDSA-N 0 0 300.358 4.021 20 10 DICDRN Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273441305 130122424 /nfs/dbraw/zinc/12/24/24/130122424.db2.gz YNAUOVAQJPAIQJ-CHWSQXEVSA-N 0 0 300.358 4.021 20 10 DICDRN COc1cc(OC)c(N[C@H](C)c2ccc(C)cc2O)cc1F ZINC000273480616 130126097 /nfs/dbraw/zinc/12/60/97/130126097.db2.gz UMFWEHRDLCTMHP-LLVKDONJSA-N 0 0 305.349 4.030 20 10 DICDRN COc1cc(OC)c(N[C@@H](C)c2ccc(C)cc2O)cc1F ZINC000273480620 130126684 /nfs/dbraw/zinc/12/66/84/130126684.db2.gz UMFWEHRDLCTMHP-NSHDSACASA-N 0 0 305.349 4.030 20 10 DICDRN C[C@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)c1ccc(F)cc1[O-] ZINC000273503632 130129654 /nfs/dbraw/zinc/12/96/54/130129654.db2.gz QOMHREDMGJUANY-ZFWWWQNUSA-N 0 0 307.409 4.064 20 10 DICDRN C[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273539589 130133150 /nfs/dbraw/zinc/13/31/50/130133150.db2.gz YBCHQCJTRAVQHY-VWYCJHECSA-N 0 0 318.244 4.165 20 10 DICDRN COc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])c1 ZINC000276902515 130557959 /nfs/dbraw/zinc/55/79/59/130557959.db2.gz JEIBMSDFGJRZQK-QWRGUYRKSA-N 0 0 307.340 4.091 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)CC(C)(C)C(F)(F)F ZINC000279970561 130773918 /nfs/dbraw/zinc/77/39/18/130773918.db2.gz DFWCHFWMHDCGBM-UHFFFAOYSA-N 0 0 317.351 4.109 20 10 DICDRN CC[C@@H]([NH2+][C@H]1CCCC12CCOCC2)c1cccc(Cl)c1[O-] ZINC000286950767 131257432 /nfs/dbraw/zinc/25/74/32/131257432.db2.gz HJWHMOCEWWPLSM-CVEARBPZSA-N 0 0 323.864 4.436 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccc([C@H](C)O)cc1)c1cccc(Cl)c1[O-] ZINC000287269837 131271915 /nfs/dbraw/zinc/27/19/15/131271915.db2.gz AWMYSMCSTRSWTF-YVEFUNNKSA-N 0 0 319.832 4.340 20 10 DICDRN CC[C@H]([NH2+]Cc1cc(C)no1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287569163 131288001 /nfs/dbraw/zinc/28/80/01/131288001.db2.gz GSDLDWMMBJKXIY-ZDUSSCGKSA-N 0 0 315.200 4.236 20 10 DICDRN CSc1cccc(F)c1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000287697963 131295178 /nfs/dbraw/zinc/29/51/78/131295178.db2.gz WZIDXXZBJOOCCQ-SNVBAGLBSA-N 0 0 309.381 4.243 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc(Cl)nc1)c1cccc(Cl)c1[O-] ZINC000287738950 131297879 /nfs/dbraw/zinc/29/78/79/131297879.db2.gz POAASFCMIQFDCY-ZDUSSCGKSA-N 0 0 311.212 4.335 20 10 DICDRN COc1ccc(O)c([C@H](C)Nc2ccc([C@H]3CCOC3)cc2)c1 ZINC000295020519 131879145 /nfs/dbraw/zinc/87/91/45/131879145.db2.gz NRIKAKMDWOKAJV-ZFWWWQNUSA-N 0 0 313.397 4.078 20 10 DICDRN CCOc1ccc(N[C@@H](C)c2ccc(F)cc2O)cc1OC ZINC000170789214 332636339 /nfs/dbraw/zinc/63/63/39/332636339.db2.gz BRVNHWKPSAZCQN-NSHDSACASA-N 0 0 305.349 4.112 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCOc2c(Cl)cccc21)c1ccc(F)cc1[O-] ZINC000185185104 333205140 /nfs/dbraw/zinc/20/51/40/333205140.db2.gz PPFQWOFDHSLVDL-MEBBXXQBSA-N 0 0 321.779 4.359 20 10 DICDRN COc1cc(Cl)ccc1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185399511 333208160 /nfs/dbraw/zinc/20/81/60/333208160.db2.gz XCPLJAFKUWUGFW-SNVBAGLBSA-N 0 0 309.768 4.044 20 10 DICDRN Cc1ccc(O)c([C@@H](C)Nc2cccc(NC(=O)C3CC3)c2)c1 ZINC000192743729 336260350 /nfs/dbraw/zinc/26/03/50/336260350.db2.gz RDHCZSOVSNWHBL-CYBMUJFWSA-N 0 0 310.397 4.222 20 10 DICDRN Cc1cc(N(C)C)ccc1CNc1nc(C(F)(F)F)cs1 ZINC000301742251 336326940 /nfs/dbraw/zinc/32/69/40/336326940.db2.gz VIGUBDGXQFIVDI-UHFFFAOYSA-N 0 0 315.364 4.148 20 10 DICDRN O=[N+]([O-])c1ccc(Sc2nccs2)cc1C(F)(F)F ZINC000301835560 336333090 /nfs/dbraw/zinc/33/30/90/336333090.db2.gz ULWVMBMKLCPMDO-UHFFFAOYSA-N 0 0 306.290 4.221 20 10 DICDRN O=[N+]([O-])c1ccc(Sc2nccs2)nc1-c1ccccc1 ZINC000301840363 336333527 /nfs/dbraw/zinc/33/35/27/336333527.db2.gz APWGQZXYTGNMHD-UHFFFAOYSA-N 0 0 315.379 4.265 20 10 DICDRN CCCN(Cc1ccccc1O)c1cc(Cl)nc(C2CC2)n1 ZINC000301966119 336340270 /nfs/dbraw/zinc/34/02/70/336340270.db2.gz OHHOUENNTZKPGZ-UHFFFAOYSA-N 0 0 317.820 4.130 20 10 DICDRN O=[N+]([O-])c1ccccc1N(Cc1ccco1)Cc1ccccc1O ZINC000301976897 336340970 /nfs/dbraw/zinc/34/09/70/336340970.db2.gz CYSGMZLEDPMTOJ-UHFFFAOYSA-N 0 0 324.336 4.100 20 10 DICDRN O=[N+]([O-])c1ccc(N(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000301979017 336341071 /nfs/dbraw/zinc/34/10/71/336341071.db2.gz FLRAKHGCFSKODQ-UHFFFAOYSA-N 0 0 324.336 4.100 20 10 DICDRN Cc1cccc2c(N[C@@H](C)c3ccc(N(C)C)cc3)ncnc12 ZINC000302446946 336358987 /nfs/dbraw/zinc/35/89/87/336358987.db2.gz SFMHJJUIZCFDMQ-AWEZNQCLSA-N 0 0 306.413 4.177 20 10 DICDRN C[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(N(C)C)cc1 ZINC000302451404 336359058 /nfs/dbraw/zinc/35/90/58/336359058.db2.gz SXNPBRKUXUYBKL-SNVBAGLBSA-N 0 0 321.327 4.112 20 10 DICDRN C[C@@H](Nc1ncnc2c(F)cccc12)c1ccc(N(C)C)cc1 ZINC000302854356 336372082 /nfs/dbraw/zinc/37/20/82/336372082.db2.gz RCJFDZQIZPLFBO-GFCCVEGCSA-N 0 0 310.376 4.008 20 10 DICDRN C[C@H]([NH2+]Cc1cccc(-c2cccnc2)c1)c1ccc(F)cc1[O-] ZINC000372094534 336921919 /nfs/dbraw/zinc/92/19/19/336921919.db2.gz KUXDNSPILLXRLS-AWEZNQCLSA-N 0 0 322.383 4.444 20 10 DICDRN CC[C@@H]([NH2+][C@H]1CCCc2nc(C)sc21)c1ccc(F)cc1[O-] ZINC000375888167 337022106 /nfs/dbraw/zinc/02/21/06/337022106.db2.gz KMWFJRWSFSISSB-HIFRSBDPSA-N 0 0 320.433 4.415 20 10 DICDRN COc1ccccc1[C@@H](N[C@@H](C)c1ccccc1O)c1ccco1 ZINC000183621832 337193960 /nfs/dbraw/zinc/19/39/60/337193960.db2.gz PFSOMUXWGSLZSY-VBKZILBWSA-N 0 0 323.392 4.434 20 10 DICDRN C[C@H]([NH2+]CC[C@@H]1CCCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000527929107 337776254 /nfs/dbraw/zinc/77/62/54/337776254.db2.gz OCYBBIBNAFIPKK-QWRGUYRKSA-N 0 0 318.244 4.166 20 10 DICDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccc(C)cc1C ZINC000471124666 339337772 /nfs/dbraw/zinc/33/77/72/339337772.db2.gz NJQVCKYLXAVATR-UHFFFAOYSA-N 0 0 321.424 4.425 20 10 DICDRN CCCCSCCC(=O)NCc1c(C)c2ccccc2n1C ZINC000471230896 339340671 /nfs/dbraw/zinc/34/06/71/339340671.db2.gz XLZJTIKKGCXWMA-UHFFFAOYSA-N 0 0 318.486 4.026 20 10 DICDRN C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C1CC(F)(F)C1 ZINC000529569969 340763868 /nfs/dbraw/zinc/76/38/68/340763868.db2.gz LQSTYWFXWRRTBO-ZETCQYMHSA-N 0 0 310.171 4.222 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000529646136 340766418 /nfs/dbraw/zinc/76/64/18/340766418.db2.gz ZXKQXNNWLOQHAC-QGZVFWFLSA-N 0 0 320.795 4.211 20 10 DICDRN CC(C)(C)c1cnc(SCc2nnc3n2CCCCC3)s1 ZINC000366146495 519078952 /nfs/dbraw/zinc/07/89/52/519078952.db2.gz XLPVTEKMLAGBLM-UHFFFAOYSA-N 0 0 322.503 4.051 20 10 DICDRN CC(C)Oc1ccccc1C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000191212366 519784387 /nfs/dbraw/zinc/78/43/87/519784387.db2.gz KAQFDDSUKAUHFB-GFCCVEGCSA-N 0 0 321.367 4.308 20 10 DICDRN CCOCc1ccc(C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])cc1 ZINC000191199423 520193703 /nfs/dbraw/zinc/19/37/03/520193703.db2.gz BFXNYUQCGZEPDO-GFCCVEGCSA-N 0 0 321.367 4.058 20 10 DICDRN CC1(CNC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)COC1 ZINC000112732879 520721500 /nfs/dbraw/zinc/72/15/00/520721500.db2.gz QFYFBQDDCWIRJW-QURGRASLSA-N 0 0 324.384 4.260 20 10 DICDRN CCN(CC)c1ccc(CN[C@H](C)c2csc(C)n2)cc1F ZINC000265751693 520911566 /nfs/dbraw/zinc/91/15/66/520911566.db2.gz HTGYQJHIJVCVMA-GFCCVEGCSA-N 0 0 321.465 4.288 20 10 DICDRN CC[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1[O-])c1ccc(OC)cc1 ZINC000191186019 522738929 /nfs/dbraw/zinc/73/89/29/522738929.db2.gz BXYPYABVTUIXTQ-BZNIZROVSA-N 0 0 321.367 4.481 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1ccc(F)c(F)c1[O-] ZINC000191180056 525606666 /nfs/dbraw/zinc/60/66/66/525606666.db2.gz MZEZXHRGFLMLGB-DTWKUNHWSA-N 0 0 313.294 4.360 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)c1ccc(F)c(F)c1[O-] ZINC000191183099 525608876 /nfs/dbraw/zinc/60/88/76/525608876.db2.gz TXWBJKRJULQDLN-DTWKUNHWSA-N 0 0 313.294 4.360 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000158193513 525647409 /nfs/dbraw/zinc/64/74/09/525647409.db2.gz TXJYALVZGYKANO-NRXGSXMXSA-N 0 0 315.388 4.102 20 10 DICDRN Cc1ccc([C@H](C)Nc2ccc(O[C@@H]3CCOC3)cc2)c(O)c1 ZINC000186321111 525947214 /nfs/dbraw/zinc/94/72/14/525947214.db2.gz TUYPSYMCJDHXFG-WMLDXEAASA-N 0 0 313.397 4.041 20 10 DICDRN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)N1CCC[C@@H]1CO ZINC000118535350 527153512 /nfs/dbraw/zinc/15/35/12/527153512.db2.gz TYAADAASJYFXAV-SGRLSNSRSA-N 0 0 324.384 4.091 20 10 DICDRN CC[C@@H]([NH2+]CC1(CCO)CCCC1)c1cccc(Cl)c1[O-] ZINC000287773638 535803127 /nfs/dbraw/zinc/80/31/27/535803127.db2.gz RSWUPDVRXBVACE-OAHLLOKOSA-N 0 0 311.853 4.029 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H]1CCCOC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287654333 535804689 /nfs/dbraw/zinc/80/46/89/535804689.db2.gz LJRSEPMQFUSCMP-IINYFYTJSA-N 0 0 318.244 4.166 20 10 DICDRN CC[C@@H]([NH2+][C@H](CCOC)c1ccc(C)o1)c1ccc(F)cc1[O-] ZINC000286329676 535808895 /nfs/dbraw/zinc/80/88/95/535808895.db2.gz YJDDGDNYHXNYCJ-HZPDHXFCSA-N 0 0 321.392 4.251 20 10 DICDRN CC[C@@H](Nc1ccc(C)c(NC(C)=O)c1)c1ccc(F)cc1O ZINC000286218187 535809661 /nfs/dbraw/zinc/80/96/61/535809661.db2.gz SEMVLIKQEITBOL-MRXNPFEDSA-N 0 0 316.376 4.361 20 10 DICDRN CC[C@H]([NH2+]C[C@H](C)c1ncc(C)s1)c1ccc(F)cc1[O-] ZINC000286073651 535908331 /nfs/dbraw/zinc/90/83/31/535908331.db2.gz LFCRIYONVQIIQH-HZMBPMFUSA-N 0 0 308.422 4.141 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1[O-] ZINC000287729712 535917647 /nfs/dbraw/zinc/91/76/47/535917647.db2.gz PAYSDOJBGXPQGT-HNNXBMFYSA-N 0 0 320.776 4.195 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1ccc(F)cc1[O-] ZINC000286270968 535940199 /nfs/dbraw/zinc/94/01/99/535940199.db2.gz VJAMNXINJHGWJC-JKSUJKDBSA-N 0 0 319.351 4.235 20 10 DICDRN CC[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1ccc(F)cc1[O-] ZINC000286366124 535947278 /nfs/dbraw/zinc/94/72/78/535947278.db2.gz ZYIFTWUZWWJKQW-HOCLYGCPSA-N 0 0 307.409 4.064 20 10 DICDRN CC[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287281428 535947669 /nfs/dbraw/zinc/94/76/69/535947669.db2.gz BLHPLJJGZCILGE-CHIMOYNISA-N 0 0 318.244 4.307 20 10 DICDRN C[C@H]([NH2+]CC[C@]1(C)CC1(Cl)Cl)c1ccc(F)cc1[O-] ZINC000834892794 1046701805 /nfs/dbraw/zinc/70/18/05/1046701805.db2.gz MJGOCYISSCKNCI-TVQRCGJNSA-N 0 0 306.208 4.156 20 10 DICDRN CC[C@@H]([NH2+][C@@H](CC)COC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775509987 1049046525 /nfs/dbraw/zinc/04/65/25/1049046525.db2.gz SYHXSJNVTCEDKW-JOYOIKCWSA-N 0 0 306.233 4.165 20 10 DICDRN CC[C@H]([NH2+]CCC1(O)CCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000793562851 1051318724 /nfs/dbraw/zinc/31/87/24/1051318724.db2.gz CLLGOAQVUYFRHF-LBPRGKRZSA-N 0 0 318.244 4.045 20 10 DICDRN CC[C@H](COC)[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806141718 1051749444 /nfs/dbraw/zinc/74/94/44/1051749444.db2.gz UZLGOYBLFYSTBM-MFKMUULPSA-N 0 0 306.233 4.165 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001625794003 1035681757 /nfs/dbraw/zinc/68/17/57/1035681757.db2.gz AKTDXDVDHIOZSA-SOLBZPMBSA-N 0 0 316.489 4.173 20 10 DICDRN CC[C@@H]1CCCC[C@H]1C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC001625794601 1035688345 /nfs/dbraw/zinc/68/83/45/1035688345.db2.gz MJAIXIHAQJNKOL-IEBWSBKVSA-N 0 0 316.489 4.318 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)CC2CCCC2)cc1 ZINC000728219256 1036034990 /nfs/dbraw/zinc/03/49/90/1036034990.db2.gz KSXGEBLYVGVLMI-UHFFFAOYSA-N 0 0 302.462 4.072 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)c2cccc(C)c2C)cc1 ZINC000728220194 1036046585 /nfs/dbraw/zinc/04/65/85/1036046585.db2.gz WFMUEERJWXCABX-UHFFFAOYSA-N 0 0 324.468 4.422 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)CC2CCCCC2)cc1 ZINC000728223046 1036067483 /nfs/dbraw/zinc/06/74/83/1036067483.db2.gz UFEFCJBDIGOWJO-UHFFFAOYSA-N 0 0 316.489 4.462 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)CSC(C)(C)C)cc1 ZINC000728222857 1036070811 /nfs/dbraw/zinc/07/08/11/1036070811.db2.gz PAVDFEILLBGOFQ-UHFFFAOYSA-N 0 0 322.518 4.023 20 10 DICDRN CC(C)CC[C@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000042411770 1036119777 /nfs/dbraw/zinc/11/97/77/1036119777.db2.gz FTBIUQBIUTWCMC-NSHDSACASA-N 0 0 300.240 4.069 20 10 DICDRN O=C(c1ccc(Cl)cc1)c1ccccc1Nc1ccnnc1 ZINC001209961106 1036318447 /nfs/dbraw/zinc/31/84/47/1036318447.db2.gz OYMQFOYCUICVCX-UHFFFAOYSA-N 0 0 309.756 4.105 20 10 DICDRN CCC1(CC)CN(C(=O)/C=C/c2cccnc2)c2ccccc21 ZINC001266454887 1036323082 /nfs/dbraw/zinc/32/30/82/1036323082.db2.gz LCPPPTYYDRLNSZ-VAWYXSNFSA-N 0 0 306.409 4.199 20 10 DICDRN C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1O ZINC001648889719 1036672525 /nfs/dbraw/zinc/67/25/25/1036672525.db2.gz IVSLUHSFMXLYMW-SECBINFHSA-N 0 0 310.180 4.190 20 10 DICDRN COc1ccc(Br)cc1NCc1cc(C)ccc1O ZINC000071408500 1036688983 /nfs/dbraw/zinc/68/89/83/1036688983.db2.gz BWQRXMRICMIOJV-UHFFFAOYSA-N 0 0 322.202 4.084 20 10 DICDRN CC(=O)Nc1ccc(NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000074333346 1036697712 /nfs/dbraw/zinc/69/77/12/1036697712.db2.gz YGMPDGMEKRZMGJ-UHFFFAOYSA-N 0 0 323.440 4.247 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCC1=CCCC1 ZINC001167341030 1036819241 /nfs/dbraw/zinc/81/92/41/1036819241.db2.gz CZUWWCJENSBDBU-UHFFFAOYSA-N 0 0 308.425 4.243 20 10 DICDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)[C@@H]1CCCOC1 ZINC000255165310 1036897142 /nfs/dbraw/zinc/89/71/42/1036897142.db2.gz XLFVODWMDKQCPK-CQSZACIVSA-N 0 0 309.369 4.467 20 10 DICDRN Cc1nccn1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255172164 1036966996 /nfs/dbraw/zinc/96/69/96/1036966996.db2.gz VCRHMKKFMQAVNR-UHFFFAOYSA-N 0 0 319.368 4.246 20 10 DICDRN Cc1cc(C)c(NC(=S)NCc2ccccc2O)c(Cl)c1 ZINC000748156992 1037006075 /nfs/dbraw/zinc/00/60/75/1037006075.db2.gz IADGDARMWYJINP-UHFFFAOYSA-N 0 0 320.845 4.149 20 10 DICDRN CCCn1nccc1Nc1ccc(CCc2ccc(N)cc2)cc1 ZINC001210917161 1037050043 /nfs/dbraw/zinc/05/00/43/1037050043.db2.gz QIMQDGLXFYHYFY-UHFFFAOYSA-N 0 0 320.440 4.404 20 10 DICDRN CCCn1nccc1Nc1ccc(Cc2ccc(N)cc2)cc1 ZINC001210918163 1037052369 /nfs/dbraw/zinc/05/23/69/1037052369.db2.gz UWPMXZWVGMHIEG-UHFFFAOYSA-N 0 0 306.413 4.210 20 10 DICDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)NC1(CO)CCC1 ZINC000255196217 1037063646 /nfs/dbraw/zinc/06/36/46/1037063646.db2.gz CURRSOJBGBVCKS-UHFFFAOYSA-N 0 0 324.384 4.139 20 10 DICDRN CC[C@H]([NH2+]CCC(C)(F)F)c1cc(Br)ccc1O ZINC000386199457 1037227823 /nfs/dbraw/zinc/22/78/23/1037227823.db2.gz SRPKIIVBRHBRLD-NSHDSACASA-N 0 0 322.193 4.241 20 10 DICDRN C[C@@H]([NH2+]CCC1CC(F)(F)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000834907846 1037751637 /nfs/dbraw/zinc/75/16/37/1037751637.db2.gz DLKVYYKIKBQFQR-SECBINFHSA-N 0 0 323.305 4.497 20 10 DICDRN CC(C)CC(CC(C)C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001125534530 1037994656 /nfs/dbraw/zinc/99/46/56/1037994656.db2.gz KWDVJZQIIVOQCH-UHFFFAOYSA-N 0 0 322.468 4.216 20 10 DICDRN Cc1ccnc(N2CC=C(c3c[nH]c4ncccc34)CC2)c1Cl ZINC000341419924 1038006346 /nfs/dbraw/zinc/00/63/46/1038006346.db2.gz QSLZGLFPAWAPER-UHFFFAOYSA-N 0 0 324.815 4.213 20 10 DICDRN C[C@@H](Nc1ccc2c(c1)OC(C)(C)O2)c1ccc(F)cc1O ZINC000170789099 1038202192 /nfs/dbraw/zinc/20/21/92/1038202192.db2.gz BPRPWCJWZMXBBH-SNVBAGLBSA-N 0 0 303.333 4.212 20 10 DICDRN C[C@H](Nc1ccc(N2CCCC2)c(F)c1)c1ccc(F)cc1O ZINC000170789571 1038203003 /nfs/dbraw/zinc/20/30/03/1038203003.db2.gz NPRHOPOZKIWKEL-LBPRGKRZSA-N 0 0 318.367 4.444 20 10 DICDRN COc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])c1 ZINC000276902508 1038271278 /nfs/dbraw/zinc/27/12/78/1038271278.db2.gz JEIBMSDFGJRZQK-GHMZBOCLSA-N 0 0 307.340 4.091 20 10 DICDRN CCN(C)c1ccc([C@@H](C)Nc2cnn([C@@H](C)C3CC3)c2)cc1 ZINC000187622921 1038281593 /nfs/dbraw/zinc/28/15/93/1038281593.db2.gz DHKYLHIBLMIHLI-CABCVRRESA-N 0 0 312.461 4.483 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])c1c(F)cccc1F ZINC000276933646 1038286832 /nfs/dbraw/zinc/28/68/32/1038286832.db2.gz OOIPJJWFVLZWLT-DTWKUNHWSA-N 0 0 313.294 4.360 20 10 DICDRN CCSc1cc(C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])ccn1 ZINC000276983301 1038320953 /nfs/dbraw/zinc/32/09/53/1038320953.db2.gz WKHRKJVHRFDOAA-SNVBAGLBSA-N 0 0 324.396 4.028 20 10 DICDRN CSCCCCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000229518015 1038353724 /nfs/dbraw/zinc/35/37/24/1038353724.db2.gz QYZCSCDHICKHHP-UHFFFAOYSA-N 0 0 308.274 4.322 20 10 DICDRN CCCN(CCC)c1ccc(C[NH2+][C@@H](C)CCCC(=O)[O-])cc1 ZINC000277207807 1038452368 /nfs/dbraw/zinc/45/23/68/1038452368.db2.gz GZPDAEIFFAMRAN-INIZCTEOSA-N 0 0 320.477 4.046 20 10 DICDRN Cc1cc(N(c2ccc(N)cc2)c2ccc(N)cc2)cnc1F ZINC001212190588 1038508065 /nfs/dbraw/zinc/50/80/65/1038508065.db2.gz HQPLLMMXUBECJZ-UHFFFAOYSA-N 0 0 308.360 4.163 20 10 DICDRN CS[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000230699406 1038621949 /nfs/dbraw/zinc/62/19/49/1038621949.db2.gz LDQJPLCEYDIQKG-QWRGUYRKSA-N 0 0 306.258 4.073 20 10 DICDRN C[C@H](Nc1ccc(N(C)C)c(Cl)c1)c1ccc(F)cc1O ZINC000062747744 1038624608 /nfs/dbraw/zinc/62/46/08/1038624608.db2.gz XKXZETMZLFOHNZ-JTQLQIEISA-N 0 0 308.784 4.424 20 10 DICDRN CCN1C(=O)/C(=C\c2csc(Cl)c2Cl)SC1=S ZINC000761377222 1038634445 /nfs/dbraw/zinc/63/44/45/1038634445.db2.gz QXBSHTDHYMQISN-ZZXKWVIFSA-N 0 0 324.279 4.276 20 10 DICDRN C/C=C\C[C@H](CO)[NH2+][C@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000588513306 1038635091 /nfs/dbraw/zinc/63/50/91/1038635091.db2.gz XQBJTQGHFOLZIL-KMOZTTGJSA-N 0 0 318.244 4.067 20 10 DICDRN C/C=C\C[C@H](CO)[NH2+][C@@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000588513307 1038635340 /nfs/dbraw/zinc/63/53/40/1038635340.db2.gz XQBJTQGHFOLZIL-ZRIUIHNJSA-N 0 0 318.244 4.067 20 10 DICDRN Oc1ccccc1CNc1cccc(-c2ncc3n2CCCC3)c1 ZINC000277665116 1038689047 /nfs/dbraw/zinc/68/90/47/1038689047.db2.gz HGWKWXDZNNZLQI-UHFFFAOYSA-N 0 0 319.408 4.204 20 10 DICDRN FC(F)(F)c1cccc(NCc2ccc(N3CCCC3)cc2)n1 ZINC000063508720 1038757490 /nfs/dbraw/zinc/75/74/90/1038757490.db2.gz OOAPHRUEQBJTIJ-UHFFFAOYSA-N 0 0 321.346 4.313 20 10 DICDRN COc1ccc(N(C)Cc2csc(C(C)(C)C)n2)cc1OC ZINC000063617364 1038782220 /nfs/dbraw/zinc/78/22/20/1038782220.db2.gz SOCJXUYZUCRFDT-UHFFFAOYSA-N 0 0 320.458 4.094 20 10 DICDRN Cc1cc(C(=O)Nc2ccc(F)cn2)c(C)n1-c1ccccc1C ZINC000728515342 1038799599 /nfs/dbraw/zinc/79/95/99/1038799599.db2.gz AONZRFSTLDAXGO-UHFFFAOYSA-N 0 0 323.371 4.189 20 10 DICDRN Oc1cccc2c1[C@H](Nc1ccc(OCC(F)(F)F)cc1)CC2 ZINC000323924731 1038942045 /nfs/dbraw/zinc/94/20/45/1038942045.db2.gz WENUJBIZAXLKPB-CQSZACIVSA-N 0 0 323.314 4.433 20 10 DICDRN CCC(CC)[N@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708133209 1038953553 /nfs/dbraw/zinc/95/35/53/1038953553.db2.gz IRRZHSUQFFKYKK-UHFFFAOYSA-N 0 0 320.658 4.429 20 10 DICDRN CC1(C)CC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708134236 1038955927 /nfs/dbraw/zinc/95/59/27/1038955927.db2.gz PWGQVVRSSBYQMK-UHFFFAOYSA-N 0 0 318.642 4.040 20 10 DICDRN CCOc1ccc(N[C@H]2CCc3cccc(O)c32)cc1OCC ZINC000323938532 1038961044 /nfs/dbraw/zinc/96/10/44/1038961044.db2.gz ZRVSXTIHKCIDIT-HNNXBMFYSA-N 0 0 313.397 4.289 20 10 DICDRN COc1cccc(CNc2cc(C)nc3c(F)cccc23)c1O ZINC000091479434 1038990983 /nfs/dbraw/zinc/99/09/83/1038990983.db2.gz SKELLHGMSMIPIQ-UHFFFAOYSA-N 0 0 312.344 4.009 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@H]2C2CC2)cc1 ZINC000728535214 1039049087 /nfs/dbraw/zinc/04/90/87/1039049087.db2.gz VIFYYEXTLPGDRX-IBGZPJMESA-N 0 0 308.425 4.109 20 10 DICDRN COc1ccc(N[C@H](C)c2ccccc2O)cc1Br ZINC000088318839 1039208209 /nfs/dbraw/zinc/20/82/09/1039208209.db2.gz YLILCQSUXYBCFL-SNVBAGLBSA-N 0 0 322.202 4.336 20 10 DICDRN Cc1ccc(C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])cn1 ZINC000278191540 1039264925 /nfs/dbraw/zinc/26/49/25/1039264925.db2.gz FNJDMEHBCUEPQG-JTQLQIEISA-N 0 0 311.212 4.253 20 10 DICDRN CCOc1ccc(N(CC)Cc2cccc(NC(C)=O)c2)cc1 ZINC000725798260 1039277940 /nfs/dbraw/zinc/27/79/40/1039277940.db2.gz SNVAPBKSIQEVAX-UHFFFAOYSA-N 0 0 312.413 4.070 20 10 DICDRN COc1cc(Br)cc(N[C@@H](C)c2ccccc2O)c1 ZINC000168986498 1039643153 /nfs/dbraw/zinc/64/31/53/1039643153.db2.gz XEGIJVBJHOAZII-JTQLQIEISA-N 0 0 322.202 4.336 20 10 DICDRN C[C@@H](Sc1nccs1)C(=O)Nc1cccc2ccccc21 ZINC000052913931 1039651718 /nfs/dbraw/zinc/65/17/18/1039651718.db2.gz FJJSXOIWXBVRTB-LLVKDONJSA-N 0 0 314.435 4.416 20 10 DICDRN C[C@H](Sc1nccs1)C(=O)Nc1ccc2ccccc2c1 ZINC000052913832 1039652509 /nfs/dbraw/zinc/65/25/09/1039652509.db2.gz ZSEBZKNGCKTKEZ-NSHDSACASA-N 0 0 314.435 4.416 20 10 DICDRN COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000170789360 1039826819 /nfs/dbraw/zinc/82/68/19/1039826819.db2.gz WKBVWMVHERSIHN-QWRGUYRKSA-N 0 0 307.340 4.091 20 10 DICDRN COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000170789366 1039828091 /nfs/dbraw/zinc/82/80/91/1039828091.db2.gz WKBVWMVHERSIHN-WDEREUQCSA-N 0 0 307.340 4.091 20 10 DICDRN CC(C)C(=O)Nc1ccc(N[C@@H]2CCc3cccc(O)c32)cc1 ZINC000324089339 1039867909 /nfs/dbraw/zinc/86/79/09/1039867909.db2.gz AMUXKHMOEVEIJT-MRXNPFEDSA-N 0 0 310.397 4.086 20 10 DICDRN CSc1ccccc1C(=O)N1CCSC[C@H]1C(C)(C)C ZINC001272532834 1040128173 /nfs/dbraw/zinc/12/81/73/1040128173.db2.gz VJPQTXAPALBOKN-AWEZNQCLSA-N 0 0 309.500 4.012 20 10 DICDRN C[C@@H](Nc1ccc(OC(F)F)c(F)c1)c1cc(F)ccc1O ZINC000176985775 1040312423 /nfs/dbraw/zinc/31/24/23/1040312423.db2.gz NQTYAEVDZGPEQX-MRVPVSSYSA-N 0 0 315.266 4.445 20 10 DICDRN C/C(=C/C(=O)N(C)Cc1ccccc1O)c1cccc(Cl)c1 ZINC000255764552 1040472102 /nfs/dbraw/zinc/47/21/02/1040472102.db2.gz AGJCGNFPJCXQFD-RAXLEYEMSA-N 0 0 315.800 4.108 20 10 DICDRN CC[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccc(F)cc1[O-] ZINC000796664601 1040517130 /nfs/dbraw/zinc/51/71/30/1040517130.db2.gz ZWCGBEWLVFRFCP-QGZVFWFLSA-N 0 0 312.388 4.296 20 10 DICDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N(C)C2CC2)cc1 ZINC000255896920 1041048460 /nfs/dbraw/zinc/04/84/60/1041048460.db2.gz QIFVLNOULCWAJO-UHFFFAOYSA-N 0 0 322.412 4.402 20 10 DICDRN CC/C(C)=C\C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC001131785146 1041202005 /nfs/dbraw/zinc/20/20/05/1041202005.db2.gz MSTMOXIDGDILNW-SQFISAMPSA-N 0 0 310.441 4.109 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000809728676 1041223862 /nfs/dbraw/zinc/22/38/62/1041223862.db2.gz FIMHZVNTRYPBIZ-OAHLLOKOSA-N 0 0 323.223 4.431 20 10 DICDRN C[C@@H](Nc1cccc(NC(=O)C2CC2)c1)c1cc(F)ccc1O ZINC000176980921 1041230588 /nfs/dbraw/zinc/23/05/88/1041230588.db2.gz JTDJQPDXIJNGGI-LLVKDONJSA-N 0 0 314.360 4.053 20 10 DICDRN CC(C)[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CS1 ZINC000809776124 1041237854 /nfs/dbraw/zinc/23/78/54/1041237854.db2.gz VSALLLTYEPSMJW-WCQYABFASA-N 0 0 320.285 4.319 20 10 DICDRN CC[N@H+](Cc1c([O-])ccc(Cl)c1F)[C@H](C)c1cccnc1 ZINC000809765343 1041250565 /nfs/dbraw/zinc/25/05/65/1041250565.db2.gz MWJZEKZKRKVKPL-LLVKDONJSA-N 0 0 308.784 4.163 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@]2(C)C[C@H]3C[C@H]3C2)cc1 ZINC001131916454 1041269358 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ZINC000810208503 1041346726 /nfs/dbraw/zinc/34/67/26/1041346726.db2.gz VXNCUIJGALFMME-HNNXBMFYSA-N 0 0 324.346 4.089 20 10 DICDRN CC[C@H](C[NH2+][C@@H](CC)c1ccc(Cl)c(Cl)c1[O-])OC ZINC000810260215 1041349376 /nfs/dbraw/zinc/34/93/76/1041349376.db2.gz GXUOVHFKEFKZPI-SKDRFNHKSA-N 0 0 306.233 4.165 20 10 DICDRN CC(C)N(C)C[C@H](C)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000810245243 1041355057 /nfs/dbraw/zinc/35/50/57/1041355057.db2.gz WDWHWFBJTVOUHQ-QWRGUYRKSA-N 0 0 319.276 4.078 20 10 DICDRN CC(C)(C)c1cc(CNCc2ccon2)c(O)c(C(C)(C)C)c1 ZINC000747622558 1041423393 /nfs/dbraw/zinc/42/33/93/1041423393.db2.gz QFIJPBWRLUZQAZ-UHFFFAOYSA-N 0 0 316.445 4.265 20 10 DICDRN COCCCOc1ccccc1NCc1c(O)cccc1Cl ZINC000122526891 1041439055 /nfs/dbraw/zinc/43/90/55/1041439055.db2.gz QPQPAEVYSMDJNN-UHFFFAOYSA-N 0 0 321.804 4.073 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)C(C2CC2)C2CC2)cc1 ZINC000747665483 1041468674 /nfs/dbraw/zinc/46/86/74/1041468674.db2.gz IIWCVGVABHAXDD-UHFFFAOYSA-N 0 0 322.452 4.355 20 10 DICDRN CCN(Cc1noc(C2CCCCC2)n1)c1ccc(OC)cc1 ZINC000747683181 1041489287 /nfs/dbraw/zinc/48/92/87/1041489287.db2.gz SUFQGNLNEDPGCK-UHFFFAOYSA-N 0 0 315.417 4.152 20 10 DICDRN COc1cccc(CN2C[C@H](C)CSc3ccccc32)c1O ZINC000811509192 1041533183 /nfs/dbraw/zinc/53/31/83/1041533183.db2.gz LTYQGSUQOQPHIP-ZDUSSCGKSA-N 0 0 315.438 4.149 20 10 DICDRN COc1cccc(CN2CCCSc3cc(C)ccc32)c1O ZINC000811509093 1041535220 /nfs/dbraw/zinc/53/52/20/1041535220.db2.gz NYHIXUWEYNSXQU-UHFFFAOYSA-N 0 0 315.438 4.212 20 10 DICDRN Cc1ccc(-c2nnc(NCc3cc(C)c(C)cc3O)o2)c(C)c1 ZINC000811839029 1041572931 /nfs/dbraw/zinc/57/29/31/1041572931.db2.gz JTEMIEBDPNMXMX-UHFFFAOYSA-N 0 0 323.396 4.288 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC000830141177 1041583903 /nfs/dbraw/zinc/58/39/03/1041583903.db2.gz NZLMMXYLZUZSEY-OAHLLOKOSA-N 0 0 301.430 4.101 20 10 DICDRN C[C@@H](CSc1ncc(-c2ccccc2)n1C)C(F)(F)F ZINC000747769992 1041598417 /nfs/dbraw/zinc/59/84/17/1041598417.db2.gz QCDBEJKPBPVZLZ-JTQLQIEISA-N 0 0 300.349 4.378 20 10 DICDRN Cc1ccc([C@H](C)[NH2+]Cc2coc(-c3cccs3)n2)c(O)c1 ZINC000185145816 1041607801 /nfs/dbraw/zinc/60/78/01/1041607801.db2.gz SKXISOLVQYOODU-LBPRGKRZSA-N 0 0 314.410 4.268 20 10 DICDRN CCOc1ccc(OC)cc1N[C@H](C)c1cc(F)ccc1O ZINC000186443878 1041631180 /nfs/dbraw/zinc/63/11/80/1041631180.db2.gz BSXJIHRABYDXSU-LLVKDONJSA-N 0 0 305.349 4.112 20 10 DICDRN CCOc1ccc(OC)cc1N[C@@H](C)c1cc(F)ccc1O ZINC000186443862 1041631344 /nfs/dbraw/zinc/63/13/44/1041631344.db2.gz BSXJIHRABYDXSU-NSHDSACASA-N 0 0 305.349 4.112 20 10 DICDRN CO[C@@](C)(C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-])C1CC1 ZINC000812734874 1041642831 /nfs/dbraw/zinc/64/28/31/1041642831.db2.gz UESXYXWVRQLCQM-PSLIRLAXSA-N 0 0 318.244 4.165 20 10 DICDRN Cc1ccccc1C1(C(=O)N(C)Cc2ccccc2O)CCCC1 ZINC000813481614 1041712997 /nfs/dbraw/zinc/71/29/97/1041712997.db2.gz XMMAYJRFLJCFNX-UHFFFAOYSA-N 0 0 323.436 4.171 20 10 DICDRN CC[C@H]([NH2+]CC(C)(C)COC)c1cc(Cl)cc(Cl)c1[O-] ZINC000813883070 1041742567 /nfs/dbraw/zinc/74/25/67/1041742567.db2.gz PXPKKNXRISPRTO-ZDUSSCGKSA-N 0 0 320.260 4.412 20 10 DICDRN COCC(C)(C)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000813883026 1041742713 /nfs/dbraw/zinc/74/27/13/1041742713.db2.gz PHDGGAICLVWMQV-SECBINFHSA-N 0 0 306.233 4.022 20 10 DICDRN CSC1(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000193832299 1041776823 /nfs/dbraw/zinc/77/68/23/1041776823.db2.gz ICIUYNILPRXPMU-MRVPVSSYSA-N 0 0 306.258 4.245 20 10 DICDRN Cc1ccc(/C=C2\SC(=S)N(C3CCC3)C2=O)c(C)c1 ZINC000814186054 1041788280 /nfs/dbraw/zinc/78/82/80/1041788280.db2.gz VEMOVLLBTMVZRY-ZROIWOOFSA-N 0 0 303.452 4.057 20 10 DICDRN CC(C)n1ccc(-n2c(N)c(/N=N/c3ccccc3)ccc2=N)c1 ZINC001203160596 1041795837 /nfs/dbraw/zinc/79/58/37/1041795837.db2.gz ZOAIXRKEISFDAO-VBGCDCBSSA-N 0 0 320.400 4.337 20 10 DICDRN CO[C@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])C(C)C ZINC000756624959 1041809501 /nfs/dbraw/zinc/80/95/01/1041809501.db2.gz IAEIKPAETFQQJN-JOYOIKCWSA-N 0 0 306.233 4.021 20 10 DICDRN CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756644186 1041829918 /nfs/dbraw/zinc/82/99/18/1041829918.db2.gz ZDPWNBPRLXHKFK-WKPIXPDZSA-N 0 0 315.429 4.385 20 10 DICDRN CC(C)(C)C(C)(C)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000814641436 1041846698 /nfs/dbraw/zinc/84/66/98/1041846698.db2.gz COXNPUPRVOAZGH-UHFFFAOYSA-N 0 0 316.489 4.365 20 10 DICDRN CCCC(=CC(=O)NCc1ccc(N(C)C)cc1C)CCC ZINC001126079763 1041930145 /nfs/dbraw/zinc/93/01/45/1041930145.db2.gz HGGUNPDXFYAORX-UHFFFAOYSA-N 0 0 302.462 4.204 20 10 DICDRN CC(C)N(C)C[C@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000810245172 1041941963 /nfs/dbraw/zinc/94/19/63/1041941963.db2.gz UCRQHWZRVNREMP-WDEREUQCSA-N 0 0 319.276 4.078 20 10 DICDRN C[C@H]([NH2+]CC1CCSCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815579453 1041966265 /nfs/dbraw/zinc/96/62/65/1041966265.db2.gz NFFVPNHZNJOPLT-JTQLQIEISA-N 0 0 319.392 4.205 20 10 DICDRN Cc1ncc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])s1 ZINC000815575860 1041966454 /nfs/dbraw/zinc/96/64/54/1041966454.db2.gz CPICROATFUBMAP-MRVPVSSYSA-N 0 0 316.348 4.027 20 10 DICDRN C[C@H](Cc1ccncc1)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815586733 1041968375 /nfs/dbraw/zinc/96/83/75/1041968375.db2.gz PKVVQRPCULWBQC-VXGBXAGGSA-N 0 0 324.346 4.088 20 10 DICDRN C[C@@H]([NH2+]CCC(F)(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000815587375 1041968536 /nfs/dbraw/zinc/96/85/36/1041968536.db2.gz IHHNMJDTODYIQE-SSDOTTSWSA-N 0 0 301.230 4.014 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815598380 1041970244 /nfs/dbraw/zinc/97/02/44/1041970244.db2.gz UCFPELNKAHUBPE-GHMZBOCLSA-N 0 0 317.351 4.019 20 10 DICDRN Cc1c(N[C@@H](C)c2c(C)cc(C)cc2O)cnn1CC(C)C ZINC000815609985 1041972945 /nfs/dbraw/zinc/97/29/45/1041972945.db2.gz YMMBNRGWCUXWKH-AWEZNQCLSA-N 0 0 301.434 4.343 20 10 DICDRN CO[C@@H]1Cc2ccc(N[C@H](C)c3c(C)cc(C)cc3O)cc2C1 ZINC000815616541 1041975473 /nfs/dbraw/zinc/97/54/73/1041975473.db2.gz QNPIUOUGUCXBPV-RDTXWAMCSA-N 0 0 311.425 4.296 20 10 DICDRN Cc1cc(C)c([C@H](C)Nc2ccc3ccc(=O)n(C)c3c2)c(O)c1 ZINC000815621339 1041976417 /nfs/dbraw/zinc/97/64/17/1041976417.db2.gz ROPNVXDMHYFJSB-AWEZNQCLSA-N 0 0 322.408 4.034 20 10 DICDRN C[C@@H](N[C@@H](C)c1cccc(C(F)(F)F)c1O)C(F)(F)F ZINC000815626498 1041977178 /nfs/dbraw/zinc/97/71/78/1041977178.db2.gz FTQWCPKIJOFTQQ-NKWVEPMBSA-N 0 0 301.230 4.012 20 10 DICDRN CC(F)(F)CN[C@H](CCc1ccccc1)c1ccccc1O ZINC000815644544 1041983212 /nfs/dbraw/zinc/98/32/12/1041983212.db2.gz FHZXOFGNKYJTNG-MRXNPFEDSA-N 0 0 305.368 4.311 20 10 DICDRN CC(C)c1cccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001135506255 1042038693 /nfs/dbraw/zinc/03/86/93/1042038693.db2.gz WDOBWLZTBKAAOW-UHFFFAOYSA-N 0 0 310.357 4.225 20 10 DICDRN CN(c1ccc(CNC(=O)CC2(C)CC2)cc1)C1CCCCC1 ZINC001625905619 1042053616 /nfs/dbraw/zinc/05/36/16/1042053616.db2.gz WEHYTCOHXUZQSC-UHFFFAOYSA-N 0 0 314.473 4.262 20 10 DICDRN CC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccccc1OC ZINC000816534532 1042063194 /nfs/dbraw/zinc/06/31/94/1042063194.db2.gz LYYDNVKZVDXMHR-OAHLLOKOSA-N 0 0 323.795 4.434 20 10 DICDRN C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816546803 1042063348 /nfs/dbraw/zinc/06/33/48/1042063348.db2.gz WSAJZMCJLLNANV-DYZYQPBXSA-N 0 0 305.780 4.208 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1cc2ccccc2o1 ZINC000816535621 1042063757 /nfs/dbraw/zinc/06/37/57/1042063757.db2.gz UWHRIAABVSFYLR-UHFFFAOYSA-N 0 0 305.736 4.221 20 10 DICDRN Cc1cccc2c1OCC[C@H]2[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816544198 1042063883 /nfs/dbraw/zinc/06/38/83/1042063883.db2.gz ACDUKSVGJLUKRZ-OAHLLOKOSA-N 0 0 321.779 4.107 20 10 DICDRN Oc1cc(F)c(Cl)cc1CNc1cccc2cccnc21 ZINC000816536918 1042063898 /nfs/dbraw/zinc/06/38/98/1042063898.db2.gz NQZRFPMCXKSONB-UHFFFAOYSA-N 0 0 302.736 4.345 20 10 DICDRN COC(=O)Nc1ccc(NCc2ccc3ccccc3c2O)cc1 ZINC000816523106 1042064683 /nfs/dbraw/zinc/06/46/83/1042064683.db2.gz CSSQIGIKRSMLCT-UHFFFAOYSA-N 0 0 322.364 4.336 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000816547631 1042064846 /nfs/dbraw/zinc/06/48/46/1042064846.db2.gz CCOVIHPNBXCRIJ-HNNXBMFYSA-N 0 0 309.743 4.101 20 10 DICDRN CC(=O)Nc1cc(NCc2ccc3ccccc3c2O)ccc1C ZINC000816523928 1042064869 /nfs/dbraw/zinc/06/48/69/1042064869.db2.gz JUFRQWRZDAUEQX-UHFFFAOYSA-N 0 0 320.392 4.424 20 10 DICDRN C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816548060 1042064908 /nfs/dbraw/zinc/06/49/08/1042064908.db2.gz SIOKVSUYMMQTAN-LLVKDONJSA-N 0 0 323.795 4.001 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000816547632 1042064926 /nfs/dbraw/zinc/06/49/26/1042064926.db2.gz CCOVIHPNBXCRIJ-OAHLLOKOSA-N 0 0 309.743 4.101 20 10 DICDRN CCC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccccn1 ZINC000816548215 1042065014 /nfs/dbraw/zinc/06/50/14/1042065014.db2.gz ZXDHUCGNYABKBT-CQSZACIVSA-N 0 0 308.784 4.211 20 10 DICDRN Oc1cc(F)c(Cl)cc1CNc1cccc(OC(F)F)c1 ZINC000816522884 1042065215 /nfs/dbraw/zinc/06/52/15/1042065215.db2.gz SSKJYIWPRGWZHZ-UHFFFAOYSA-N 0 0 317.694 4.398 20 10 DICDRN Oc1c(CNc2ccc(-n3cccn3)cc2)ccc2ccccc21 ZINC000816522709 1042065349 /nfs/dbraw/zinc/06/53/49/1042065349.db2.gz KTLPXTHHYKKRDU-UHFFFAOYSA-N 0 0 315.376 4.343 20 10 DICDRN CCC(=O)Nc1ccc(NCc2cc(Cl)c(F)cc2O)cc1 ZINC000816524660 1042065697 /nfs/dbraw/zinc/06/56/97/1042065697.db2.gz NLPNCFGQFLZBIS-UHFFFAOYSA-N 0 0 322.767 4.145 20 10 DICDRN COc1c(F)cc(F)cc1NCc1cc(Cl)c(F)cc1O ZINC000816526802 1042066089 /nfs/dbraw/zinc/06/60/89/1042066089.db2.gz PGLIMWXGQKAQDY-UHFFFAOYSA-N 0 0 317.694 4.084 20 10 DICDRN CC(=O)Nc1cc(NCc2ccc3ccccc3c2O)ccc1F ZINC000816524300 1042066217 /nfs/dbraw/zinc/06/62/17/1042066217.db2.gz ZJJCWJOVHMQBRT-UHFFFAOYSA-N 0 0 324.355 4.255 20 10 DICDRN Oc1c(CNc2ccc(N3CCCC3)nc2)ccc2ccccc21 ZINC000816557965 1042067214 /nfs/dbraw/zinc/06/72/14/1042067214.db2.gz IDJKMROEIVUKKB-UHFFFAOYSA-N 0 0 319.408 4.153 20 10 DICDRN CCO[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccccc1 ZINC000816593073 1042067593 /nfs/dbraw/zinc/06/75/93/1042067593.db2.gz DDWZFANORJXHQA-QGZVFWFLSA-N 0 0 323.795 4.052 20 10 DICDRN CC1(C)CN(Cc2c(O)cccc2Cl)[C@@H]1c1ccncc1 ZINC000816620839 1042074694 /nfs/dbraw/zinc/07/46/94/1042074694.db2.gz NQECWCIBRHAOGA-MRXNPFEDSA-N 0 0 302.805 4.024 20 10 DICDRN CC(C)C1([NH2+]Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000816644167 1042074920 /nfs/dbraw/zinc/07/49/20/1042074920.db2.gz FIPACQHWEZCGQA-UHFFFAOYSA-N 0 0 311.425 4.249 20 10 DICDRN COc1cccc(C(F)(F)F)c1Nc1ccc2c(c1)CCN2 ZINC001159522907 1042080495 /nfs/dbraw/zinc/08/04/95/1042080495.db2.gz PFBFONWEUVCCHK-UHFFFAOYSA-N 0 0 308.303 4.426 20 10 DICDRN CN(C)c1ccc(CN(C)C(=O)/C=C\C2CCCCCC2)cc1 ZINC001135690639 1042080957 /nfs/dbraw/zinc/08/09/57/1042080957.db2.gz XJXYNHHHTCLDNF-QINSGFPZSA-N 0 0 314.473 4.238 20 10 DICDRN Oc1cccc(Br)c1Nc1ccc2c(c1)CCCN2 ZINC001159548978 1042085021 /nfs/dbraw/zinc/08/50/21/1042085021.db2.gz TXTHPCDVYREHQJ-UHFFFAOYSA-N 0 0 319.202 4.256 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2C[C@@]2(C)C(C)C)cc1 ZINC001135732852 1042087214 /nfs/dbraw/zinc/08/72/14/1042087214.db2.gz ITFUBPIAWUQINU-QUCCMNQESA-N 0 0 316.489 4.173 20 10 DICDRN Cc1ccnc(COc2ccc(N3CCCCC3)c(Cl)c2)n1 ZINC000817382235 1042104488 /nfs/dbraw/zinc/10/44/88/1042104488.db2.gz RUWQJROTOJFBEX-UHFFFAOYSA-N 0 0 317.820 4.008 20 10 DICDRN C[C@H](Nc1ccc(OCC(F)F)cc1)c1cc(F)ccc1O ZINC000756838580 1042114690 /nfs/dbraw/zinc/11/46/90/1042114690.db2.gz NQFKIECKSMOIGY-JTQLQIEISA-N 0 0 311.303 4.348 20 10 DICDRN CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])CCO1 ZINC000817586253 1042118855 /nfs/dbraw/zinc/11/88/55/1042118855.db2.gz MZCLAPIZFTVJAU-HBNTYKKESA-N 0 0 318.244 4.307 20 10 DICDRN Cc1nc(C2CC2)oc1C(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000817760751 1042125123 /nfs/dbraw/zinc/12/51/23/1042125123.db2.gz HCXHZIBIHOKIQD-UHFFFAOYSA-N 0 0 324.380 4.188 20 10 DICDRN CC(C)CCn1ccc(N[C@@H](C)c2cc(F)cc(F)c2O)n1 ZINC000756851812 1042127172 /nfs/dbraw/zinc/12/71/72/1042127172.db2.gz VNTPJEMOQUCVCK-NSHDSACASA-N 0 0 309.360 4.086 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2)c1ccc(F)cc1[O-] ZINC000817977897 1042135201 /nfs/dbraw/zinc/13/52/01/1042135201.db2.gz RFSBDMQMSICWDY-QGZVFWFLSA-N 0 0 314.404 4.130 20 10 DICDRN Cc1cc(N)cc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])c1 ZINC000817980392 1042135986 /nfs/dbraw/zinc/13/59/86/1042135986.db2.gz LBXPBMJWOIHGDP-LLVKDONJSA-N 0 0 324.346 4.152 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H](C)SC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806148806 1042142596 /nfs/dbraw/zinc/14/25/96/1042142596.db2.gz KSYPPXBXRCNVQC-PRHODGIISA-N 0 0 308.274 4.491 20 10 DICDRN CC1(C)Cc2ccccc2N(Cc2c[nH]nc2-c2cccnc2)C1 ZINC000644838859 1042150267 /nfs/dbraw/zinc/15/02/67/1042150267.db2.gz XPERUHFTLUWKDH-UHFFFAOYSA-N 0 0 318.424 4.061 20 10 DICDRN C[C@H]([NH2+][C@H]1CC12CC2)c1cc(Br)cc(Cl)c1[O-] ZINC000818357231 1042150579 /nfs/dbraw/zinc/15/05/79/1042150579.db2.gz XDGLNCOKBZGMKB-CPCISQLKSA-N 0 0 316.626 4.011 20 10 DICDRN C[C@H]([NH2+][C@@H]1CC12CC2)c1cc(Br)cc(Cl)c1[O-] ZINC000818357234 1042150766 /nfs/dbraw/zinc/15/07/66/1042150766.db2.gz XDGLNCOKBZGMKB-WRWORJQWSA-N 0 0 316.626 4.011 20 10 DICDRN C[C@@](O)(CNc1ccc(Nc2ccccc2)cc1)C(F)(F)F ZINC000819395245 1042179913 /nfs/dbraw/zinc/17/99/13/1042179913.db2.gz HVELJWXESFXCAV-OAHLLOKOSA-N 0 0 310.319 4.155 20 10 DICDRN O=C(/C=C\c1ccc(O)c(O)c1)OCc1ccc2ccccc2c1 ZINC000219222322 1042205570 /nfs/dbraw/zinc/20/55/70/1042205570.db2.gz RRWBMPNLPOZBJW-YFHOEESVSA-N 0 0 320.344 4.008 20 10 DICDRN C[N@H+](Cc1ccccc1O)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170945747 1042212447 /nfs/dbraw/zinc/21/24/47/1042212447.db2.gz XOWMPNDSZTWLIB-OAHLLOKOSA-N 0 0 301.817 4.035 20 10 DICDRN O=C(Nc1ccccc1N1CCCCCC1)C1=CC(=O)CS1 ZINC000820554074 1042221118 /nfs/dbraw/zinc/22/11/18/1042221118.db2.gz ZIJZDJLIJGGZGW-UHFFFAOYSA-N 0 0 316.426 4.086 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC(CC2CC2)C1 ZINC001167831292 1042228644 /nfs/dbraw/zinc/22/86/44/1042228644.db2.gz GWHVJFMDNYJEJM-UHFFFAOYSA-N 0 0 314.454 4.028 20 10 DICDRN CCOc1ccc(N[C@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000317609831 1042233962 /nfs/dbraw/zinc/23/39/62/1042233962.db2.gz USSSJGSJODBPGS-CYBMUJFWSA-N 0 0 302.393 4.464 20 10 DICDRN CCCCC[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000236821019 1042246645 /nfs/dbraw/zinc/24/66/45/1042246645.db2.gz FLUQNZKTIMGHDJ-LJQANCHMSA-N 0 0 310.441 4.249 20 10 DICDRN CC[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)c1ccc(F)cc1[O-] ZINC000796985776 1042256347 /nfs/dbraw/zinc/25/63/47/1042256347.db2.gz SIPAVGHWGYVSLI-SMDDNHRTSA-N 0 0 301.352 4.398 20 10 DICDRN COc1cccc(CNc2cc(C(C)C)nc(C(C)C)n2)c1O ZINC000090089523 1042274501 /nfs/dbraw/zinc/27/45/01/1042274501.db2.gz ZWZYXFYHOHHRET-UHFFFAOYSA-N 0 0 315.417 4.050 20 10 DICDRN COc1cc(OC)c(N[C@@H]2CCc3cccc(O)c32)cc1Cl ZINC000319963429 1042299714 /nfs/dbraw/zinc/29/97/14/1042299714.db2.gz CXKNIHVIEIROTQ-GFCCVEGCSA-N 0 0 319.788 4.162 20 10 DICDRN COc1cccc(C(=O)Nc2cccc(N3CCCCC3)c2)c1C ZINC000823322439 1042320867 /nfs/dbraw/zinc/32/08/67/1042320867.db2.gz UAVRPWRYROTBFN-UHFFFAOYSA-N 0 0 324.424 4.246 20 10 DICDRN CCC[C@H](C)CC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC001136729975 1042330653 /nfs/dbraw/zinc/33/06/53/1042330653.db2.gz XIABVQHMAYCTJE-AWEZNQCLSA-N 0 0 308.441 4.114 20 10 DICDRN CN(C)c1ccc(CN[C@H](c2nccs2)c2ccccc2)cc1 ZINC000237132050 1042375011 /nfs/dbraw/zinc/37/50/11/1042375011.db2.gz DFAPCHHWNQEZPY-SFHVURJKSA-N 0 0 323.465 4.088 20 10 DICDRN C[C@H]([NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C)c1ccc(F)cc1[O-] ZINC000248520547 1042441972 /nfs/dbraw/zinc/44/19/72/1042441972.db2.gz QZZZHHLJBIEBKQ-GDZNZVCISA-N 0 0 309.425 4.023 20 10 DICDRN CCN(C)c1ccc([C@@H](C)Nc2cnn([C@H](C)C3CC3)c2)cc1 ZINC000249784861 1042458107 /nfs/dbraw/zinc/45/81/07/1042458107.db2.gz DHKYLHIBLMIHLI-HUUCEWRRSA-N 0 0 312.461 4.483 20 10 DICDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@H](C)C2CCCCC2)c1 ZINC000728978778 1042500607 /nfs/dbraw/zinc/50/06/07/1042500607.db2.gz NIANHRGOCIKTSD-UONOGXRCSA-N 0 0 319.445 4.185 20 10 DICDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C(C)C)cc2)c1 ZINC000728984702 1042501245 /nfs/dbraw/zinc/50/12/45/1042501245.db2.gz RYFLGQZATOOBSB-ZDUSSCGKSA-N 0 0 313.397 4.015 20 10 DICDRN CCC/C=C\C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000729346556 1042522100 /nfs/dbraw/zinc/52/21/00/1042522100.db2.gz ZRIUNQLDOHMYAR-WDZFZDKYSA-N 0 0 314.473 4.428 20 10 DICDRN CCC/C=C/C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000729346555 1042522249 /nfs/dbraw/zinc/52/22/49/1042522249.db2.gz ZRIUNQLDOHMYAR-IZZDOVSWSA-N 0 0 314.473 4.428 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H](C)c1ncc(C)s1)c1ccc(C)cc1O ZINC000280018514 1042562821 /nfs/dbraw/zinc/56/28/21/1042562821.db2.gz HFCDIHJSENMGGY-IUODEOHRSA-N 0 0 304.459 4.310 20 10 DICDRN CC[C@@H]([NH2+]C[C@H](C)c1nc(C)cs1)c1ccc(C)cc1O ZINC000280095436 1042563726 /nfs/dbraw/zinc/56/37/26/1042563726.db2.gz MSGKIRSWJFWWDB-SWLSCSKDSA-N 0 0 304.459 4.310 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccc(OC(C)C)nc1)c1ccc(C)cc1O ZINC000280093943 1042563887 /nfs/dbraw/zinc/56/38/87/1042563887.db2.gz MQWNKEAAJXAKHU-QGZVFWFLSA-N 0 0 314.429 4.124 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000271826511 1042669318 /nfs/dbraw/zinc/66/93/18/1042669318.db2.gz NYWDYYCRVUEGLJ-AWEZNQCLSA-N 0 0 309.837 4.017 20 10 DICDRN CCC[C@H](CC(C)C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001269587496 1042724640 /nfs/dbraw/zinc/72/46/40/1042724640.db2.gz ICCNYKSLEAUPLE-DOTOQJQBSA-N 0 0 304.478 4.392 20 10 DICDRN CCC[C@@H]1CCC[C@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001269587109 1042724691 /nfs/dbraw/zinc/72/46/91/1042724691.db2.gz BRDAINBNCAHIMT-YXJHDRRASA-N 0 0 302.462 4.146 20 10 DICDRN CC(C)[C@H]1CC[C@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC001269588662 1042724740 /nfs/dbraw/zinc/72/47/40/1042724740.db2.gz TXTZVKSLBNYQEA-BQFCYCMXSA-N 0 0 316.489 4.392 20 10 DICDRN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC001269588664 1042724906 /nfs/dbraw/zinc/72/49/06/1042724906.db2.gz TXTZVKSLBNYQEA-JFIYKMOQSA-N 0 0 316.489 4.392 20 10 DICDRN CC[C@@H](Nc1cccc(NC(C)=O)c1)c1ccc(F)cc1O ZINC000796856727 1042742912 /nfs/dbraw/zinc/74/29/12/1042742912.db2.gz SWPDRSHRYAHDRQ-MRXNPFEDSA-N 0 0 302.349 4.053 20 10 DICDRN CCN(C(=O)/C=C/c1ccc(C)nc1)c1ccc(Cl)c(F)c1 ZINC001270362555 1042902178 /nfs/dbraw/zinc/90/21/78/1042902178.db2.gz QBWIQIDPBPWKAB-RMKNXTFCSA-N 0 0 318.779 4.249 20 10 DICDRN COc1ccc(C)cc1NCc1cccc(Br)c1O ZINC000048794777 1042975603 /nfs/dbraw/zinc/97/56/03/1042975603.db2.gz IJYGIHNJMPMSEU-UHFFFAOYSA-N 0 0 322.202 4.084 20 10 DICDRN CCOc1ccc(N(CC)Cc2cc(O)ccc2Cl)cc1 ZINC001167984635 1042982528 /nfs/dbraw/zinc/98/25/28/1042982528.db2.gz UYOCAFUVWDPKLJ-UHFFFAOYSA-N 0 0 305.805 4.471 20 10 DICDRN COc1ccc(CNc2ccc(C)cc2SC)c(O)c1OC ZINC000894895366 1043015075 /nfs/dbraw/zinc/01/50/75/1043015075.db2.gz BMAKHWHGCXVLEU-UHFFFAOYSA-N 0 0 319.426 4.052 20 10 DICDRN CC(=O)c1cc(F)cc(CN(C)c2ccc(C)c(Cl)c2)c1O ZINC001167990307 1043046577 /nfs/dbraw/zinc/04/65/77/1043046577.db2.gz QFRGSFFMVDZVLL-UHFFFAOYSA-N 0 0 321.779 4.332 20 10 DICDRN CC[C@@H](Nc1cccc2c1CCN2C(C)=O)c1ccc(C)cc1O ZINC000794812764 1043059537 /nfs/dbraw/zinc/05/95/37/1043059537.db2.gz FUJXGYDZICCJLT-QGZVFWFLSA-N 0 0 324.424 4.173 20 10 DICDRN Cc1c(N[C@@H](C)c2ccc(N(C)C)cc2)cnn1CC(C)C ZINC000777302043 1043093906 /nfs/dbraw/zinc/09/39/06/1043093906.db2.gz JMAHZTQUJIHREY-AWEZNQCLSA-N 0 0 300.450 4.087 20 10 DICDRN Cc1cc(CN(Cc2ccccc2O)[C@H](C)c2ccccc2)no1 ZINC000176686653 1043098883 /nfs/dbraw/zinc/09/88/83/1043098883.db2.gz UCBBEQQWGOITEK-MRXNPFEDSA-N 0 0 322.408 4.452 20 10 DICDRN C[C@H](Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccccc1O ZINC000183660204 1043169088 /nfs/dbraw/zinc/16/90/88/1043169088.db2.gz BBZILPSJJQHPQS-YOEHRIQHSA-N 0 0 313.397 4.123 20 10 DICDRN COCCCCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185233359 1043196168 /nfs/dbraw/zinc/19/61/68/1043196168.db2.gz BFMRTNWHIKSMHH-JTQLQIEISA-N 0 0 306.233 4.166 20 10 DICDRN CC(C)c1nc(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])cs1 ZINC000185310205 1043198832 /nfs/dbraw/zinc/19/88/32/1043198832.db2.gz IWEJRJLDHNGGFH-LLVKDONJSA-N 0 0 308.422 4.005 20 10 DICDRN Cc1cccnc1[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])C(C)C ZINC000185457751 1043201362 /nfs/dbraw/zinc/20/13/62/1043201362.db2.gz DBOSYQWHTASWPQ-GUYCJALGSA-N 0 0 302.393 4.283 20 10 DICDRN C[C@@H]([NH2+]C1CCC(OC(C)(C)C)CC1)c1ccc(F)cc1[O-] ZINC000866450849 1043202785 /nfs/dbraw/zinc/20/27/85/1043202785.db2.gz LOYVRACARDJIGH-LRVUVFPRSA-N 0 0 309.425 4.308 20 10 DICDRN CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])c1cccnc1 ZINC000185660959 1043206241 /nfs/dbraw/zinc/20/62/41/1043206241.db2.gz PGSMVPMOUARHQT-SUMWQHHRSA-N 0 0 302.393 4.017 20 10 DICDRN Cc1ccc(O)c([C@H](C)N[C@H](C)c2noc(-c3ccccc3)n2)c1 ZINC000185766750 1043207141 /nfs/dbraw/zinc/20/71/41/1043207141.db2.gz GGOONEFCLKRLKQ-UONOGXRCSA-N 0 0 323.396 4.162 20 10 DICDRN CN(C)c1ccc(CN2CCC(F)(F)CC2)c(C(F)(F)F)c1 ZINC000793363051 1043211790 /nfs/dbraw/zinc/21/17/90/1043211790.db2.gz ZMNRZBQCPHIDNG-UHFFFAOYSA-N 0 0 322.321 4.003 20 10 DICDRN CC[C@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1cccc(Cl)c1[O-] ZINC000866532022 1043219242 /nfs/dbraw/zinc/21/92/42/1043219242.db2.gz UQHZWBRHADBMFK-BBRMVZONSA-N 0 0 323.864 4.293 20 10 DICDRN COc1ccc(O)c([C@@H](C)Nc2ccc(COC(C)C)cc2)c1 ZINC000186289218 1043219460 /nfs/dbraw/zinc/21/94/60/1043219460.db2.gz BBPNMEQPIRTQGZ-CQSZACIVSA-N 0 0 315.413 4.499 20 10 DICDRN C[C@@H]([NH2+][C@H]1CCCOc2c(F)cccc21)c1ccc(F)cc1[O-] ZINC000186506643 1043225531 /nfs/dbraw/zinc/22/55/31/1043225531.db2.gz AJMBCKPXJPZLSU-BZNIZROVSA-N 0 0 319.351 4.235 20 10 DICDRN Cc1cccnc1[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1[O-])C(C)C ZINC000187721384 1043248932 /nfs/dbraw/zinc/24/89/32/1043248932.db2.gz RKGYWHNVHHVSLJ-MLGOLLRUSA-N 0 0 320.383 4.422 20 10 DICDRN CN(Cc1cc(F)c(F)c(F)c1)Cc1c(O)cccc1Cl ZINC000777444126 1043254747 /nfs/dbraw/zinc/25/47/47/1043254747.db2.gz XHTZBSDFOYKGDU-UHFFFAOYSA-N 0 0 315.722 4.095 20 10 DICDRN COc1ccc(N(C)Cc2coc(-c3ccccc3)n2)cc1F ZINC000121832069 1043261830 /nfs/dbraw/zinc/26/18/30/1043261830.db2.gz DVORBQPFNSFTFD-UHFFFAOYSA-N 0 0 312.344 4.126 20 10 DICDRN CCCOc1cccc(NCc2cccc(OCC)c2O)c1 ZINC000121861516 1043263878 /nfs/dbraw/zinc/26/38/78/1043263878.db2.gz RREZSDGNSBKFFO-UHFFFAOYSA-N 0 0 301.386 4.192 20 10 DICDRN COc1ccc(N(C)Cc2coc(-c3cccs3)n2)cc1F ZINC000121841907 1043264061 /nfs/dbraw/zinc/26/40/61/1043264061.db2.gz DUHXKQSKPALZBD-UHFFFAOYSA-N 0 0 318.373 4.187 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192963083 1043277130 /nfs/dbraw/zinc/27/71/30/1043277130.db2.gz XSSMHZAJXWNVAC-VHSXEESVSA-N 0 0 318.244 4.165 20 10 DICDRN COc1ccc(O)c([C@H](C)Nc2cnn(C3CCCC3)c2C)c1 ZINC000193389629 1043284062 /nfs/dbraw/zinc/28/40/62/1043284062.db2.gz ZLFWJZTVDULRMK-LBPRGKRZSA-N 0 0 315.417 4.194 20 10 DICDRN COc1ccc(O)c([C@H](C)Nc2nc3cccc(C)c3s2)c1 ZINC000795087947 1043322040 /nfs/dbraw/zinc/32/20/40/1043322040.db2.gz XOQCKEXBFYUHIN-NSHDSACASA-N 0 0 314.410 4.492 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H]1CC=CCC1 ZINC001626987146 1043345849 /nfs/dbraw/zinc/34/58/49/1043345849.db2.gz YXJIQJAVWMBURB-OAHLLOKOSA-N 0 0 314.454 4.242 20 10 DICDRN Cc1cccc2nc(N[C@H](C)Cc3ccc(O)c(O)c3)sc21 ZINC000795125682 1043351163 /nfs/dbraw/zinc/35/11/63/1043351163.db2.gz LMJNCVDLADMNSW-LLVKDONJSA-N 0 0 314.410 4.059 20 10 DICDRN CC(C)[C@H](CCc1ccccc1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871204265 1043367164 /nfs/dbraw/zinc/36/71/64/1043367164.db2.gz BWSDBRPMFXLDTM-SFHVURJKSA-N 0 0 323.436 4.139 20 10 DICDRN CC(C)[C@@H](CCc1ccccc1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871204254 1043367223 /nfs/dbraw/zinc/36/72/23/1043367223.db2.gz BWSDBRPMFXLDTM-GOSISDBHSA-N 0 0 323.436 4.139 20 10 DICDRN CC(C)[C@H](CC(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000871202638 1043367402 /nfs/dbraw/zinc/36/74/02/1043367402.db2.gz JZSVDCDFLSYWTP-KRWDZBQOSA-N 0 0 309.409 4.064 20 10 DICDRN Cn1c(-c2ccccc2)cnc1SCc1cnoc1C1CC1 ZINC000269902143 1043374549 /nfs/dbraw/zinc/37/45/49/1043374549.db2.gz GVRQJZHFBUTHGW-UHFFFAOYSA-N 0 0 311.410 4.245 20 10 DICDRN Cc1ccc(-c2noc(CNc3ccccc3NC(C)C)n2)cc1 ZINC000871847086 1043404882 /nfs/dbraw/zinc/40/48/82/1043404882.db2.gz JJGJOQFBBBITTR-UHFFFAOYSA-N 0 0 322.412 4.477 20 10 DICDRN O=C(Nc1ccc(SC(F)(F)F)cc1)C1=CC(=O)CS1 ZINC001625934099 1043405712 /nfs/dbraw/zinc/40/57/12/1043405712.db2.gz HBXAHTAIDJZEQR-UHFFFAOYSA-N 0 0 319.329 4.318 20 10 DICDRN C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)s1)c1ccc(F)cc1[O-] ZINC000872108895 1043462370 /nfs/dbraw/zinc/46/23/70/1043462370.db2.gz ZITOXSDMRSBIHM-MRVPVSSYSA-N 0 0 319.323 4.462 20 10 DICDRN Cc1cc(C(=O)N2C3CCC2CC3)c(C)n1-c1ccccc1C ZINC000872878365 1043511354 /nfs/dbraw/zinc/51/13/54/1043511354.db2.gz RJFLBWHVXSASSU-UHFFFAOYSA-N 0 0 308.425 4.170 20 10 DICDRN Cc1cc(C(=O)N2C3CCC2CC3)c(C)n1-c1ccc(F)cc1 ZINC000872874358 1043511740 /nfs/dbraw/zinc/51/17/40/1043511740.db2.gz BVDYNMDGUQQINE-UHFFFAOYSA-N 0 0 312.388 4.000 20 10 DICDRN [NH3+][C@@H]1C[C@H]1c1ccc(NCc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000873218079 1043528537 /nfs/dbraw/zinc/52/85/37/1043528537.db2.gz WEISSDQSZKPOGJ-DZGCQCFKSA-N 0 0 323.223 4.126 20 10 DICDRN C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(N)cc1 ZINC000926143917 1043535070 /nfs/dbraw/zinc/53/50/70/1043535070.db2.gz QUOSSOKGIVERSW-KBXCAEBGSA-N 0 0 309.413 4.069 20 10 DICDRN CC[C@H](NC(=O)N[C@H](C)c1ccccc1O)c1ccccc1F ZINC000875693944 1043634769 /nfs/dbraw/zinc/63/47/69/1043634769.db2.gz BBICIKMVNPLNKM-WBMJQRKESA-N 0 0 316.376 4.043 20 10 DICDRN COc1ccc(N(Cc2ccccc2)Cc2ccnc(F)c2)cc1 ZINC001168024925 1043650812 /nfs/dbraw/zinc/65/08/12/1043650812.db2.gz GTHNGRNMLZVRHY-UHFFFAOYSA-N 0 0 322.383 4.436 20 10 DICDRN COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1C ZINC000926902778 1043652680 /nfs/dbraw/zinc/65/26/80/1043652680.db2.gz LAFZHQIYQBRZKD-QWHCGFSZSA-N 0 0 303.377 4.260 20 10 DICDRN C[C@H]([NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1c([O-])cccc1F ZINC000926976163 1043666072 /nfs/dbraw/zinc/66/60/72/1043666072.db2.gz GQYBYDJZRLTESW-XTQGRXLLSA-N 0 0 321.342 4.231 20 10 DICDRN C[C@@H](Nc1cnn(-c2ccccc2Cl)c1)c1ccccc1O ZINC000783525595 1043712623 /nfs/dbraw/zinc/71/26/23/1043712623.db2.gz XZXAXEKFXZWGPQ-GFCCVEGCSA-N 0 0 313.788 4.404 20 10 DICDRN Cc1ccc(CNc2cc(NC(=O)C(C)C)ccc2C)c(O)c1 ZINC000876817974 1043712867 /nfs/dbraw/zinc/71/28/67/1043712867.db2.gz IJIXKJJUQYSSMR-UHFFFAOYSA-N 0 0 312.413 4.216 20 10 DICDRN Cc1ccc(NC(=O)C(C)C)cc1NCc1c(C)cccc1O ZINC000876817725 1043714150 /nfs/dbraw/zinc/71/41/50/1043714150.db2.gz DGOCFYKYQCWLJS-UHFFFAOYSA-N 0 0 312.413 4.216 20 10 DICDRN CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])cc1 ZINC000876939898 1043725641 /nfs/dbraw/zinc/72/56/41/1043725641.db2.gz NUIKERISAXRMFY-GFCCVEGCSA-N 0 0 321.367 4.308 20 10 DICDRN CC(C)[C@@H](Sc1ccccc1)C(=O)N(C)c1ccc(N)cc1 ZINC000877078224 1043739010 /nfs/dbraw/zinc/73/90/10/1043739010.db2.gz ILBODQLTCPMZQO-QGZVFWFLSA-N 0 0 314.454 4.049 20 10 DICDRN CCc1cc(NCc2ccc(N3CCC(O)CC3)cc2)ccc1C ZINC000877164622 1043751821 /nfs/dbraw/zinc/75/18/21/1043751821.db2.gz BPOLZBUEWZSWSR-UHFFFAOYSA-N 0 0 324.468 4.131 20 10 DICDRN CC(=O)N(c1ccc(NCc2c(C)cccc2O)cc1)[C@@H]1C[C@@H]1C ZINC000877555703 1043774694 /nfs/dbraw/zinc/77/46/94/1043774694.db2.gz ZCNNPFWFKAGQCW-IFXJQAMLSA-N 0 0 324.424 4.074 20 10 DICDRN COC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1cccc(Cl)c1 ZINC000290167682 1043925648 /nfs/dbraw/zinc/92/56/48/1043925648.db2.gz DNSFQHBBVDVOPN-ZBEGNZNMSA-N 0 0 323.795 4.223 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC001275534253 1043936196 /nfs/dbraw/zinc/93/61/96/1043936196.db2.gz MFVJGZBYCHJCAL-NEWSRXKRSA-N 0 0 308.425 4.013 20 10 DICDRN Cc1sccc1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000880401504 1044040251 /nfs/dbraw/zinc/04/02/51/1044040251.db2.gz UKLTZTRLZSFMMW-NSHDSACASA-N 0 0 303.431 4.005 20 10 DICDRN CCc1nc(C)c(C[NH2+][C@@H](CC)c2cccc(Cl)c2[O-])o1 ZINC000291921476 1044115996 /nfs/dbraw/zinc/11/59/96/1044115996.db2.gz NVRNXOPNDFZFFC-ZDUSSCGKSA-N 0 0 308.809 4.145 20 10 DICDRN O=C1/C(=C/c2ccc(Cl)s2)SC(=S)N1C1CCC1 ZINC000292256789 1044154828 /nfs/dbraw/zinc/15/48/28/1044154828.db2.gz FFGQFQUIEGLYGR-TWGQIWQCSA-N 0 0 315.872 4.155 20 10 DICDRN Oc1ccccc1CN[C@H](CCc1ccccc1)C(F)(F)F ZINC000778123258 1044159689 /nfs/dbraw/zinc/15/96/89/1044159689.db2.gz SBTHLGOIXRHRFD-MRXNPFEDSA-N 0 0 309.331 4.046 20 10 DICDRN CCc1ccccc1NC(=O)NCCCSc1nccs1 ZINC000129988598 1044188681 /nfs/dbraw/zinc/18/86/81/1044188681.db2.gz UPRFQFOJMHMBOK-UHFFFAOYSA-N 0 0 321.471 4.009 20 10 DICDRN CCn1c2cccc(F)c2nc1/C(Cl)=C/c1cncs1 ZINC000130062803 1044192346 /nfs/dbraw/zinc/19/23/46/1044192346.db2.gz FKSYLZDWHOKSGE-POHAHGRESA-N 0 0 307.781 4.389 20 10 DICDRN CC(F)(F)c1ccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC000883130983 1044223754 /nfs/dbraw/zinc/22/37/54/1044223754.db2.gz ZRCYOUXNGVBBAV-UHFFFAOYSA-N 0 0 313.294 4.072 20 10 DICDRN CC[C@H]([NH2+]C[C@H]1C[C@H](OC)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000883272692 1044257206 /nfs/dbraw/zinc/25/72/06/1044257206.db2.gz UATXLEAREBMODQ-CHIMOYNISA-N 0 0 318.244 4.165 20 10 DICDRN Oc1ccccc1CNc1ccc(OC(F)F)c2cccnc12 ZINC000187496718 1044258952 /nfs/dbraw/zinc/25/89/52/1044258952.db2.gz MLZMBTCBSJYIIO-UHFFFAOYSA-N 0 0 316.307 4.154 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc(C)nc1Cl)c1ccc(F)cc1[O-] ZINC000883301981 1044262776 /nfs/dbraw/zinc/26/27/76/1044262776.db2.gz NSANHICYUJRSCG-AWEZNQCLSA-N 0 0 308.784 4.129 20 10 DICDRN CCCNC(=O)c1cccc(N[C@H](C)c2ccc(C)cc2O)c1 ZINC000192714832 1044304177 /nfs/dbraw/zinc/30/41/77/1044304177.db2.gz NZOWCOBTHMLYCF-CQSZACIVSA-N 0 0 312.413 4.014 20 10 DICDRN CCOc1ccc(N[C@@H](C)c2cc(C)ccc2O)cc1OC ZINC000192783503 1044309610 /nfs/dbraw/zinc/30/96/10/1044309610.db2.gz HSQLVXGJGSDLPI-ZDUSSCGKSA-N 0 0 301.386 4.281 20 10 DICDRN CCOc1cc(N[C@@H](C)c2cc(C)ccc2O)ccc1OC ZINC000192819648 1044315866 /nfs/dbraw/zinc/31/58/66/1044315866.db2.gz GAWXTGDEMMTJAL-ZDUSSCGKSA-N 0 0 301.386 4.281 20 10 DICDRN CC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1nc(C)cs1 ZINC000293724238 1044319328 /nfs/dbraw/zinc/31/93/28/1044319328.db2.gz VXBAGULWPHFENT-GFCCVEGCSA-N 0 0 314.813 4.191 20 10 DICDRN C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000840859088 1044394543 /nfs/dbraw/zinc/39/45/43/1044394543.db2.gz HBNFACNWVBQLQO-VGMNWLOBSA-N 0 0 306.258 4.244 20 10 DICDRN Cc1ccc([C@@H](C)Nc2cccc(NC(=O)C3CC3)c2)c(O)c1 ZINC000192906728 1044400467 /nfs/dbraw/zinc/40/04/67/1044400467.db2.gz FXSRADXIGZSDQO-CYBMUJFWSA-N 0 0 310.397 4.222 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)Nc1cccc(C)c1C ZINC000118787014 1044485705 /nfs/dbraw/zinc/48/57/05/1044485705.db2.gz KIAJFVPGBRUETQ-UHFFFAOYSA-N 0 0 312.413 4.453 20 10 DICDRN C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)c1cccc(Cl)c1 ZINC000759598778 1044521086 /nfs/dbraw/zinc/52/10/86/1044521086.db2.gz YIGBTRBBRQJRQW-LXSSAFMLSA-N 0 0 318.756 4.069 20 10 DICDRN CCSCCN(Cc1ccco1)c1ccc(OC)c(F)c1 ZINC000303957043 1044522811 /nfs/dbraw/zinc/52/28/11/1044522811.db2.gz XSZHITPOTHIIDU-UHFFFAOYSA-N 0 0 309.406 4.187 20 10 DICDRN Cc1cc(N(C)C)ccc1CNCc1nc(C(C)(C)C)cs1 ZINC000840932354 1044538605 /nfs/dbraw/zinc/53/86/05/1044538605.db2.gz POIBUHHAJPXSFU-UHFFFAOYSA-N 0 0 317.502 4.105 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCCc2occc21 ZINC000021011684 1044561961 /nfs/dbraw/zinc/56/19/61/1044561961.db2.gz GHOTZNCVMKBOHS-CYBMUJFWSA-N 0 0 312.196 4.459 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCCc1ccccc1 ZINC000021035367 1044566002 /nfs/dbraw/zinc/56/60/02/1044566002.db2.gz UYRRVWHKIBWNBP-UHFFFAOYSA-N 0 0 310.224 4.421 20 10 DICDRN C[C@@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)c1ccc(F)cc1 ZINC001649171129 1044589737 /nfs/dbraw/zinc/58/97/37/1044589737.db2.gz JVOKFKCCTQYUTF-JTQLQIEISA-N 0 0 311.759 4.217 20 10 DICDRN C[C@H]([NH2+]Cc1cccc(C(F)(F)F)n1)c1ccc(N(C)C)cc1 ZINC000296535913 1044623894 /nfs/dbraw/zinc/62/38/94/1044623894.db2.gz QSWASSPBYXAASP-LBPRGKRZSA-N 0 0 323.362 4.017 20 10 DICDRN C[C@H]([NH2+][C@H]1CCSc2ccccc21)c1c([O-])cccc1F ZINC000886502650 1044648976 /nfs/dbraw/zinc/64/89/76/1044648976.db2.gz JGRNVZGLFWCYMF-FZMZJTMJSA-N 0 0 303.402 4.419 20 10 DICDRN CCCOCc1ccccc1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886506163 1044651201 /nfs/dbraw/zinc/65/12/01/1044651201.db2.gz FEQAKPMHSUKKCG-AWEZNQCLSA-N 0 0 317.404 4.309 20 10 DICDRN C[C@@H]([NH2+][C@H]1CCCOc2ccc(F)cc21)c1c([O-])cccc1F ZINC000886514316 1044652350 /nfs/dbraw/zinc/65/23/50/1044652350.db2.gz MUNQJOMSJKZEIE-ABAIWWIYSA-N 0 0 319.351 4.235 20 10 DICDRN CC(C)OCc1ccccc1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886513094 1044652833 /nfs/dbraw/zinc/65/28/33/1044652833.db2.gz TUTXKVDXADEZFM-CQSZACIVSA-N 0 0 317.404 4.307 20 10 DICDRN COc1cc(Cl)ccc1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886524640 1044653950 /nfs/dbraw/zinc/65/39/50/1044653950.db2.gz NYYUGPRZWGVWGE-SNVBAGLBSA-N 0 0 309.768 4.044 20 10 DICDRN C[C@H](NCc1nc(C(C)(C)C)cs1)c1c(O)cccc1F ZINC000886524297 1044655226 /nfs/dbraw/zinc/65/52/26/1044655226.db2.gz HXJRELZXGHJRBW-JTQLQIEISA-N 0 0 308.422 4.136 20 10 DICDRN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2c([O-])cccc2F)cc1[N+](=O)[O-] ZINC000886549727 1044658717 /nfs/dbraw/zinc/65/87/17/1044658717.db2.gz MRFYKMVOSPZDNL-RYUDHWBXSA-N 0 0 318.348 4.160 20 10 DICDRN CCC(=O)Nc1ccc(C)c(N[C@@H](C)c2c(O)cccc2F)c1 ZINC000886564215 1044660133 /nfs/dbraw/zinc/66/01/33/1044660133.db2.gz QDRMCHHYLVUBIH-LBPRGKRZSA-N 0 0 316.376 4.361 20 10 DICDRN C[C@@H]([NH2+]CCC1CC(OC(C)(C)C)C1)c1c([O-])cccc1F ZINC000886600974 1044668275 /nfs/dbraw/zinc/66/82/75/1044668275.db2.gz GOEZPXQKYWEYRS-IYXRBSQSSA-N 0 0 309.425 4.166 20 10 DICDRN COC[C@@H]([NH2+][C@H](C)c1c([O-])cccc1F)c1ccc(Cl)cc1 ZINC000886603729 1044668556 /nfs/dbraw/zinc/66/85/56/1044668556.db2.gz UWBPTCSEMZNHBS-IAQYHMDHSA-N 0 0 323.795 4.223 20 10 DICDRN COC[C@H]([NH2+][C@H](C)c1c([O-])cccc1F)c1cccc(Cl)c1 ZINC000886610636 1044668660 /nfs/dbraw/zinc/66/86/60/1044668660.db2.gz GKQXOTYMOFPGSW-ABAIWWIYSA-N 0 0 323.795 4.223 20 10 DICDRN COC[C@@H]([NH2+][C@H](C)c1c([O-])cccc1F)c1cccc(Cl)c1 ZINC000886610637 1044669072 /nfs/dbraw/zinc/66/90/72/1044669072.db2.gz GKQXOTYMOFPGSW-IAQYHMDHSA-N 0 0 323.795 4.223 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)c1c([O-])cccc1F ZINC000886623524 1044670354 /nfs/dbraw/zinc/67/03/54/1044670354.db2.gz GGABHNXFKVFMRW-LALPHHSUSA-N 0 0 321.417 4.164 20 10 DICDRN C[C@H]([NH2+][C@H]1CCCN(C)c2ccccc21)c1c([O-])cccc1F ZINC000886621993 1044670538 /nfs/dbraw/zinc/67/05/38/1044670538.db2.gz HSLBJONYKPPEOE-BBRMVZONSA-N 0 0 314.404 4.153 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1ccc2c(c1)CCCO2 ZINC000886639678 1044672364 /nfs/dbraw/zinc/67/23/64/1044672364.db2.gz JJGVTTXGGOUKDF-OLZOCXBDSA-N 0 0 315.388 4.268 20 10 DICDRN C[C@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1c([O-])cccc1F ZINC000886641798 1044672785 /nfs/dbraw/zinc/67/27/85/1044672785.db2.gz SBIJOHDQUSOHGK-SGTLLEGYSA-N 0 0 300.377 4.118 20 10 DICDRN C[C@@H](NC(=O)N(C)Cc1ccccc1O)c1cc2ccccc2o1 ZINC000043865735 1044719608 /nfs/dbraw/zinc/71/96/08/1044719608.db2.gz JPWKBMOKEXVESZ-CYBMUJFWSA-N 0 0 324.380 4.041 20 10 DICDRN Cc1cc(C(=O)N2CC[C@@H](C)[C@@H]2C)c(C)n1-c1ccccc1C ZINC001137244523 1044788012 /nfs/dbraw/zinc/78/80/12/1044788012.db2.gz RSMSYKVQOKDGLH-CJNGLKHVSA-N 0 0 310.441 4.273 20 10 DICDRN CC[C@H](Nc1ccccc1OCCCOC)c1ccccc1O ZINC000157688467 1044936006 /nfs/dbraw/zinc/93/60/06/1044936006.db2.gz OUCJZUZEGXKMTB-INIZCTEOSA-N 0 0 315.413 4.371 20 10 DICDRN CN(C)c1ccc(CN(C)C(=O)CCC2CCCCC2)cc1 ZINC000302054089 1044966413 /nfs/dbraw/zinc/96/64/13/1044966413.db2.gz NNZXUCZXMCIEDX-UHFFFAOYSA-N 0 0 302.462 4.072 20 10 DICDRN CCC[C@@H](CC1CCCCC1)C(=O)NCc1ccc(O)c(O)c1 ZINC000778919876 1045033540 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CCCN(Cc1ccccc1O)C(=O)C[C@@H](C)c1ccccc1 ZINC000750862074 1045563331 /nfs/dbraw/zinc/56/33/31/1045563331.db2.gz ORMSVOAMBCDXJF-MRXNPFEDSA-N 0 0 311.425 4.325 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C ZINC000750859904 1045564180 /nfs/dbraw/zinc/56/41/80/1045564180.db2.gz SWNDIYANLUYIIS-WMZOPIPTSA-N 0 0 315.457 4.369 20 10 DICDRN C[C@@H]1CO[C@H](C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC001124108460 1045595964 /nfs/dbraw/zinc/59/59/64/1045595964.db2.gz JDBKHRJWXLNEGB-GUYCJALGSA-N 0 0 309.369 4.466 20 10 DICDRN CC(C)(C)CCC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000751307918 1045598572 /nfs/dbraw/zinc/59/85/72/1045598572.db2.gz OOMGPYIYYROZJV-UHFFFAOYSA-N 0 0 322.412 4.161 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)C1CCCC1 ZINC000751310803 1045599198 /nfs/dbraw/zinc/59/91/98/1045599198.db2.gz XTKSVSNYKVYVOM-UHFFFAOYSA-N 0 0 302.443 4.170 20 10 DICDRN CN(C)c1ccc(CN(C)C(=O)C=C2CCC(C)(C)CC2)cc1 ZINC000751566821 1045615545 /nfs/dbraw/zinc/61/55/45/1045615545.db2.gz 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CCCCN(Cc1ccccc1O)C(=O)CCCC(F)(F)F ZINC000801549421 1045735553 /nfs/dbraw/zinc/73/55/53/1045735553.db2.gz NJKWPKGPAIWWLK-UHFFFAOYSA-N 0 0 317.351 4.254 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(Cl)cc1 ZINC000801548245 1045735634 /nfs/dbraw/zinc/73/56/34/1045735634.db2.gz CWDXLLMXVNVJBA-UHFFFAOYSA-N 0 0 317.816 4.488 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000801546583 1045735781 /nfs/dbraw/zinc/73/57/81/1045735781.db2.gz VRJYTGAGGNMFBN-HZPDHXFCSA-N 0 0 303.446 4.347 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(Cl)o1 ZINC000801549342 1045735830 /nfs/dbraw/zinc/73/58/30/1045735830.db2.gz KSSKXIRYKMKSMS-UHFFFAOYSA-N 0 0 307.777 4.081 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)c1ccsc1 ZINC000801548611 1045736890 /nfs/dbraw/zinc/73/68/90/1045736890.db2.gz ZSUBZUDNRVJCKM-AWEZNQCLSA-N 0 0 317.454 4.386 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCC[C@H]1C ZINC000801549957 1045737045 /nfs/dbraw/zinc/73/70/45/1045737045.db2.gz JAPCHIHOCWQWAB-CVEARBPZSA-N 0 0 303.446 4.347 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](C)c1ccsc1 ZINC000801548612 1045737207 /nfs/dbraw/zinc/73/72/07/1045737207.db2.gz ZSUBZUDNRVJCKM-CQSZACIVSA-N 0 0 317.454 4.386 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)C[C@@H]1C=CCCC1 ZINC000801552112 1045739267 /nfs/dbraw/zinc/73/92/67/1045739267.db2.gz YVHLXXUWBDWEKQ-MRXNPFEDSA-N 0 0 301.430 4.267 20 10 DICDRN CCCCCC(C)(C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000753281923 1045744263 /nfs/dbraw/zinc/74/42/63/1045744263.db2.gz JFHOLEKDMWRVRA-UHFFFAOYSA-N 0 0 304.478 4.318 20 10 DICDRN CCN(Cc1ncc(C(C)C)s1)Cc1ccc(N(C)C)cc1 ZINC000753527724 1045759822 /nfs/dbraw/zinc/75/98/22/1045759822.db2.gz SKSUBJROPACZNG-UHFFFAOYSA-N 0 0 317.502 4.355 20 10 DICDRN CC(C(=O)NCc1ccc(N2CCCCC2)cc1)=C1CCCC1 ZINC000753596946 1045772556 /nfs/dbraw/zinc/77/25/56/1045772556.db2.gz PKLLNFQNJROJLQ-UHFFFAOYSA-N 0 0 312.457 4.184 20 10 DICDRN CC[C@@H](C)[C@H](C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000780325562 1045782870 /nfs/dbraw/zinc/78/28/70/1045782870.db2.gz HKDZIDQFRHBNGY-SJORKVTESA-N 0 0 316.489 4.318 20 10 DICDRN CCc1ccc(N(CC)C(=O)/C=C\c2scnc2C)cc1 ZINC001124951642 1045816356 /nfs/dbraw/zinc/81/63/56/1045816356.db2.gz ZCRKGJQFUGTPLL-KHPPLWFESA-N 0 0 300.427 4.080 20 10 DICDRN Cc1ccc(/C=C\C(=O)N(Cc2ccco2)c2ccccc2)cn1 ZINC000754043158 1045837575 /nfs/dbraw/zinc/83/75/75/1045837575.db2.gz IBSJRSJOFGXKPY-QXMHVHEDSA-N 0 0 318.376 4.230 20 10 DICDRN CCN(C(=O)/C=C\c1ccc(C)nc1)c1ccccc1Cl ZINC000754088685 1045845395 /nfs/dbraw/zinc/84/53/95/1045845395.db2.gz STNNXVUYGPKGOI-KHPPLWFESA-N 0 0 300.789 4.110 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)C23CCC(CC2)CC3)cc1 ZINC001125166195 1045866010 /nfs/dbraw/zinc/86/60/10/1045866010.db2.gz FCKCDLUJFOUCMG-UHFFFAOYSA-N 0 0 314.473 4.119 20 10 DICDRN CCc1ccc(F)cc1C(=O)Nc1cccc(N2CCCC2)c1 ZINC001125187894 1045869734 /nfs/dbraw/zinc/86/97/34/1045869734.db2.gz KSJUIUCVCVQLDC-UHFFFAOYSA-N 0 0 312.388 4.241 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)[C@H](C)c2ccccc2C)cc1 ZINC001125235662 1045879491 /nfs/dbraw/zinc/87/94/91/1045879491.db2.gz SVZBOXYVAZGTIM-QGZVFWFLSA-N 0 0 324.468 4.261 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)NCC1(CCC)CC1 ZINC000802245165 1045927795 /nfs/dbraw/zinc/92/77/95/1045927795.db2.gz DIRSOFRFPCLOHS-UHFFFAOYSA-N 0 0 318.461 4.284 20 10 DICDRN CCCOc1cccc(N[C@H](C)c2cc(OC)ccc2O)c1 ZINC000192758805 1045930845 /nfs/dbraw/zinc/93/08/45/1045930845.db2.gz FCFFDFBAYOSGFV-CYBMUJFWSA-N 0 0 301.386 4.363 20 10 DICDRN COc1ccc(O)c([C@@H](C)Nc2ccccc2OC(F)F)c1 ZINC000192909019 1045952552 /nfs/dbraw/zinc/95/25/52/1045952552.db2.gz UPQGMKRANTYYAW-SNVBAGLBSA-N 0 0 309.312 4.175 20 10 DICDRN C[C@@H](Nc1ccc(OC(F)F)nc1)c1cc(Cl)ccc1O ZINC000802321487 1045954419 /nfs/dbraw/zinc/95/44/19/1045954419.db2.gz XZGGFGMDBWZKKX-MRVPVSSYSA-N 0 0 314.719 4.215 20 10 DICDRN CCOc1ccc(CNc2cnc(C(F)F)c(C)c2)c(O)c1 ZINC000902289728 1045965010 /nfs/dbraw/zinc/96/50/10/1045965010.db2.gz UDUHCYRPURWMJG-UHFFFAOYSA-N 0 0 308.328 4.044 20 10 DICDRN CN(Cc1scnc1Cl)Cc1ccc(N2CCCC2)cc1 ZINC001137822971 1045975175 /nfs/dbraw/zinc/97/51/75/1045975175.db2.gz MCPATGOYFYOHOU-UHFFFAOYSA-N 0 0 321.877 4.029 20 10 DICDRN CN(Cc1cccc(Cl)c1Cl)Cc1c(O)cccc1F ZINC001137837445 1045979805 /nfs/dbraw/zinc/97/98/05/1045979805.db2.gz HFHDZANNRKLSDQ-UHFFFAOYSA-N 0 0 314.187 4.470 20 10 DICDRN Cc1cc(C[N@@H+](C)Cc2ccncc2)c(C)n1-c1ccccc1 ZINC001137854013 1045984925 /nfs/dbraw/zinc/98/49/25/1045984925.db2.gz DYOKBXKBRDIIIT-UHFFFAOYSA-N 0 0 305.425 4.121 20 10 DICDRN COc1cc(SC)ccc1N[C@@H](C)c1ccc(F)cc1O ZINC000193441159 1046012577 /nfs/dbraw/zinc/01/25/77/1046012577.db2.gz GZEATCPENAHBIZ-JTQLQIEISA-N 0 0 307.390 4.435 20 10 DICDRN O=C(N[C@H](c1ccccc1F)C1CCCC1)C1=CC(=O)CS1 ZINC000755870545 1046023857 /nfs/dbraw/zinc/02/38/57/1046023857.db2.gz GHMAHPYSAJXTEX-INIZCTEOSA-N 0 0 319.401 4.254 20 10 DICDRN Cc1nc(COc2ccc(N3CCCC3)cc2)nc2ccccc12 ZINC000193667239 1046056547 /nfs/dbraw/zinc/05/65/47/1046056547.db2.gz SPJDGGZBDUADOM-UHFFFAOYSA-N 0 0 319.408 4.117 20 10 DICDRN CCC[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756338824 1046065300 /nfs/dbraw/zinc/06/53/00/1046065300.db2.gz AOXMDJRPGDJNNF-IUCAKERBSA-N 0 0 304.203 4.133 20 10 DICDRN COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756359996 1046070583 /nfs/dbraw/zinc/07/05/83/1046070583.db2.gz FDLFGYRGFSIFJM-VXGBXAGGSA-N 0 0 321.367 4.399 20 10 DICDRN C[C@@H]([NH2+]CCCO[C@@H](C)c1ccccc1)c1ccc(F)cc1[O-] ZINC000756357626 1046070888 /nfs/dbraw/zinc/07/08/88/1046070888.db2.gz GGEXULURQJCIKY-CABCVRRESA-N 0 0 317.404 4.350 20 10 DICDRN C[C@H]([NH2+]CCSc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756363358 1046071383 /nfs/dbraw/zinc/07/13/83/1046071383.db2.gz NNDZBAOHVUQCSH-NSHDSACASA-N 0 0 309.381 4.113 20 10 DICDRN C[C@H]([NH2+]CCCSc1ccccc1)c1ccc(F)cc1[O-] ZINC000756371622 1046071503 /nfs/dbraw/zinc/07/15/03/1046071503.db2.gz MBPYRYCGPFUWQZ-ZDUSSCGKSA-N 0 0 305.418 4.364 20 10 DICDRN C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)c1cc(F)cc(F)c1[O-] ZINC000756366057 1046072805 /nfs/dbraw/zinc/07/28/05/1046072805.db2.gz DORDPADTUCWHHR-APPDUMDISA-N 0 0 303.352 4.472 20 10 DICDRN C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CC1)c1ccc(F)cc1[O-] ZINC000756417201 1046078951 /nfs/dbraw/zinc/07/89/51/1046078951.db2.gz LBYRFOLIRJXMNF-GFCCVEGCSA-N 0 0 303.352 4.053 20 10 DICDRN CC(C)c1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000756453937 1046080604 /nfs/dbraw/zinc/08/06/04/1046080604.db2.gz JSDGOOIDJPGKRJ-ZDUSSCGKSA-N 0 0 314.385 4.275 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1c(F)cccc1F ZINC000756434242 1046081225 /nfs/dbraw/zinc/08/12/25/1046081225.db2.gz JZYNLZJNJOBALQ-DTWKUNHWSA-N 0 0 313.294 4.360 20 10 DICDRN CC(C)Oc1cccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756432874 1046081443 /nfs/dbraw/zinc/08/14/43/1046081443.db2.gz SKLIVPIPUBRYRQ-LBPRGKRZSA-N 0 0 321.367 4.308 20 10 DICDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccccc2C(C)C)c1 ZINC000830541024 1046081808 /nfs/dbraw/zinc/08/18/08/1046081808.db2.gz RAJPRQSNMTXPAD-CYBMUJFWSA-N 0 0 313.397 4.015 20 10 DICDRN C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1cc(F)cc(F)c1[O-] ZINC000756434243 1046082940 /nfs/dbraw/zinc/08/29/40/1046082940.db2.gz JZYNLZJNJOBALQ-IUCAKERBSA-N 0 0 313.294 4.360 20 10 DICDRN COc1ccc(O)c([C@H](C)NC(=O)c2cccc(C(C)C)c2)c1 ZINC000830541049 1046083154 /nfs/dbraw/zinc/08/31/54/1046083154.db2.gz RJLLUWDCONAMQW-ZDUSSCGKSA-N 0 0 313.397 4.015 20 10 DICDRN C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1cc(Br)cc(Cl)c1[O-] ZINC000756457221 1046084034 /nfs/dbraw/zinc/08/40/34/1046084034.db2.gz QQNWXHPFNMKBEX-VGMNWLOBSA-N 0 0 318.642 4.115 20 10 DICDRN Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000756459974 1046084085 /nfs/dbraw/zinc/08/40/85/1046084085.db2.gz QUNODEBMRBGSRQ-GHMZBOCLSA-N 0 0 306.387 4.082 20 10 DICDRN C[C@H]([NH2+]Cc1cc2c(s1)CCCC2)c1cc(F)cc(F)c1[O-] ZINC000756482844 1046086144 /nfs/dbraw/zinc/08/61/44/1046086144.db2.gz JGAXHXCFNMKZIC-JTQLQIEISA-N 0 0 323.408 4.462 20 10 DICDRN C[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1cccc(F)c1 ZINC000756476860 1046087988 /nfs/dbraw/zinc/08/79/88/1046087988.db2.gz WGJYYCFDTMHDQB-MNOVXSKESA-N 0 0 309.331 4.264 20 10 DICDRN Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756487099 1046089115 /nfs/dbraw/zinc/08/91/15/1046089115.db2.gz IEZMYVHNTKNXCI-PIGZYNQJSA-N 0 0 303.352 4.317 20 10 DICDRN Cc1ccc(OCCC[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756523794 1046093839 /nfs/dbraw/zinc/09/38/39/1046093839.db2.gz CYQVOJFVNRKGDA-ZDUSSCGKSA-N 0 0 321.367 4.099 20 10 DICDRN C[C@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)c1ccc(F)cc1[O-] ZINC000756508614 1046093995 /nfs/dbraw/zinc/09/39/95/1046093995.db2.gz JOFAXYGSEQBZFB-NSHDSACASA-N 0 0 316.351 4.045 20 10 DICDRN CCN(CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-])C(C)C ZINC000756527305 1046094331 /nfs/dbraw/zinc/09/43/31/1046094331.db2.gz XVRQNMBNGMTPPC-LLVKDONJSA-N 0 0 319.276 4.080 20 10 DICDRN CC[C@@H](C)N(C)CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756535041 1046095696 /nfs/dbraw/zinc/09/56/96/1046095696.db2.gz NGNVGFVYVNONHW-GHMZBOCLSA-N 0 0 319.276 4.080 20 10 DICDRN C[C@@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])c1ccc(F)cc1 ZINC000756531903 1046096727 /nfs/dbraw/zinc/09/67/27/1046096727.db2.gz BACUZUXHOHQKCO-WDEREUQCSA-N 0 0 309.331 4.264 20 10 DICDRN CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)Sc1nccs1 ZINC000194356562 1046097250 /nfs/dbraw/zinc/09/72/50/1046097250.db2.gz OTAPYRSZJXLNHK-CYBMUJFWSA-N 0 0 320.483 4.061 20 10 DICDRN C[C@H]([NH2+]CCCc1cccc(F)c1)c1cc(F)cc(F)c1[O-] ZINC000756564491 1046100451 /nfs/dbraw/zinc/10/04/51/1046100451.db2.gz SYUXDAZSYDLTGT-NSHDSACASA-N 0 0 309.331 4.093 20 10 DICDRN CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])Nc1ccccc1 ZINC000756556338 1046100985 /nfs/dbraw/zinc/10/09/85/1046100985.db2.gz NPVMHMFWTWDVRI-KSSFIOAISA-N 0 0 316.420 4.319 20 10 DICDRN CCC(CC)[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756569859 1046101137 /nfs/dbraw/zinc/10/11/37/1046101137.db2.gz SJKLVUNQRZOZJW-TVQRCGJNSA-N 0 0 320.260 4.147 20 10 DICDRN C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756589447 1046104217 /nfs/dbraw/zinc/10/42/17/1046104217.db2.gz LSACDHNHTHNXRH-NXEZZACHSA-N 0 0 320.260 4.147 20 10 DICDRN [O-]c1c(F)cccc1C[NH+]1CCC(Sc2ccccc2)CC1 ZINC001138129665 1046104768 /nfs/dbraw/zinc/10/47/68/1046104768.db2.gz QDBPLUQCZZBWEB-UHFFFAOYSA-N 0 0 317.429 4.288 20 10 DICDRN Cc1cccnc1[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C(C)C ZINC000756582456 1046104834 /nfs/dbraw/zinc/10/48/34/1046104834.db2.gz IUTBYIHPLLENJA-WBMJQRKESA-N 0 0 320.383 4.422 20 10 DICDRN Oc1c(F)cccc1CN1CC[C@H](c2ccccc2)C(F)(F)C1 ZINC001138130816 1046105165 /nfs/dbraw/zinc/10/51/65/1046105165.db2.gz ILYBEXHNPTXNCO-OAHLLOKOSA-N 0 0 321.342 4.156 20 10 DICDRN Cc1ccc([C@H](C)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000756592623 1046105760 /nfs/dbraw/zinc/10/57/60/1046105760.db2.gz JKVIWEVKAXELEF-KGLIPLIRSA-N 0 0 314.385 4.063 20 10 DICDRN CCc1cc(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])on1 ZINC000756605989 1046108108 /nfs/dbraw/zinc/10/81/08/1046108108.db2.gz KFSDYMDLTVUZAC-MRVPVSSYSA-N 0 0 315.200 4.100 20 10 DICDRN Cc1cccc(O[C@H](C)C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756608118 1046108272 /nfs/dbraw/zinc/10/82/72/1046108272.db2.gz IPYQMHBZUDVIJS-CHWSQXEVSA-N 0 0 321.367 4.097 20 10 DICDRN C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])Sc1ccccc1 ZINC000756609921 1046108979 /nfs/dbraw/zinc/10/89/79/1046108979.db2.gz PFCICXFRHXPZGS-CHWSQXEVSA-N 0 0 305.418 4.363 20 10 DICDRN Cc1ccc(O[C@H](C)C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756611394 1046109804 /nfs/dbraw/zinc/10/98/04/1046109804.db2.gz VQFUOOFGCSBIFW-CHWSQXEVSA-N 0 0 321.367 4.097 20 10 DICDRN CO[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccc(Cl)cc1 ZINC000756615028 1046109909 /nfs/dbraw/zinc/10/99/09/1046109909.db2.gz VBWPWPPEYLXBER-PIGZYNQJSA-N 0 0 323.795 4.223 20 10 DICDRN CSc1ccc(F)cc1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756627964 1046112471 /nfs/dbraw/zinc/11/24/71/1046112471.db2.gz STVBCQBQNYUJGI-SNVBAGLBSA-N 0 0 309.381 4.243 20 10 DICDRN CC[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])Oc1ccccc1F ZINC000756637905 1046114382 /nfs/dbraw/zinc/11/43/82/1046114382.db2.gz KYUMFOGLWYWACL-TZMCWYRMSA-N 0 0 321.367 4.179 20 10 DICDRN C[C@@H]([NH2+]C[C@H]1SCCc2ccccc21)c1ccc(F)cc1[O-] ZINC000756636259 1046114409 /nfs/dbraw/zinc/11/44/09/1046114409.db2.gz WJZTZDWHYNZETA-KZULUSFZSA-N 0 0 317.429 4.213 20 10 DICDRN C[C@@H]([NH2+]CCC(F)(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000756646590 1046116745 /nfs/dbraw/zinc/11/67/45/1046116745.db2.gz BOEURGFOHBZIGD-ZCFIWIBFSA-N 0 0 302.123 4.302 20 10 DICDRN C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1cc(Br)c(F)cc1[O-] ZINC000756687266 1046120224 /nfs/dbraw/zinc/12/02/24/1046120224.db2.gz YHVUDYGAXMBTFU-ZDMBXUJBSA-N 0 0 316.214 4.133 20 10 DICDRN C[C@@H]([NH2+]CCCC1CC1)c1cc(Br)cc(F)c1[O-] ZINC000756733315 1046123604 /nfs/dbraw/zinc/12/36/04/1046123604.db2.gz OSPLTUSLTHUHQE-SECBINFHSA-N 0 0 316.214 4.135 20 10 DICDRN C[C@@H]([NH2+]CCC1CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756731063 1046124296 /nfs/dbraw/zinc/12/42/96/1046124296.db2.gz CXJWIUXEPSVUGZ-MRVPVSSYSA-N 0 0 318.642 4.259 20 10 DICDRN C[C@@H]([NH2+]CC1(C)CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756735416 1046124418 /nfs/dbraw/zinc/12/44/18/1046124418.db2.gz BWSHKWYGPQUZBN-MRVPVSSYSA-N 0 0 318.642 4.259 20 10 DICDRN Cc1cc([C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])ccc1F ZINC000756738447 1046124628 /nfs/dbraw/zinc/12/46/28/1046124628.db2.gz HDOORWKODRIORB-VXGBXAGGSA-N 0 0 318.348 4.160 20 10 DICDRN CCC(CC)[C@H](CC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])OC ZINC000756757994 1046127827 /nfs/dbraw/zinc/12/78/27/1046127827.db2.gz DIWPNIMNRVIDAC-ZBEGNZNMSA-N 0 0 315.404 4.162 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)CCc2cccc(C)c2)cc1 ZINC000195646096 1046127946 /nfs/dbraw/zinc/12/79/46/1046127946.db2.gz HSXOMZWWIRYREA-UHFFFAOYSA-N 0 0 324.468 4.090 20 10 DICDRN CCC(CC)[C@@H](CC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])OC ZINC000756757991 1046128520 /nfs/dbraw/zinc/12/85/20/1046128520.db2.gz DIWPNIMNRVIDAC-MEDUHNTESA-N 0 0 315.404 4.162 20 10 DICDRN CCN(CC)c1ccc(CNc2nc(C)cc(C)c2C#N)cc1 ZINC000195668778 1046129474 /nfs/dbraw/zinc/12/94/74/1046129474.db2.gz LOGNCGSLMLVANR-UHFFFAOYSA-N 0 0 308.429 4.028 20 10 DICDRN CO[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccccc1Cl ZINC000756762733 1046129512 /nfs/dbraw/zinc/12/95/12/1046129512.db2.gz ZIIPMRVSNFKUSH-APPDUMDISA-N 0 0 323.795 4.223 20 10 DICDRN CCN(CC)c1ccc(CNc2cccc(F)c2C(C)=O)cc1 ZINC000195668781 1046129820 /nfs/dbraw/zinc/12/98/20/1046129820.db2.gz ZJFWNPFKLUBQPJ-UHFFFAOYSA-N 0 0 314.404 4.487 20 10 DICDRN C[C@H]([NH2+]Cc1ncccc1F)c1ccc(Cl)c(Cl)c1[O-] ZINC000756771059 1046129896 /nfs/dbraw/zinc/12/98/96/1046129896.db2.gz ZCUVSEIHURRYPI-QMMMGPOBSA-N 0 0 315.175 4.084 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)C1CCC1)c1cc(Br)cc(F)c1[O-] ZINC000756769506 1046130486 /nfs/dbraw/zinc/13/04/86/1046130486.db2.gz MBLPYUKPEXFLRO-DTWKUNHWSA-N 0 0 316.214 4.133 20 10 DICDRN C[C@H]([NH2+][C@@H](C)C1CCC1)c1cc(Br)c(F)cc1[O-] ZINC000756769027 1046130574 /nfs/dbraw/zinc/13/05/74/1046130574.db2.gz HYAVLHNJPUXEQL-IUCAKERBSA-N 0 0 316.214 4.133 20 10 DICDRN Cc1c(CN2Cc3cnc(Cl)cc3C2)c2ccccc2n1C ZINC001138259483 1046132628 /nfs/dbraw/zinc/13/26/28/1046132628.db2.gz IDQQFGGFWFAOLY-UHFFFAOYSA-N 0 0 311.816 4.051 20 10 DICDRN CCc1cnccc1[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756786502 1046133809 /nfs/dbraw/zinc/13/38/09/1046133809.db2.gz LXOWDQUHSLSTHC-GHMZBOCLSA-N 0 0 306.356 4.040 20 10 DICDRN CC[C@H](CSC)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756790921 1046135498 /nfs/dbraw/zinc/13/54/98/1046135498.db2.gz PTDCZIXELMFWAC-DTWKUNHWSA-N 0 0 308.274 4.491 20 10 DICDRN CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756788197 1046135925 /nfs/dbraw/zinc/13/59/25/1046135925.db2.gz BTVURISFNFYPNQ-FMTVUPSXSA-N 0 0 321.367 4.097 20 10 DICDRN CCc1cnccc1[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756786855 1046135961 /nfs/dbraw/zinc/13/59/61/1046135961.db2.gz LXOWDQUHSLSTHC-QWRGUYRKSA-N 0 0 306.356 4.040 20 10 DICDRN C[C@@H](Nc1ccc2c(c1)OCO2)c1cc2c(cc1O)CCCC2 ZINC000756796458 1046137070 /nfs/dbraw/zinc/13/70/70/1046137070.db2.gz PZAWNQFBHVKQQJ-GFCCVEGCSA-N 0 0 311.381 4.173 20 10 DICDRN COCc1cccc(N[C@H]2C[C@@H](C)c3c2c(O)ccc3F)c1 ZINC000756802689 1046137226 /nfs/dbraw/zinc/13/72/26/1046137226.db2.gz DTRVENLCBNOPDH-ABAIWWIYSA-N 0 0 301.361 4.338 20 10 DICDRN C[C@H](Nc1ccc(F)cc1)c1cc(Br)ccc1O ZINC000756795086 1046137770 /nfs/dbraw/zinc/13/77/70/1046137770.db2.gz GUYQQXYEVTWXGV-VIFPVBQESA-N 0 0 310.166 4.467 20 10 DICDRN C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1cc(Br)c(F)cc1[O-] ZINC000756817124 1046138765 /nfs/dbraw/zinc/13/87/65/1046138765.db2.gz HOCLEOFVICNTQS-IUCAKERBSA-N 0 0 316.214 4.133 20 10 DICDRN COc1c(F)cc(N[C@H](C)c2cc(F)cc(F)c2O)cc1F ZINC000756815790 1046139005 /nfs/dbraw/zinc/13/90/05/1046139005.db2.gz VDZFSASYIOGMMR-SSDOTTSWSA-N 0 0 315.266 4.130 20 10 DICDRN Cc1ccc(O)c([C@@H](C)Nc2ccc(N3CCCCC3)cn2)c1 ZINC000756814771 1046139028 /nfs/dbraw/zinc/13/90/28/1046139028.db2.gz LHYWPHUZDWZTOF-OAHLLOKOSA-N 0 0 311.429 4.259 20 10 DICDRN C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1cc(Br)cc(F)c1[O-] ZINC000756816465 1046139115 /nfs/dbraw/zinc/13/91/15/1046139115.db2.gz FJKJIDXZKNJAOP-IUCAKERBSA-N 0 0 316.214 4.133 20 10 DICDRN CCOc1ccc(N[C@H](C)c2cc(F)cc(F)c2O)cc1F ZINC000756815451 1046139453 /nfs/dbraw/zinc/13/94/53/1046139453.db2.gz QHNHDOQHZGKOCR-SECBINFHSA-N 0 0 311.303 4.381 20 10 DICDRN C[C@@H](Nc1ccc(OCC2CC2)cc1)c1cc(F)ccc1O ZINC000756834546 1046141639 /nfs/dbraw/zinc/14/16/39/1046141639.db2.gz GOHRFRKVWFLVTB-GFCCVEGCSA-N 0 0 301.361 4.493 20 10 DICDRN C[C@H](Nc1ccc(OCC2CC2)cc1)c1cc(F)ccc1O ZINC000756834547 1046142019 /nfs/dbraw/zinc/14/20/19/1046142019.db2.gz GOHRFRKVWFLVTB-LBPRGKRZSA-N 0 0 301.361 4.493 20 10 DICDRN CCc1c(N[C@@H](C)c2ccc(C)cc2O)cnn1CC(C)C ZINC000756856420 1046143807 /nfs/dbraw/zinc/14/38/07/1046143807.db2.gz PJCFOLDHPGDRCX-AWEZNQCLSA-N 0 0 301.434 4.289 20 10 DICDRN CC(C)Cn1cc(N[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)cn1 ZINC000756855071 1046144261 /nfs/dbraw/zinc/14/42/61/1046144261.db2.gz LIHVMZXHKAOEKR-BXUZGUMPSA-N 0 0 303.381 4.044 20 10 DICDRN C[C@H](Nc1ccn(-c2ccccc2)n1)c1cc(F)cc(F)c1O ZINC000756866550 1046145438 /nfs/dbraw/zinc/14/54/38/1046145438.db2.gz VMLASYIPHKUBMV-NSHDSACASA-N 0 0 315.323 4.029 20 10 DICDRN C[C@@H](Nc1ccn(-c2ccccc2)n1)c1cc(Cl)ccc1O ZINC000756865170 1046145635 /nfs/dbraw/zinc/14/56/35/1046145635.db2.gz CGCUQUMWNFWPLS-GFCCVEGCSA-N 0 0 313.788 4.404 20 10 DICDRN CC(=O)Nc1ccc(N[C@H]2C[C@H](C)c3c2c(O)ccc3F)cc1 ZINC000756862159 1046145960 /nfs/dbraw/zinc/14/59/60/1046145960.db2.gz AYBMVRZWQBPZLX-BONVTDFDSA-N 0 0 314.360 4.150 20 10 DICDRN Cc1c(N[C@@H]2C[C@H](C)c3c2c(O)ccc3F)cnn1CC(C)C ZINC000756874570 1046147064 /nfs/dbraw/zinc/14/70/64/1046147064.db2.gz SAPSZKSEAVYFAF-SMDDNHRTSA-N 0 0 317.408 4.353 20 10 DICDRN COc1cc(C)nc(CSc2ncc(C(C)(C)C)s2)c1 ZINC000756918999 1046151248 /nfs/dbraw/zinc/15/12/48/1046151248.db2.gz AOSZSOGLBGQRAF-UHFFFAOYSA-N 0 0 308.472 4.445 20 10 DICDRN CC(C)(CNC(=O)C1=CC(=O)CS1)Cc1cccc(Cl)c1 ZINC000757425665 1046175041 /nfs/dbraw/zinc/17/50/41/1046175041.db2.gz PBZSZEWTSDUDMF-UHFFFAOYSA-N 0 0 323.845 4.106 20 10 DICDRN C[C@H]1c2cc(F)cc(F)c2CCN1Cc1ccc(N(C)C)cc1 ZINC001168153247 1046182986 /nfs/dbraw/zinc/18/29/86/1046182986.db2.gz FKEUEOKSWCKTFI-ZDUSSCGKSA-N 0 0 316.395 4.150 20 10 DICDRN CC[C@@H]([NH2+]Cc1nccc2c1CCCC2)c1ccc(F)cc1[O-] ZINC000903181357 1046185473 /nfs/dbraw/zinc/18/54/73/1046185473.db2.gz IHIAWJRXDXFHJM-QGZVFWFLSA-N 0 0 314.404 4.046 20 10 DICDRN C[C@@H](Nc1ccc(F)cc1OC(F)F)c1cc(F)ccc1O ZINC000757620075 1046195826 /nfs/dbraw/zinc/19/58/26/1046195826.db2.gz FPQVFERKZQEYLT-MRVPVSSYSA-N 0 0 315.266 4.445 20 10 DICDRN Cc1cc2c(cc1N[C@H](C)c1cc(Cl)ccc1O)OCO2 ZINC000757638331 1046196252 /nfs/dbraw/zinc/19/62/52/1046196252.db2.gz PDYOZLBPECODEJ-SNVBAGLBSA-N 0 0 305.761 4.256 20 10 DICDRN C[C@H](Nc1cccc(CCCO)c1)c1cc(Cl)ccc1O ZINC000757639494 1046197440 /nfs/dbraw/zinc/19/74/40/1046197440.db2.gz PKAXFJONJISXJD-LBPRGKRZSA-N 0 0 305.805 4.144 20 10 DICDRN CSCCCCCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000757652470 1046197991 /nfs/dbraw/zinc/19/79/91/1046197991.db2.gz ABBBOFVFFMHSDT-NSHDSACASA-N 0 0 303.418 4.244 20 10 DICDRN COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1C ZINC000903235208 1046202944 /nfs/dbraw/zinc/20/29/44/1046202944.db2.gz VCDWNAWTFSUKFR-NEPJUHHUSA-N 0 0 321.367 4.399 20 10 DICDRN CC[C@H](N[C@@H]1c2ccccc2OC[C@@H]1F)c1ccc(C)cc1O ZINC000903271064 1046214838 /nfs/dbraw/zinc/21/48/38/1046214838.db2.gz GWSCLKLDKWNSOR-TXPKVOOTSA-N 0 0 315.388 4.213 20 10 DICDRN CC[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000088293614 1046224308 /nfs/dbraw/zinc/22/43/08/1046224308.db2.gz IDTOZMCTGOLECP-WDEREUQCSA-N 0 0 300.240 4.069 20 10 DICDRN CC[C@H]([NH2+][C@@H](c1ccccn1)C1CC1)c1ccc(F)cc1[O-] ZINC000903334994 1046245528 /nfs/dbraw/zinc/24/55/28/1046245528.db2.gz JLOUYZFULCYHPX-MAUKXSAKSA-N 0 0 300.377 4.118 20 10 DICDRN CC[C@@H]([NH2+][C@@H](c1ccccn1)C1CC1)c1ccc(F)cc1[O-] ZINC000903334993 1046246276 /nfs/dbraw/zinc/24/62/76/1046246276.db2.gz JLOUYZFULCYHPX-CRAIPNDOSA-N 0 0 300.377 4.118 20 10 DICDRN C[C@@H]1CC[C@@H](CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000759135369 1046323890 /nfs/dbraw/zinc/32/38/90/1046323890.db2.gz LBWWGWVSAQILGZ-NVXWUHKLSA-N 0 0 314.473 4.070 20 10 DICDRN CSc1ccccc1N(C)C(=O)/C=C\c1ccc(Cl)nc1 ZINC000759277916 1046341656 /nfs/dbraw/zinc/34/16/56/1046341656.db2.gz DJVAMALXGAJZEM-NTMALXAHSA-N 0 0 318.829 4.133 20 10 DICDRN Cc1ccncc1/C=C\C(=O)N(CC1CCC1)c1ccccc1 ZINC001126697114 1046343670 /nfs/dbraw/zinc/34/36/70/1046343670.db2.gz XWHMUCDWJLKODG-KHPPLWFESA-N 0 0 306.409 4.237 20 10 DICDRN CCCC1(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCC1 ZINC000759313364 1046343855 /nfs/dbraw/zinc/34/38/55/1046343855.db2.gz RRKXDNRRVDJALW-UHFFFAOYSA-N 0 0 314.473 4.214 20 10 DICDRN C[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC000759594936 1046364404 /nfs/dbraw/zinc/36/44/04/1046364404.db2.gz ORJJYEWSXNLQKN-BWLWAFFFSA-N 0 0 318.756 4.069 20 10 DICDRN O=C(C1=CC(=O)CS1)N1CCCCC[C@H]1c1ccccc1 ZINC000748377470 1046370382 /nfs/dbraw/zinc/37/03/82/1046370382.db2.gz XEKJVJSUEVOMHY-HNNXBMFYSA-N 0 0 301.411 4.211 20 10 DICDRN CC(C)OC(=O)O[C@@H](C)Sc1ncc(C(C)(C)C)s1 ZINC000759714539 1046372119 /nfs/dbraw/zinc/37/21/19/1046372119.db2.gz SBQVVTWOGQSYTO-SECBINFHSA-N 0 0 303.449 4.440 20 10 DICDRN O=C(NCc1ccccc1O)Nc1cccc(Cl)c1Cl ZINC000748437894 1046373186 /nfs/dbraw/zinc/37/31/86/1046373186.db2.gz BZGHLKCERLBILZ-UHFFFAOYSA-N 0 0 311.168 4.021 20 10 DICDRN CCC[C@H](C)NC(=O)[C@@H](C)Sc1ncc(C(C)(C)C)s1 ZINC000759713265 1046374756 /nfs/dbraw/zinc/37/47/56/1046374756.db2.gz IEZLWJDVLPPIMR-WDEREUQCSA-N 0 0 314.520 4.226 20 10 DICDRN Cc1cc(C(=O)CSc2ncc(C(C)(C)C)s2)c(C)[nH]1 ZINC000759717199 1046376272 /nfs/dbraw/zinc/37/62/72/1046376272.db2.gz AEFHKOFUMKCNSQ-UHFFFAOYSA-N 0 0 308.472 4.361 20 10 DICDRN CN(C(=O)CSc1ncc(C(C)(C)C)s1)c1ccccc1 ZINC000759720149 1046376565 /nfs/dbraw/zinc/37/65/65/1046376565.db2.gz WIYGYHFOWQUUEJ-UHFFFAOYSA-N 0 0 320.483 4.196 20 10 DICDRN CCC[C@@H](C)CC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000748614569 1046390962 /nfs/dbraw/zinc/39/09/62/1046390962.db2.gz VODUISBUBQXQCS-MRXNPFEDSA-N 0 0 304.478 4.318 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)c1cc(Cl)ccc1C ZINC000753650778 1046406913 /nfs/dbraw/zinc/40/69/13/1046406913.db2.gz IIUSINUZDVDCSB-UHFFFAOYSA-N 0 0 317.816 4.406 20 10 DICDRN Cc1nnc(Sc2ncc(Cl)s2)n1-c1ccccc1C ZINC000780906384 1046412375 /nfs/dbraw/zinc/41/23/75/1046412375.db2.gz LWIHPZUIYYBRMV-UHFFFAOYSA-N 0 0 322.846 4.145 20 10 DICDRN Cc1cc(Cl)cc(C)c1NC(=O)NCc1c(O)cccc1F ZINC001202923447 1046428922 /nfs/dbraw/zinc/42/89/22/1046428922.db2.gz HVURZQWVNKYZGD-UHFFFAOYSA-N 0 0 322.767 4.123 20 10 DICDRN O=C1N[C@H](c2cc(Cl)c3ccccc3c2O)Nc2ccccc21 ZINC000091516256 1046470268 /nfs/dbraw/zinc/47/02/68/1046470268.db2.gz BNHSRMWTORBIIL-QGZVFWFLSA-N 0 0 324.767 4.053 20 10 DICDRN Cc1cc(Br)c([O-])c(C[N@H+](C)Cc2ccccc2)c1 ZINC000781900483 1046484443 /nfs/dbraw/zinc/48/44/43/1046484443.db2.gz LMWKHKWGWOSKDM-UHFFFAOYSA-N 0 0 320.230 4.095 20 10 DICDRN CCN(C)c1ccc([C@@H](C)Nc2cccc(CCCO)c2)cc1 ZINC000781917111 1046485604 /nfs/dbraw/zinc/48/56/04/1046485604.db2.gz CHCXXQUKGUZVOR-MRXNPFEDSA-N 0 0 312.457 4.241 20 10 DICDRN Cc1cnc(CN(C)c2ccc(OCc3ccccc3)cc2)cn1 ZINC000781964393 1046490549 /nfs/dbraw/zinc/49/05/49/1046490549.db2.gz SLCBAFRCBSGPSZ-UHFFFAOYSA-N 0 0 319.408 4.000 20 10 DICDRN Cc1csc(CN2CCCc3cc(O)c(O)cc3C2)c1Cl ZINC001137292849 1046491647 /nfs/dbraw/zinc/49/16/47/1046491647.db2.gz SFNKISNCBBMXEA-UHFFFAOYSA-N 0 0 323.845 4.070 20 10 DICDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001139683353 1046498468 /nfs/dbraw/zinc/49/84/68/1046498468.db2.gz HNDZYHGRUBVEPD-CQSZACIVSA-N 0 0 303.352 4.050 20 10 DICDRN [O-]c1c(F)ccc(F)c1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC001139685864 1046499395 /nfs/dbraw/zinc/49/93/95/1046499395.db2.gz ZIZLXUDOLFNTOU-UHFFFAOYSA-N 0 0 317.379 4.125 20 10 DICDRN O=C(CC1CCCC1)N(Cc1ccco1)Cc1ccccc1O ZINC000247857198 1046501864 /nfs/dbraw/zinc/50/18/64/1046501864.db2.gz KHJPJJJGAZDWMW-UHFFFAOYSA-N 0 0 313.397 4.094 20 10 DICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC1CCCC1 ZINC000248048017 1046534127 /nfs/dbraw/zinc/53/41/27/1046534127.db2.gz MTUFQAWAJWHRIU-UHFFFAOYSA-N 0 0 314.473 4.216 20 10 DICDRN CCc1cccc(CNc2ccc3c(c2)[C@@H](O)CCCC3)c1O ZINC000827024429 1046544010 /nfs/dbraw/zinc/54/40/10/1046544010.db2.gz CGTZKKPDNGLQRN-IBGZPJMESA-N 0 0 311.425 4.327 20 10 DICDRN O=C(Nc1ncc(C2CCCCC2)s1)C1=CC(=O)CS1 ZINC000782876305 1046545080 /nfs/dbraw/zinc/54/50/80/1046545080.db2.gz BDEPTISBSAGWSD-UHFFFAOYSA-N 0 0 308.428 4.210 20 10 DICDRN Nc1ccc(Cc2ccccc2Nc2ccc(CCO)cc2)cc1 ZINC001212931624 1046547658 /nfs/dbraw/zinc/54/76/58/1046547658.db2.gz NQJLQNFKDFKQPM-UHFFFAOYSA-N 0 0 318.420 4.138 20 10 DICDRN COc1cc(N[C@H]2C[C@H](C)c3c2c(O)ccc3F)ccc1F ZINC000783306728 1046576561 /nfs/dbraw/zinc/57/65/61/1046576561.db2.gz MALCNBGZUGECKP-ZANVPECISA-N 0 0 305.324 4.339 20 10 DICDRN CCC[C@H](C(=O)c1ccccc1)[N@H+](C)Cc1cc(F)ccc1O ZINC001140060194 1046577021 /nfs/dbraw/zinc/57/70/21/1046577021.db2.gz OUQJEIKZWJYOQF-QGZVFWFLSA-N 0 0 315.388 4.015 20 10 DICDRN C[C@@H]([NH2+]C[C@H]1CCC=CO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000783306638 1046577196 /nfs/dbraw/zinc/57/71/96/1046577196.db2.gz ZUWCFKMARUIIOB-NXEZZACHSA-N 0 0 302.201 4.042 20 10 DICDRN Oc1ccc(F)cc1C[N@@H+]1CCCC[C@H]1c1ccccc1F ZINC001140055184 1046577795 /nfs/dbraw/zinc/57/77/95/1046577795.db2.gz BAYCWMURWIKEIZ-KRWDZBQOSA-N 0 0 303.352 4.398 20 10 DICDRN Oc1ccc(F)cc1C[N@@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC001140055167 1046579232 /nfs/dbraw/zinc/57/92/32/1046579232.db2.gz MWGLXXILIMYEON-LBPRGKRZSA-N 0 0 305.780 4.174 20 10 DICDRN CC[C@H]([NH2+]C[C@@H](c1cccnc1)C(C)C)c1ccc(F)cc1[O-] ZINC000796794583 1046589948 /nfs/dbraw/zinc/58/99/48/1046589948.db2.gz VVVCNMQMCAEISH-MSOLQXFVSA-N 0 0 316.420 4.407 20 10 DICDRN CCOc1cc2c(cc1N[C@H](C)c1ccccc1O)O[C@@H](C)C2 ZINC000783528554 1046605284 /nfs/dbraw/zinc/60/52/84/1046605284.db2.gz OFNHJEWLPSFENZ-QWHCGFSZSA-N 0 0 313.397 4.287 20 10 DICDRN CC(C)Cn1ncc(N[C@H](C)c2ccccc2O)c1C(F)F ZINC000783531610 1046605309 /nfs/dbraw/zinc/60/53/09/1046605309.db2.gz CWHAGIMCJCTROM-LLVKDONJSA-N 0 0 309.360 4.355 20 10 DICDRN CN(Cc1nc2c(s1)CCCC2)Cc1cc(Cl)ccc1O ZINC000093336033 1046622020 /nfs/dbraw/zinc/62/20/20/1046622020.db2.gz VABDMMSJQPOLHG-UHFFFAOYSA-N 0 0 322.861 4.013 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)C23CCC(CC2)C3)cc1 ZINC000783804262 1046633993 /nfs/dbraw/zinc/63/39/93/1046633993.db2.gz LZVOFLKBTCRFMR-UHFFFAOYSA-N 0 0 314.473 4.072 20 10 DICDRN CCOc1ccc2[nH]cc(C[N@H+](CC)Cc3ccccc3O)c2c1 ZINC001140272082 1046634982 /nfs/dbraw/zinc/63/49/82/1046634982.db2.gz ODIGUUXOCKTEMI-UHFFFAOYSA-N 0 0 324.424 4.294 20 10 DICDRN CC(C)(C)c1cnc(SCC(=O)Cc2ccccc2)s1 ZINC000783908027 1046644832 /nfs/dbraw/zinc/64/48/32/1046644832.db2.gz ZYYIFWGYCZFFKU-UHFFFAOYSA-N 0 0 305.468 4.345 20 10 DICDRN Cc1ccc(N[C@@H]2CCc3cccc(O)c32)cc1OC(F)F ZINC000834726342 1046656764 /nfs/dbraw/zinc/65/67/64/1046656764.db2.gz PIKWNMZTVYJTRY-CYBMUJFWSA-N 0 0 305.324 4.401 20 10 DICDRN Cc1ccncc1/C=C/C(=O)N(C)c1c(Cl)cccc1Cl ZINC000784086926 1046659988 /nfs/dbraw/zinc/65/99/88/1046659988.db2.gz AOOLTOWILUCVCJ-VOTSOKGWSA-N 0 0 321.207 4.373 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCCc2c(F)cccc21)c1ccc(F)cc1[O-] ZINC000834814103 1046674073 /nfs/dbraw/zinc/67/40/73/1046674073.db2.gz FDYZTPCDPQDONX-APPDUMDISA-N 0 0 303.352 4.399 20 10 DICDRN Oc1ccc2c(c1CNc1nc3c(cccc3F)o1)CCCC2 ZINC000784218904 1046675057 /nfs/dbraw/zinc/67/50/57/1046675057.db2.gz YDAGAUOPHFVCGO-UHFFFAOYSA-N 0 0 312.344 4.163 20 10 DICDRN CC[C@@H]([NH2+]CCC(C)(C)CO)c1cc(Cl)cc(Cl)c1[O-] ZINC000834869683 1046690236 /nfs/dbraw/zinc/69/02/36/1046690236.db2.gz CNBCNQUHFZNBKH-CYBMUJFWSA-N 0 0 320.260 4.148 20 10 DICDRN Cc1cscc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000094878226 1046690252 /nfs/dbraw/zinc/69/02/52/1046690252.db2.gz VDNRTZKSRPZTCL-UHFFFAOYSA-N 0 0 302.226 4.359 20 10 DICDRN CC[C@H]([NH2+]C[C@H](C)CCCO)c1cc(Cl)cc(Cl)c1[O-] ZINC000834869675 1046690310 /nfs/dbraw/zinc/69/03/10/1046690310.db2.gz CJMBZIHPNKWZCV-YGRLFVJLSA-N 0 0 320.260 4.148 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)CC(C)(C)O)c1cc(Cl)cc(Cl)c1[O-] ZINC000834876843 1046693334 /nfs/dbraw/zinc/69/33/34/1046693334.db2.gz RNJQPKUJMXSJRC-NOZJJQNGSA-N 0 0 320.260 4.289 20 10 DICDRN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)c(O)c1 ZINC000834885201 1046698747 /nfs/dbraw/zinc/69/87/47/1046698747.db2.gz HRXWWOHCZSSHBV-JZXOWHBKSA-N 0 0 305.462 4.111 20 10 DICDRN Cc1cccnc1CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000834886234 1046700050 /nfs/dbraw/zinc/70/00/50/1046700050.db2.gz QYVDZQJTIHGSAD-LBPRGKRZSA-N 0 0 324.346 4.008 20 10 DICDRN CCc1ncc(C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])o1 ZINC000834899117 1046708799 /nfs/dbraw/zinc/70/87/99/1046708799.db2.gz IFOTZXAYTARWFH-MRVPVSSYSA-N 0 0 315.200 4.100 20 10 DICDRN Cc1c(Cl)cccc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000784893949 1046714506 /nfs/dbraw/zinc/71/45/06/1046714506.db2.gz OOAWKLQEIWRGGY-ZDUSSCGKSA-N 0 0 316.832 4.205 20 10 DICDRN C[C@@H](Nc1cccc(CCO)c1)c1ccc(N2CCCCC2)cc1 ZINC000834907269 1046716643 /nfs/dbraw/zinc/71/66/43/1046716643.db2.gz MQVNIZYZVDJDTD-QGZVFWFLSA-N 0 0 324.468 4.385 20 10 DICDRN Cc1ccc(CC[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])nc1 ZINC000834911382 1046717304 /nfs/dbraw/zinc/71/73/04/1046717304.db2.gz YRIKAIFLVVBAMB-LBPRGKRZSA-N 0 0 324.346 4.008 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)c1ccc(F)cc1[O-] ZINC000796695255 1046717918 /nfs/dbraw/zinc/71/79/18/1046717918.db2.gz OESNXKMWXCINIG-RLCCDNCMSA-N 0 0 303.377 4.489 20 10 DICDRN Cc1cc(Cl)cc([C@H](C)Nc2cccc(CCO)c2)c1O ZINC000834910936 1046718102 /nfs/dbraw/zinc/71/81/02/1046718102.db2.gz GODRNTKFIHQEMR-LBPRGKRZSA-N 0 0 305.805 4.062 20 10 DICDRN CC[C@H]([NH2+]CCc1ccc(F)cc1F)c1ccc(F)cc1[O-] ZINC000796758082 1046728560 /nfs/dbraw/zinc/72/85/60/1046728560.db2.gz AHIZGPDGVBNFOG-INIZCTEOSA-N 0 0 309.331 4.093 20 10 DICDRN CC[C@@H]([NH2+][C@H]1CSc2ccccc21)c1ccc(F)cc1[O-] ZINC000796780353 1046732713 /nfs/dbraw/zinc/73/27/13/1046732713.db2.gz RIQSSNSIZCYGAX-CABCVRRESA-N 0 0 303.402 4.419 20 10 DICDRN Oc1cc(Cl)ccc1C[N@@H+]1CCSc2ccccc2C1 ZINC001140464155 1046735491 /nfs/dbraw/zinc/73/54/91/1046735491.db2.gz DVSOIOMOOVOJLM-UHFFFAOYSA-N 0 0 305.830 4.154 20 10 DICDRN CC[N@H+](CCc1ccc(OC)cc1)Cc1ccc(Cl)cc1O ZINC001140464277 1046736760 /nfs/dbraw/zinc/73/67/60/1046736760.db2.gz JFYGDEUDUYFHBH-UHFFFAOYSA-N 0 0 319.832 4.119 20 10 DICDRN CN(Cc1ccc(Cl)cc1O)[C@@H](C1CCC1)C(F)(F)F ZINC001140465382 1046737163 /nfs/dbraw/zinc/73/71/63/1046737163.db2.gz LBOPFJOFMKJRBJ-ZDUSSCGKSA-N 0 0 307.743 4.208 20 10 DICDRN CC[C@@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)c1ccc(F)cc1[O-] ZINC000796835423 1046742019 /nfs/dbraw/zinc/74/20/19/1046742019.db2.gz LQBPUGTWSBZRRK-NVXWUHKLSA-N 0 0 321.436 4.454 20 10 DICDRN CC[C@H]([NH2+][C@H]1COc2ccc(Cl)cc21)c1ccc(F)cc1[O-] ZINC000796831913 1046742550 /nfs/dbraw/zinc/74/25/50/1046742550.db2.gz KMMXKXPUUDBVMA-GJZGRUSLSA-N 0 0 321.779 4.359 20 10 DICDRN CC[C@@H]([NH2+][C@@H]1COc2ccc(Cl)cc21)c1ccc(F)cc1[O-] ZINC000796831916 1046742663 /nfs/dbraw/zinc/74/26/63/1046742663.db2.gz KMMXKXPUUDBVMA-HUUCEWRRSA-N 0 0 321.779 4.359 20 10 DICDRN CC[C@H](Nc1ccc(N(C)C)cc1C)c1ccc(F)cc1O ZINC000796857207 1046747203 /nfs/dbraw/zinc/74/72/03/1046747203.db2.gz YFANPRSYNOAQPY-INIZCTEOSA-N 0 0 302.393 4.469 20 10 DICDRN CC[C@H](Nc1ccc2cnn(CC)c2c1)c1ccc(F)cc1O ZINC000796907974 1046757686 /nfs/dbraw/zinc/75/76/86/1046757686.db2.gz RQFFFHNOMUJVMS-INIZCTEOSA-N 0 0 313.376 4.464 20 10 DICDRN CC[C@H](Nc1cccc(CCCO)c1)c1ccc(F)cc1O ZINC000796936933 1046760502 /nfs/dbraw/zinc/76/05/02/1046760502.db2.gz KKROGFYPRMAOPI-KRWDZBQOSA-N 0 0 303.377 4.019 20 10 DICDRN CC[C@H](Nc1cc2c(cc1C)OCO2)c1ccc(F)cc1O ZINC000796934390 1046761303 /nfs/dbraw/zinc/76/13/03/1046761303.db2.gz CDJLFEBXCNPENR-ZDUSSCGKSA-N 0 0 303.333 4.132 20 10 DICDRN CC[C@@H]([NH2+]Cc1c(Cl)cccc1OC)c1ccc(F)cc1[O-] ZINC000796964526 1046764682 /nfs/dbraw/zinc/76/46/82/1046764682.db2.gz GAVBDMVZMWCKMI-OAHLLOKOSA-N 0 0 323.795 4.434 20 10 DICDRN Cc1cccc([C@H]2CCC[N@@H+]2Cc2c([O-])cc(F)cc2F)c1 ZINC001140582383 1046793274 /nfs/dbraw/zinc/79/32/74/1046793274.db2.gz HCRNSFFNORZBRQ-QGZVFWFLSA-N 0 0 303.352 4.316 20 10 DICDRN Cc1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000302763424 1046802296 /nfs/dbraw/zinc/80/22/96/1046802296.db2.gz MICAWZTXDOQHJD-UHFFFAOYSA-N 0 0 322.452 4.258 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1ccc(C)cc1 ZINC000302894143 1046816012 /nfs/dbraw/zinc/81/60/12/1046816012.db2.gz ZGWMKZDCMLDPOG-UHFFFAOYSA-N 0 0 324.468 4.042 20 10 DICDRN CCc1cc(C)cc(CC)c1NC(=O)NCc1ccccc1O ZINC000797682326 1046876149 /nfs/dbraw/zinc/87/61/49/1046876149.db2.gz ORGLQEIERJZVTR-UHFFFAOYSA-N 0 0 312.413 4.147 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccoc1C(C)C ZINC000797714014 1046878775 /nfs/dbraw/zinc/87/87/75/1046878775.db2.gz BVRYNLNJIBAUSA-UHFFFAOYSA-N 0 0 314.429 4.131 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1[C@H](C)[C@H]1c1ccccc1 ZINC000797737487 1046879219 /nfs/dbraw/zinc/87/92/19/1046879219.db2.gz BPPNXFBKNICTFB-UIAACRFSSA-N 0 0 323.436 4.181 20 10 DICDRN Cc1cc(NC(=O)NCc2ccccc2O)cc(C(F)(F)F)c1 ZINC000753244558 1046883409 /nfs/dbraw/zinc/88/34/09/1046883409.db2.gz KFQVKXCHZQQCMG-UHFFFAOYSA-N 0 0 324.302 4.041 20 10 DICDRN Cc1cc(C(=O)NC2CCCCC2)c(C)n1-c1ccc(C#N)cc1 ZINC000303222565 1046893592 /nfs/dbraw/zinc/89/35/92/1046893592.db2.gz VRMITJIVLMRNCW-UHFFFAOYSA-N 0 0 321.424 4.028 20 10 DICDRN Cc1ccc(CN2CCCc3cc(O)c(O)cc3C2)c(Cl)c1 ZINC001140800350 1046904813 /nfs/dbraw/zinc/90/48/13/1046904813.db2.gz CPOKIODAVSJDGS-UHFFFAOYSA-N 0 0 317.816 4.008 20 10 DICDRN CSc1ccc(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000797999191 1046918279 /nfs/dbraw/zinc/91/82/79/1046918279.db2.gz RBUIKDUVELNIRO-GFCCVEGCSA-N 0 0 305.418 4.147 20 10 DICDRN CC[C@H](C)CN(C)C(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C ZINC000303502073 1046925808 /nfs/dbraw/zinc/92/58/08/1046925808.db2.gz NHKOBXGQXUQMPN-AWEZNQCLSA-N 0 0 323.440 4.084 20 10 DICDRN COCCCCN(Cc1cccs1)c1ccc(OC)cc1 ZINC000303580983 1046932984 /nfs/dbraw/zinc/93/29/84/1046932984.db2.gz QYELTYULDGCZAO-UHFFFAOYSA-N 0 0 305.443 4.190 20 10 DICDRN Cc1ccc(CC[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])cn1 ZINC000798183538 1046933377 /nfs/dbraw/zinc/93/33/77/1046933377.db2.gz NGKYSTSCKVJTOF-LBPRGKRZSA-N 0 0 324.346 4.008 20 10 DICDRN Cc1cnc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])s1 ZINC000798183569 1046933995 /nfs/dbraw/zinc/93/39/95/1046933995.db2.gz NVUBIADWKYRVCU-SECBINFHSA-N 0 0 316.348 4.027 20 10 DICDRN Cc1ccccc1[C@H](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000303690571 1046948222 /nfs/dbraw/zinc/94/82/22/1046948222.db2.gz MPMCMFDQDUUYIL-QGZVFWFLSA-N 0 0 324.468 4.213 20 10 DICDRN Cc1ccc(-c2ccnn2C)cc1NCc1ccc(N(C)C)cc1 ZINC000798501078 1046957784 /nfs/dbraw/zinc/95/77/84/1046957784.db2.gz FUCRNABHSNTMQW-UHFFFAOYSA-N 0 0 320.440 4.074 20 10 DICDRN Cc1ccc([N+](=O)[O-])c(NCc2ccc(N3CCCC3)cc2)c1 ZINC000322102375 1046991865 /nfs/dbraw/zinc/99/18/65/1046991865.db2.gz DRELKDZLJHZLMW-UHFFFAOYSA-N 0 0 311.385 4.116 20 10 DICDRN C[N@H+](CCCOCc1ccccc1)Cc1cccc(Cl)c1[O-] ZINC000798963741 1046992818 /nfs/dbraw/zinc/99/28/18/1046992818.db2.gz CMVHKNBYQFMTHO-UHFFFAOYSA-N 0 0 319.832 4.084 20 10 DICDRN CCN(C(=O)/C=C/c1cnccc1C)c1ccc(Cl)cc1F ZINC000799409503 1047026763 /nfs/dbraw/zinc/02/67/63/1047026763.db2.gz FALHHTSXXVFERW-QPJJXVBHSA-N 0 0 318.779 4.249 20 10 DICDRN CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000799729627 1047058403 /nfs/dbraw/zinc/05/84/03/1047058403.db2.gz PUDQZDYMDJPWPR-DVJZZOLTSA-N 0 0 318.244 4.307 20 10 DICDRN CC(C)c1ccc(/C=C\CC(=O)NCc2ccc(N)cc2)cc1 ZINC000837302815 1047068593 /nfs/dbraw/zinc/06/85/93/1047068593.db2.gz IBYCLLAFAQTNLZ-ARJAWSKDSA-N 0 0 308.425 4.112 20 10 DICDRN Cc1ccc(C)c(NC(=S)NCc2cc(C)cc(Cl)n2)c1 ZINC000799899282 1047073045 /nfs/dbraw/zinc/07/30/45/1047073045.db2.gz NFGKVCNHDVBXCM-UHFFFAOYSA-N 0 0 319.861 4.147 20 10 DICDRN Cc1cc(Cl)c(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC001141280832 1047075379 /nfs/dbraw/zinc/07/53/79/1047075379.db2.gz HOLYEAYPMQQCQU-GQCTYLIASA-N 0 0 317.772 4.020 20 10 DICDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@H]1c1ccccc1F ZINC001139684567 1047082661 /nfs/dbraw/zinc/08/26/61/1047082661.db2.gz ZLPNZUURFIBFJN-INIZCTEOSA-N 0 0 307.315 4.147 20 10 DICDRN COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139684503 1047083073 /nfs/dbraw/zinc/08/30/73/1047083073.db2.gz XJOZWVAXZAEEJI-INIZCTEOSA-N 0 0 319.351 4.016 20 10 DICDRN Cc1cccc(NC2=NC(=O)C(=Cc3ccccc3F)S2)c1 ZINC000208035859 1047083187 /nfs/dbraw/zinc/08/31/87/1047083187.db2.gz MAQVWSYFAYVOAE-GDNBJRDFSA-N 0 0 312.369 4.217 20 10 DICDRN Cc1cc(C)c(C=C2SC(NC3CCCC3)=NC2=O)cc1C ZINC000208144559 1047083248 /nfs/dbraw/zinc/08/32/48/1047083248.db2.gz SCUUMAINWLTDJC-MHWRWJLKSA-N 0 0 314.454 4.114 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](CC)CC(F)F ZINC000837604419 1047094617 /nfs/dbraw/zinc/09/46/17/1047094617.db2.gz HORXEWWGSMPXHX-CYBMUJFWSA-N 0 0 313.388 4.202 20 10 DICDRN C[N@H+](CCC1CC1)Cc1cc(Cl)cc(Br)c1[O-] ZINC001141374976 1047107748 /nfs/dbraw/zinc/10/77/48/1047107748.db2.gz UIRSNLAPVZCUFU-UHFFFAOYSA-N 0 0 318.642 4.040 20 10 DICDRN Cc1cc(C(=O)Nc2ccc(C)cn2)c(C)n1-c1ccc(F)cc1 ZINC000253602605 1047126876 /nfs/dbraw/zinc/12/68/76/1047126876.db2.gz QFCWFYRHSJBFOJ-UHFFFAOYSA-N 0 0 323.371 4.189 20 10 DICDRN CCCC[C@@H](CC)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001141455901 1047136551 /nfs/dbraw/zinc/13/65/51/1047136551.db2.gz VLDMTYPPFYAIHN-LLVKDONJSA-N 0 0 321.442 4.259 20 10 DICDRN CCCCCCC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000827638686 1047140324 /nfs/dbraw/zinc/14/03/24/1047140324.db2.gz HVWMMQJGBLHVRE-UHFFFAOYSA-N 0 0 304.478 4.462 20 10 DICDRN Cc1cc(-c2nnc([C@H]3CCCOC3)o2)c(C)n1-c1ccccc1 ZINC001117165799 1047196354 /nfs/dbraw/zinc/19/63/54/1047196354.db2.gz ZOOIWPAKFOYHGM-HNNXBMFYSA-N 0 0 323.396 4.038 20 10 DICDRN Cc1cc(-c2nnc(CC3CCC3)o2)c(C)n1-c1ccccc1 ZINC001117203733 1047206080 /nfs/dbraw/zinc/20/60/80/1047206080.db2.gz JJGWQDOKTVOKQT-UHFFFAOYSA-N 0 0 307.397 4.487 20 10 DICDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)c1cncnc1 ZINC000760456279 1047239045 /nfs/dbraw/zinc/23/90/45/1047239045.db2.gz WALWCPHFBVNQBG-UHFFFAOYSA-N 0 0 303.325 4.144 20 10 DICDRN C[C@H](NC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)c1ccc(N(C)C)cc1 ZINC000839728582 1047261178 /nfs/dbraw/zinc/26/11/78/1047261178.db2.gz MILCNMDVTPDJJF-DLVCFXQMSA-N 0 0 322.452 4.124 20 10 DICDRN C[C@H](CC(=O)N[C@H](C)c1ccccc1O)c1ccc(F)cc1F ZINC000827940651 1047263189 /nfs/dbraw/zinc/26/31/89/1047263189.db2.gz GOZWZLRPVLKEKI-VXGBXAGGSA-N 0 0 319.351 4.041 20 10 DICDRN CC(C)(C)c1ccc(Cc2noc(Cc3ccc(N)cc3)n2)cc1 ZINC001118243473 1047276378 /nfs/dbraw/zinc/27/63/78/1047276378.db2.gz RZIBGGHFUKHZJW-UHFFFAOYSA-N 0 0 321.424 4.131 20 10 DICDRN C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)c1ccccc1O ZINC000827952067 1047283737 /nfs/dbraw/zinc/28/37/37/1047283737.db2.gz FIWCPWWXLXWRLY-XFBWCDHKSA-N 0 0 315.800 4.027 20 10 DICDRN C[C@@H]([NH2+]C[C@H](C)COCc1ccccc1)c1ccc(F)cc1[O-] ZINC000389911337 1047293552 /nfs/dbraw/zinc/29/35/52/1047293552.db2.gz KBDHHQPNQRGMMT-LSDHHAIUSA-N 0 0 317.404 4.035 20 10 DICDRN Cc1ccc([C@H](C)Nc2ccc(N3CCCCC3)nc2)c(O)c1 ZINC000390317086 1047295332 /nfs/dbraw/zinc/29/53/32/1047295332.db2.gz PHOYOPDIVVFNQM-HNNXBMFYSA-N 0 0 311.429 4.259 20 10 DICDRN C[C@@H](Nc1ccc2c(c1)OCCCO2)c1ccc(N(C)C)cc1 ZINC000390285071 1047296004 /nfs/dbraw/zinc/29/60/04/1047296004.db2.gz FIQSVPOLGWFWOQ-CQSZACIVSA-N 0 0 312.413 4.087 20 10 DICDRN CC(C)(C)c1coc(CNCc2ccc3ccccc3c2O)n1 ZINC000897944481 1047303939 /nfs/dbraw/zinc/30/39/39/1047303939.db2.gz NWTFWANBPSHXOO-UHFFFAOYSA-N 0 0 310.397 4.121 20 10 DICDRN CC(C)C(=O)Nc1ccc(N[C@H](C)c2cc(F)ccc2O)cc1 ZINC000391278729 1047304753 /nfs/dbraw/zinc/30/47/53/1047304753.db2.gz LZQLUVSRZGRBGA-GFCCVEGCSA-N 0 0 316.376 4.299 20 10 DICDRN C[C@H](NC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)c1ccccc1O ZINC000827955528 1047308810 /nfs/dbraw/zinc/30/88/10/1047308810.db2.gz ARCOUVMQRBFCQT-USXIJHARSA-N 0 0 309.409 4.153 20 10 DICDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001142527109 1047309047 /nfs/dbraw/zinc/30/90/47/1047309047.db2.gz KTYMJMQLVVONPQ-LBPRGKRZSA-N 0 0 323.770 4.313 20 10 DICDRN C[N@H+](Cc1cc(F)c(F)cc1[O-])C(C)(C)Cc1ccccc1 ZINC001142527527 1047309268 /nfs/dbraw/zinc/30/92/68/1047309268.db2.gz XZICLZGARZMIIY-UHFFFAOYSA-N 0 0 305.368 4.124 20 10 DICDRN Oc1c(C[N@@H+]2CC[C@H](Cc3nccs3)C2)ccc2ccccc21 ZINC000898068953 1047315830 /nfs/dbraw/zinc/31/58/30/1047315830.db2.gz SEURYPASIMUARE-CQSZACIVSA-N 0 0 324.449 4.067 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000898218211 1047324016 /nfs/dbraw/zinc/32/40/16/1047324016.db2.gz AVYQVKMPWIUUMS-BBRMVZONSA-N 0 0 316.832 4.257 20 10 DICDRN CC[C@@H]([NH2+]Cc1cnc(C)o1)c1ccc(Cl)c(Cl)c1[O-] ZINC000840794501 1047333493 /nfs/dbraw/zinc/33/34/93/1047333493.db2.gz JHEWQPRBJPBJSV-GFCCVEGCSA-N 0 0 315.200 4.236 20 10 DICDRN C[C@@H]1C[C@H]([NH2+]C2CCC(C(F)F)CC2)c2c1c(F)ccc2O ZINC000840808933 1047337241 /nfs/dbraw/zinc/33/72/41/1047337241.db2.gz YLFMWZKSEFXOTB-PGHLRGPGSA-N 0 0 313.363 4.493 20 10 DICDRN COc1cc(N[C@H](C)c2ccccc2O)cc(OC)c1Cl ZINC000840813006 1047338392 /nfs/dbraw/zinc/33/83/92/1047338392.db2.gz 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C[C@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1ccc(Cl)cc1[O-] ZINC000841745638 1047448397 /nfs/dbraw/zinc/44/83/97/1047448397.db2.gz RLZCADTZHQKCBC-BLLLJJGKSA-N 0 0 321.852 4.008 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)c1c(C)nn(C)c1C ZINC000841748509 1047448475 /nfs/dbraw/zinc/44/84/75/1047448475.db2.gz ADNHHLTVTVVSJN-BONVTDFDSA-N 0 0 321.852 4.198 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCCC12CCOCC2)c1ccc(Cl)cc1[O-] ZINC000841750963 1047450071 /nfs/dbraw/zinc/45/00/71/1047450071.db2.gz DEZXMDQBWGYBNV-MLGOLLRUSA-N 0 0 309.837 4.046 20 10 DICDRN C[C@H]([NH2+]C1CCC(OC(F)F)CC1)c1ccc(Cl)cc1[O-] ZINC000841752406 1047450667 /nfs/dbraw/zinc/45/06/67/1047450667.db2.gz AOUJTIITQDIRLU-GCVQQVDUSA-N 0 0 319.779 4.247 20 10 DICDRN C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccc(Cl)cc1[O-] ZINC000841749711 1047450507 /nfs/dbraw/zinc/45/05/07/1047450507.db2.gz HNTDTWSNMQMTNF-WQFMGJDKSA-N 0 0 321.848 4.044 20 10 DICDRN Cc1csc([C@H](C)C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])n1 ZINC000841751743 1047451500 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[O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@H]1c1ccccc1F ZINC001142524548 1047464689 /nfs/dbraw/zinc/46/46/89/1047464689.db2.gz AXEFMNOPCLQGSQ-INIZCTEOSA-N 0 0 307.315 4.147 20 10 DICDRN COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(F)c(F)cc2[O-])cc1 ZINC001142521094 1047465058 /nfs/dbraw/zinc/46/50/58/1047465058.db2.gz XMPVMVMIMHZPRM-KRWDZBQOSA-N 0 0 319.351 4.016 20 10 DICDRN CCC(=O)N(C)CCC=C1c2ccccc2CCc2ccccc21 ZINC001142718815 1047485843 /nfs/dbraw/zinc/48/58/43/1047485843.db2.gz RFULXOPSEPRRCS-UHFFFAOYSA-N 0 0 319.448 4.475 20 10 DICDRN CCOc1cccc(CNc2ccc(F)cc2SC)c1O ZINC000842779810 1047504123 /nfs/dbraw/zinc/50/41/23/1047504123.db2.gz UITHAJIYKXBSOX-UHFFFAOYSA-N 0 0 307.390 4.264 20 10 DICDRN CC[C@H]([NH2+]C1(c2ccccc2OC)CC1)c1ccc(F)cc1[O-] ZINC000842902799 1047512844 /nfs/dbraw/zinc/51/28/44/1047512844.db2.gz NZIWIRRYDRASCI-INIZCTEOSA-N 0 0 315.388 4.270 20 10 DICDRN COc1ccccc1C1([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000842902826 1047512853 /nfs/dbraw/zinc/51/28/53/1047512853.db2.gz 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CCc1nccnc1N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001163486376 1048477591 /nfs/dbraw/zinc/47/75/91/1048477591.db2.gz IXSWSTPOVVMUSH-QGZVFWFLSA-N 0 0 311.429 4.097 20 10 DICDRN CCc1cnc(N[C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)nc1 ZINC001163486320 1048477786 /nfs/dbraw/zinc/47/77/86/1048477786.db2.gz HWEDXBHHKWLOLN-KRWDZBQOSA-N 0 0 311.429 4.097 20 10 DICDRN Cc1cccc(C)c1NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001202204101 1048480707 /nfs/dbraw/zinc/48/07/07/1048480707.db2.gz PQUJQNOKWKYDCP-UHFFFAOYSA-N 0 0 311.429 4.033 20 10 DICDRN O=C(NCc1cc2ccccc2cc1O)Nc1cccc(F)c1 ZINC001202234507 1048499682 /nfs/dbraw/zinc/49/96/82/1048499682.db2.gz SNGUQGYTOIQAEW-UHFFFAOYSA-N 0 0 310.328 4.006 20 10 DICDRN CCOc1ccc(N(C)Cc2ccc([Si](C)(C)C)cc2)cc1 ZINC001175947063 1048522962 /nfs/dbraw/zinc/52/29/62/1048522962.db2.gz OWAPGQVUBQGVRF-UHFFFAOYSA-N 0 0 313.517 4.267 20 10 DICDRN Clc1cccc(-c2nnc(CSc3nccs3)o2)c1 ZINC000106588374 1048527018 /nfs/dbraw/zinc/52/70/18/1048527018.db2.gz AIPRAWNAHXTXDL-UHFFFAOYSA-N 0 0 309.803 4.139 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0 323.392 4.019 20 10 DICDRN Cc1cccc(CNC(=O)Nc2ccccc2C(C)(C)C)c1O ZINC001189609756 1048645365 /nfs/dbraw/zinc/64/53/65/1048645365.db2.gz ZSNHMFLCZDTPNB-UHFFFAOYSA-N 0 0 312.413 4.320 20 10 DICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000850391611 1048645669 /nfs/dbraw/zinc/64/56/69/1048645669.db2.gz VTNNMQMGMIPHAS-UHFFFAOYSA-N 0 0 319.754 4.242 20 10 DICDRN Cn1c(-c2ccccc2)cnc1SC[C@@H]1CC2(CCC2)CO1 ZINC001165275584 1048672178 /nfs/dbraw/zinc/67/21/78/1048672178.db2.gz KDLYNZCRNWYPBR-HNNXBMFYSA-N 0 0 314.454 4.138 20 10 DICDRN Cc1ccncc1CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000850505793 1048672846 /nfs/dbraw/zinc/67/28/46/1048672846.db2.gz YJKLUXGZDQZBRF-GFCCVEGCSA-N 0 0 324.346 4.008 20 10 DICDRN C[C@@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1ccc(F)cc1[O-] ZINC000850521039 1048676993 /nfs/dbraw/zinc/67/69/93/1048676993.db2.gz NECRGUBMZSNPOS-LLVKDONJSA-N 0 0 319.351 4.062 20 10 DICDRN C[C@H]([NH2+]CC[C@]1(C)CC1(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000850537475 1048687055 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Nc1ccc(NC(=O)N2CCC[C@@H](C3CCCCC3)C2)cc1 ZINC000850751205 1048707514 /nfs/dbraw/zinc/70/75/14/1048707514.db2.gz WGORHHKNQKIXFC-OAHLLOKOSA-N 0 0 301.434 4.093 20 10 DICDRN CC(C)c1ccc(C(C)(C)NC(=O)Nc2ccc(N)cc2)cc1 ZINC000850752456 1048707737 /nfs/dbraw/zinc/70/77/37/1048707737.db2.gz OIAVEPUHPONOEI-UHFFFAOYSA-N 0 0 311.429 4.449 20 10 DICDRN CCc1nccn1CC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C ZINC001165867944 1048723607 /nfs/dbraw/zinc/72/36/07/1048723607.db2.gz ASZZKECUMGDCMZ-UHFFFAOYSA-N 0 0 321.424 4.044 20 10 DICDRN CCCCCC[C@](C)(CCC)C(=O)NCc1cccc(O)c1O ZINC001176564878 1048726859 /nfs/dbraw/zinc/72/68/59/1048726859.db2.gz GMGCBZQPXCTSRY-IBGZPJMESA-N 0 0 321.461 4.491 20 10 DICDRN O=C(c1ccncc1)c1ccccc1Nc1cc(O)cc(Cl)c1 ZINC001176625899 1048739588 /nfs/dbraw/zinc/73/95/88/1048739588.db2.gz RVHNCZYOWLYYNB-UHFFFAOYSA-N 0 0 324.767 4.415 20 10 DICDRN CCN(C)C(=O)c1cccc(N=Nc2ccc(N(C)C)cc2)c1 ZINC001190964064 1048807827 /nfs/dbraw/zinc/80/78/27/1048807827.db2.gz OGNMXCPVOQGNSC-UHFFFAOYSA-N 0 0 310.401 4.260 20 10 DICDRN C[C@H]1CCN1C(=O)c1cccc(N=Nc2ccc(N(C)C)cc2)c1 ZINC001190964848 1048808528 /nfs/dbraw/zinc/80/85/28/1048808528.db2.gz VYBMIFYNIBNGGD-AWEZNQCLSA-N 0 0 322.412 4.402 20 10 DICDRN Cc1ccc(F)cc1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775428379 1048821232 /nfs/dbraw/zinc/82/12/32/1048821232.db2.gz NNNSGNXLZGHWJY-ZDUSSCGKSA-N 0 0 315.392 4.083 20 10 DICDRN COc1cc(N(C)C[C@@H](C)CC(C)(C)C)cc(OC)c1OC ZINC001191013223 1048822268 /nfs/dbraw/zinc/82/22/68/1048822268.db2.gz GQDCROVLRYSCDR-ZDUSSCGKSA-N 0 0 309.450 4.221 20 10 DICDRN CN(Cc1cc(C2CC2)no1)c1ccc(-c2nccs2)cc1 ZINC000852165459 1048825912 /nfs/dbraw/zinc/82/59/12/1048825912.db2.gz DPOIFAGFKFFSKU-UHFFFAOYSA-N 0 0 311.410 4.312 20 10 DICDRN C[C@H](NC(=O)N1Cc2ccccc2[C@H]1C)c1ccc(N(C)C)cc1 ZINC000773613392 1048840396 /nfs/dbraw/zinc/84/03/96/1048840396.db2.gz QLFIXRLAHKBITH-LSDHHAIUSA-N 0 0 323.440 4.100 20 10 DICDRN CNc1ccc(N(Cc2ccccc2)c2ccc(N)cc2)c(F)n1 ZINC001203361724 1048881577 /nfs/dbraw/zinc/88/15/77/1048881577.db2.gz IDLUNZNTBBGOBA-UHFFFAOYSA-N 0 0 322.387 4.183 20 10 DICDRN Oc1cccc2c1CN(Cc1ccc(Cl)cc1Cl)CC2 ZINC001203392981 1048889554 /nfs/dbraw/zinc/88/95/54/1048889554.db2.gz QKUDKIKRXRRXQJ-UHFFFAOYSA-N 0 0 308.208 4.257 20 10 DICDRN COc1ncc(Nc2ccc(Cc3ccc(N)cc3)cc2)cc1F ZINC001203410892 1048892690 /nfs/dbraw/zinc/89/26/90/1048892690.db2.gz XCMLBIDZZDTMML-UHFFFAOYSA-N 0 0 323.371 4.146 20 10 DICDRN CCN(CC)c1ccc(CNc2ccc(N)c(C)c2)cc1F ZINC000853250758 1048894323 /nfs/dbraw/zinc/89/43/23/1048894323.db2.gz ZNUPTPRQBZJCQV-UHFFFAOYSA-N 0 0 301.409 4.175 20 10 DICDRN Clc1cc(OCc2cncs2)ccc1N1CCCCC1 ZINC000853724961 1048916506 /nfs/dbraw/zinc/91/65/06/1048916506.db2.gz HSXJNGRCHAXXEP-UHFFFAOYSA-N 0 0 308.834 4.366 20 10 DICDRN C[C@@H]1C[C@H](C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CO1 ZINC000784007167 1048924332 /nfs/dbraw/zinc/92/43/32/1048924332.db2.gz CNIZAYMQGOFXRT-KGLIPLIRSA-N 0 0 309.369 4.466 20 10 DICDRN CC[C@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001177624866 1048925615 /nfs/dbraw/zinc/92/56/15/1048925615.db2.gz XAQOOXBVHVXCGF-OAHLLOKOSA-N 0 0 307.796 4.296 20 10 DICDRN Cc1cc(C)c(CNC(=O)c2ccc(F)c(C)c2Cl)c(O)c1 ZINC001191385246 1048931008 /nfs/dbraw/zinc/93/10/08/1048931008.db2.gz YTFVIHLRPLKFIF-UHFFFAOYSA-N 0 0 321.779 4.040 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+](Cc1ccco1)C1CC1 ZINC001203582058 1048937755 /nfs/dbraw/zinc/93/77/55/1048937755.db2.gz ORFZSNIGKSDXBK-UHFFFAOYSA-N 0 0 312.196 4.457 20 10 DICDRN COc1cccc(C[N@@H+]2CCCC[C@H]2c2ccccc2F)c1O ZINC001203595955 1048937898 /nfs/dbraw/zinc/93/78/98/1048937898.db2.gz UKLFMGFDEZJBIP-KRWDZBQOSA-N 0 0 315.388 4.267 20 10 DICDRN Cc1cc(N(C)C)ccc1CNCc1c(F)ccc(F)c1Cl ZINC001177804590 1048947989 /nfs/dbraw/zinc/94/79/89/1048947989.db2.gz QYIHTTWQGGDGCX-UHFFFAOYSA-N 0 0 324.802 4.282 20 10 DICDRN CN(C)c1ccc(N=Nc2ccc(NC(=O)NC3CC3)cc2)cc1 ZINC001191486765 1048952784 /nfs/dbraw/zinc/95/27/84/1048952784.db2.gz MXCOUAZWIPNTAC-UHFFFAOYSA-N 0 0 323.400 4.452 20 10 DICDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCCC12CCCCC2 ZINC000854270575 1048961264 /nfs/dbraw/zinc/96/12/64/1048961264.db2.gz RHXFWFBOJLKTJQ-QGZVFWFLSA-N 0 0 316.445 4.037 20 10 DICDRN CCN(Cc1cc(F)cc(C(C)=O)c1O)c1cc(C)ccc1C ZINC001191635737 1048970134 /nfs/dbraw/zinc/97/01/34/1048970134.db2.gz KXIIDJMDYFXFSR-UHFFFAOYSA-N 0 0 315.388 4.377 20 10 DICDRN CCN(C(=O)/C=C\c1scnc1C)c1ccc(Cl)cc1 ZINC000776762729 1048999651 /nfs/dbraw/zinc/99/96/51/1048999651.db2.gz UJKUOUXEIHCERR-HJWRWDBZSA-N 0 0 306.818 4.171 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc([C@@H](C)O)cc1)c1cc(Cl)ccc1O ZINC000775491028 1049013248 /nfs/dbraw/zinc/01/32/48/1049013248.db2.gz XYOUWOCMFCCPHP-PXAZEXFGSA-N 0 0 319.832 4.340 20 10 DICDRN Cc1ncsc1/C=C/C(=O)N(C)c1cccc(C(C)C)c1 ZINC000776797613 1049013434 /nfs/dbraw/zinc/01/34/34/1049013434.db2.gz JVHXDNXVVQCLBT-CMDGGOBGSA-N 0 0 300.427 4.251 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc([C@H](C)O)cc1)c1cc(Cl)ccc1O ZINC000775491030 1049013791 /nfs/dbraw/zinc/01/37/91/1049013791.db2.gz XYOUWOCMFCCPHP-SJCJKPOMSA-N 0 0 319.832 4.340 20 10 DICDRN COc1ccc(N(C)C[C@H]2CC[C@@H](c3ccccc3)O2)cc1F ZINC001191890734 1049015592 /nfs/dbraw/zinc/01/55/92/1049015592.db2.gz ASTPTQLRRREOHZ-AEFFLSMTSA-N 0 0 315.388 4.191 20 10 DICDRN Cc1ccc(N(CC(C)C)C(=O)/C=C/c2cncc(C)c2)cc1 ZINC001276425981 1049018132 /nfs/dbraw/zinc/01/81/32/1049018132.db2.gz LFMWHJNEXROUAA-JXMROGBWSA-N 0 0 308.425 4.401 20 10 DICDRN C[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001178317061 1049020643 /nfs/dbraw/zinc/02/06/43/1049020643.db2.gz FNVKEDBZHWLXHH-DIFFPNOSSA-N 0 0 303.352 4.084 20 10 DICDRN CCN(C)c1ccc([C@@H](C)Nc2ccc(OC)c(F)c2)cc1 ZINC000776812135 1049035580 /nfs/dbraw/zinc/03/55/80/1049035580.db2.gz WCFRFECULFHGHD-CYBMUJFWSA-N 0 0 302.393 4.464 20 10 DICDRN COc1ccc(N(CC[C@H]2CCCO2)Cc2ccccc2)cc1 ZINC001192061109 1049038509 /nfs/dbraw/zinc/03/85/09/1049038509.db2.gz JTQBZOFXDGKOBW-HXUWFJFHSA-N 0 0 311.425 4.271 20 10 DICDRN CC[C@@H](COC)[NH2+][C@@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775509984 1049047256 /nfs/dbraw/zinc/04/72/56/1049047256.db2.gz SYHXSJNVTCEDKW-CABZTGNLSA-N 0 0 306.233 4.165 20 10 DICDRN CC[C@H]([NH2+]CCCSC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775506510 1049048284 /nfs/dbraw/zinc/04/82/84/1049048284.db2.gz AHCZEPMFPPMEQI-NSHDSACASA-N 0 0 308.274 4.493 20 10 DICDRN CC[C@H]([NH2+]C[C@]1(C)CCCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775513874 1049057396 /nfs/dbraw/zinc/05/73/96/1049057396.db2.gz VPIIFMGTKNOFDE-WFASDCNBSA-N 0 0 318.244 4.309 20 10 DICDRN Cc1ncsc1/C=C/C(=O)N(C)c1ccc(C(C)C)cc1 ZINC000776870032 1049073861 /nfs/dbraw/zinc/07/38/61/1049073861.db2.gz RGCFJBRCXFUBDP-MDZDMXLPSA-N 0 0 300.427 4.251 20 10 DICDRN COc1ccc2c(c1)CCCCN2Cc1csc([N+](=O)[O-])c1 ZINC001192314517 1049076332 /nfs/dbraw/zinc/07/63/32/1049076332.db2.gz IFXQGGLFBGZMON-UHFFFAOYSA-N 0 0 318.398 4.008 20 10 DICDRN CC[C@H](O)CCC[NH2+][C@@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775525831 1049090555 /nfs/dbraw/zinc/09/05/55/1049090555.db2.gz GATPYYIAKXFABR-GWCFXTLKSA-N 0 0 320.260 4.291 20 10 DICDRN Cn1c(NC(=O)Nc2ccc3sccc3c2)nc2ccccc21 ZINC001192421010 1049094145 /nfs/dbraw/zinc/09/41/45/1049094145.db2.gz YVRJWNOETJQTOK-UHFFFAOYSA-N 0 0 322.393 4.432 20 10 DICDRN CC[C@@H](Nc1ccc(CCO)cc1)c1cc(Cl)ccc1O ZINC000775540992 1049124435 /nfs/dbraw/zinc/12/44/35/1049124435.db2.gz RNOMYVKZLLECPY-MRXNPFEDSA-N 0 0 305.805 4.144 20 10 DICDRN COc1cc(C)c(N[C@H](C)c2cc(F)cc(F)c2O)cc1F ZINC000775567218 1049171769 /nfs/dbraw/zinc/17/17/69/1049171769.db2.gz YGMVFGRPPURDCT-SECBINFHSA-N 0 0 311.303 4.300 20 10 DICDRN CC(C)Cc1ccccc1C(=O)NCc1cc(Cl)ccc1O ZINC000857548865 1049173308 /nfs/dbraw/zinc/17/33/08/1049173308.db2.gz YDFRESLUUFMNGY-UHFFFAOYSA-N 0 0 317.816 4.174 20 10 DICDRN CCCN(CCC)c1ccc(CNc2n[nH]c(C)c2C)cc1 ZINC001179610913 1049184490 /nfs/dbraw/zinc/18/44/90/1049184490.db2.gz BMQPUVKNWLZWLQ-UHFFFAOYSA-N 0 0 300.450 4.265 20 10 DICDRN CN(C)c1ccc(-c2nc(C(=O)Nc3ccccc3)cs2)cc1 ZINC001193162060 1049184520 /nfs/dbraw/zinc/18/45/20/1049184520.db2.gz TXJQGLSYYYIQSW-UHFFFAOYSA-N 0 0 323.421 4.128 20 10 DICDRN Cc1cc(O)c(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c(Cl)c1 ZINC001204565473 1049190305 /nfs/dbraw/zinc/19/03/05/1049190305.db2.gz NPIWMPAJRBTELH-KRWDZBQOSA-N 0 0 317.816 4.397 20 10 DICDRN O=C(Nc1ccc(F)c(C2CC2)c1)c1ccc(O)c(O)c1Cl ZINC001193229089 1049191683 /nfs/dbraw/zinc/19/16/83/1049191683.db2.gz CZCJSKBALQLNSA-UHFFFAOYSA-N 0 0 321.735 4.020 20 10 DICDRN C[C@H](NC(=O)Nc1cccc2[nH]ccc21)c1ccc(N(C)C)cc1 ZINC000775589952 1049195461 /nfs/dbraw/zinc/19/54/61/1049195461.db2.gz ZUCJOHMVITUQKA-ZDUSSCGKSA-N 0 0 322.412 4.117 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)C[C@H]1CCc2ccccc21 ZINC000115711676 1049206152 /nfs/dbraw/zinc/20/61/52/1049206152.db2.gz DGYQBZYRIYCDJJ-QGZVFWFLSA-N 0 0 323.436 4.251 20 10 DICDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)OC1CCCCC1 ZINC001193619766 1049231140 /nfs/dbraw/zinc/23/11/40/1049231140.db2.gz JGGPQTYOOSPNBT-UHFFFAOYSA-N 0 0 316.445 4.188 20 10 DICDRN O=C(NCc1ccc(N2CCCCC2)cc1)OC1CCCCC1 ZINC001193638088 1049237313 /nfs/dbraw/zinc/23/73/13/1049237313.db2.gz MOEBFXHHRZWTJQ-UHFFFAOYSA-N 0 0 316.445 4.236 20 10 DICDRN [O-]c1c(F)cccc1C[N@@H+]1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC001204750281 1049252424 /nfs/dbraw/zinc/25/24/24/1049252424.db2.gz ZAKPDVFKWRPZHK-QGZVFWFLSA-N 0 0 317.379 4.268 20 10 DICDRN C[C@@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1cc(F)cc(F)c1[O-] ZINC000858483947 1049261544 /nfs/dbraw/zinc/26/15/44/1049261544.db2.gz FCQYNBIJTBNJBY-PIGZYNQJSA-N 0 0 318.367 4.257 20 10 DICDRN Cc1ccc(C(C)(C)C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])nc1 ZINC000858488536 1049263868 /nfs/dbraw/zinc/26/38/68/1049263868.db2.gz VTNXPBIQDLEDDQ-GFCCVEGCSA-N 0 0 320.383 4.002 20 10 DICDRN CC[C@H]([NH2+]Cc1cc(C)n(-c2ccccc2)c1C)c1nccn1C ZINC000858542214 1049272241 /nfs/dbraw/zinc/27/22/41/1049272241.db2.gz JKCKXTTYLOWUIG-IBGZPJMESA-N 0 0 322.456 4.069 20 10 DICDRN Cc1cc(C[NH2+][C@H](C)c2cnccn2)c(C)n1-c1cccc(C)c1 ZINC000858541055 1049272557 /nfs/dbraw/zinc/27/25/57/1049272557.db2.gz GBIAFMTVOBYAEI-MRXNPFEDSA-N 0 0 320.440 4.043 20 10 DICDRN C[C@@H]([NH2+]Cc1csc(C(F)(F)F)c1)c1ccc(F)cc1[O-] ZINC000858563049 1049275067 /nfs/dbraw/zinc/27/50/67/1049275067.db2.gz LQDUQOVNLGUHOQ-MRVPVSSYSA-N 0 0 319.323 4.462 20 10 DICDRN CC[C@@H](Nc1ccc(COC)c(OC)c1)c1ccc(C)cc1O ZINC000858567809 1049275448 /nfs/dbraw/zinc/27/54/48/1049275448.db2.gz JUOHURXDFVYRJW-QGZVFWFLSA-N 0 0 315.413 4.419 20 10 DICDRN C[C@H]([NH2+]CC1(C(F)(F)F)CCCC1)c1ccc(F)cc1[O-] ZINC000858567274 1049275790 /nfs/dbraw/zinc/27/57/90/1049275790.db2.gz AKKYDKWVBXRYTH-JTQLQIEISA-N 0 0 305.315 4.305 20 10 DICDRN O=C(NC[C@@H]1CCOC1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000043189118 1049278574 /nfs/dbraw/zinc/27/85/74/1049278574.db2.gz NIPOVQMFUMKEFR-OXBTWTFQSA-N 0 0 324.384 4.260 20 10 DICDRN CC(C)[N@H+](Cc1cccc(F)c1)Cc1cc(F)c(F)cc1[O-] ZINC001180153878 1049299394 /nfs/dbraw/zinc/29/93/94/1049299394.db2.gz MVLKJKASKQFPRR-UHFFFAOYSA-N 0 0 309.331 4.220 20 10 DICDRN Cc1cc(O)c(C[N@H+](C)CCCOc2ccccc2)c(Cl)c1 ZINC001180272063 1049325841 /nfs/dbraw/zinc/32/58/41/1049325841.db2.gz YKWQVWQTFHGNGF-UHFFFAOYSA-N 0 0 319.832 4.255 20 10 DICDRN Oc1cccc(Cl)c1CNc1ccc(OC(F)F)c(F)c1 ZINC000149142711 1049331777 /nfs/dbraw/zinc/33/17/77/1049331777.db2.gz VFUXJUROTLKUMM-UHFFFAOYSA-N 0 0 317.694 4.398 20 10 DICDRN Cc1ccc(O)c(CNC(=O)Nc2cc(C)c(F)cc2Cl)c1 ZINC001204988582 1049332042 /nfs/dbraw/zinc/33/20/42/1049332042.db2.gz FTVFTDSCHUNAPK-UHFFFAOYSA-N 0 0 322.767 4.123 20 10 DICDRN Cc1cc(O)c(CN2CCc3ccc(F)cc3C2)c(Cl)c1 ZINC001180296502 1049337403 /nfs/dbraw/zinc/33/74/03/1049337403.db2.gz JLLVFVNAKWDUJI-UHFFFAOYSA-N 0 0 305.780 4.051 20 10 DICDRN COc1ccc2c(c1)CCN2Cc1cccc(OC(C)(C)C)c1 ZINC001180296822 1049340083 /nfs/dbraw/zinc/34/00/83/1049340083.db2.gz MEQHKKIOUZAXLH-UHFFFAOYSA-N 0 0 311.425 4.435 20 10 DICDRN CCC[C@@H](C(=O)NCc1cccc(Cl)c1O)c1ccccc1 ZINC001180400692 1049352868 /nfs/dbraw/zinc/35/28/68/1049352868.db2.gz NPRVIBKDYNLIJG-OAHLLOKOSA-N 0 0 317.816 4.246 20 10 DICDRN CC1(C)CN(Cc2ccc(Cl)cc2O)c2ccccc2O1 ZINC001180613852 1049384787 /nfs/dbraw/zinc/38/47/87/1049384787.db2.gz VXSYMXJIOVHJQD-UHFFFAOYSA-N 0 0 303.789 4.223 20 10 DICDRN Oc1ccc(Cl)c(F)c1CNc1c[nH]nc1-c1ccccc1 ZINC001180666240 1049396045 /nfs/dbraw/zinc/39/60/45/1049396045.db2.gz UOICDBMEVRXISW-UHFFFAOYSA-N 0 0 317.751 4.187 20 10 DICDRN COc1ccc2c(c1)CCCN2C[C@@H]1CCc2ccccc2C1 ZINC001180715624 1049396241 /nfs/dbraw/zinc/39/62/41/1049396241.db2.gz CFVKUGDJZCGKBO-MRXNPFEDSA-N 0 0 307.437 4.253 20 10 DICDRN COc1cc(Cl)cc(CN2CCc3ccc(Cl)cc32)c1O ZINC001180750145 1049401365 /nfs/dbraw/zinc/40/13/65/1049401365.db2.gz BBEAIAXRRXTBRW-UHFFFAOYSA-N 0 0 324.207 4.270 20 10 DICDRN Cc1ccc2c(c1)N(Cc1cc(Cl)cc(F)c1O)CCC2 ZINC001180752169 1049402022 /nfs/dbraw/zinc/40/20/22/1049402022.db2.gz PZPKHSVLZVALAQ-UHFFFAOYSA-N 0 0 305.780 4.446 20 10 DICDRN [O-]c1c(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)ccc(F)c1F ZINC001205171242 1049402165 /nfs/dbraw/zinc/40/21/65/1049402165.db2.gz YVIPOUZDROZEPT-OAHLLOKOSA-N 0 0 307.315 4.147 20 10 DICDRN CCN1CCN(Cc2cc(Cl)c(C)cc2O)c2ccccc21 ZINC001180732535 1049402905 /nfs/dbraw/zinc/40/29/05/1049402905.db2.gz QJQYOFPDQCQWBA-UHFFFAOYSA-N 0 0 316.832 4.201 20 10 DICDRN C[N@H+](Cc1ccc(Cl)cc1)Cc1cc(Cl)c(F)cc1[O-] ZINC001205178218 1049403711 /nfs/dbraw/zinc/40/37/11/1049403711.db2.gz SEZCCUNOQKRUFJ-UHFFFAOYSA-N 0 0 314.187 4.470 20 10 DICDRN C[C@@H](NC(=O)C1(C)CCC(F)(F)CC1)c1ccc(N(C)C)cc1 ZINC000860951138 1049423791 /nfs/dbraw/zinc/42/37/91/1049423791.db2.gz ZJVYOROFQWEZDJ-CYBMUJFWSA-N 0 0 324.415 4.145 20 10 DICDRN COc1ccc2c(c1)CCCN2Cc1nc(C(C)(C)C)cs1 ZINC001205328468 1049439810 /nfs/dbraw/zinc/43/98/10/1049439810.db2.gz ZONIJCJUHDSPSK-UHFFFAOYSA-N 0 0 316.470 4.402 20 10 DICDRN Cc1ccc2c(c1)N(Cc1c(O)cccc1Br)CC2 ZINC001205334357 1049441043 /nfs/dbraw/zinc/44/10/43/1049441043.db2.gz GVOWNNNANZDYAI-UHFFFAOYSA-N 0 0 318.214 4.026 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)C[C@@H](C)C(F)(F)F ZINC000861561864 1049453750 /nfs/dbraw/zinc/45/37/50/1049453750.db2.gz OCFHPVWYDWEZDF-GFCCVEGCSA-N 0 0 317.351 4.109 20 10 DICDRN CC[N@H+](Cc1c[nH]c2ccccc12)Cc1cc(F)cc(F)c1[O-] ZINC001205423510 1049467343 /nfs/dbraw/zinc/46/73/43/1049467343.db2.gz SFUAFBZLDZGWSS-UHFFFAOYSA-N 0 0 316.351 4.174 20 10 DICDRN CC(C)[C@@H]1CN(Cc2cc(F)cc(F)c2O)c2ccccc21 ZINC001181373983 1049468290 /nfs/dbraw/zinc/46/82/90/1049468290.db2.gz VXVNIGFFEWATAY-HNNXBMFYSA-N 0 0 303.352 4.430 20 10 DICDRN CCCC1CCC([N@H+](C)Cc2c(C)cc(OC)cc2O)CC1 ZINC001181410979 1049470555 /nfs/dbraw/zinc/47/05/55/1049470555.db2.gz VSDOEXDBGBKONB-UHFFFAOYSA-N 0 0 305.462 4.500 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(C)c(F)c1 ZINC000118791379 1049477668 /nfs/dbraw/zinc/47/76/68/1049477668.db2.gz DMAPZPNHLPOCQM-UHFFFAOYSA-N 0 0 316.376 4.284 20 10 DICDRN CC[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)c2ccccc2O1 ZINC001205480803 1049480411 /nfs/dbraw/zinc/48/04/11/1049480411.db2.gz LVKXZASVXRXFMF-LLVKDONJSA-N 0 0 321.779 4.362 20 10 DICDRN Cc1ccc2c(c1)O[C@@H](C)CN2C/C=C\c1ccc(N(C)C)cc1 ZINC001205480468 1049481372 /nfs/dbraw/zinc/48/13/72/1049481372.db2.gz AQVRAEIFTJFCCJ-OSJSJHBBSA-N 0 0 322.452 4.362 20 10 DICDRN CC(=O)c1cc(Cl)cc(CN(C)c2ccc(C)cc2F)c1O ZINC001195156587 1049489800 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CCc1cccc(CNc2ccc3c(c2)[C@H](C)CC(=O)N3C)c1O ZINC000862537614 1049501119 /nfs/dbraw/zinc/50/11/19/1049501119.db2.gz ZSDZRNRQZOJZNE-CYBMUJFWSA-N 0 0 324.424 4.037 20 10 DICDRN COc1ccc(N(CC(C)C)C[C@@H]2C[C@H]3CCC[C@H]3O2)cc1 ZINC001195258467 1049502205 /nfs/dbraw/zinc/50/22/05/1049502205.db2.gz OZWNZSKQJIZJRL-AYOQOUSVSA-N 0 0 303.446 4.115 20 10 DICDRN COc1ccc(N(CC(C)C)C[C@@H]2C[C@@H]3CCC[C@@H]3O2)cc1 ZINC001195258469 1049503543 /nfs/dbraw/zinc/50/35/43/1049503543.db2.gz OZWNZSKQJIZJRL-SNRMKQJTSA-N 0 0 303.446 4.115 20 10 DICDRN COc1ccc(N(CC(C)C)C[C@@H]2C[C@@H]3CCC[C@H]3O2)cc1 ZINC001195258470 1049504169 /nfs/dbraw/zinc/50/41/69/1049504169.db2.gz OZWNZSKQJIZJRL-ZYSHUDEJSA-N 0 0 303.446 4.115 20 10 DICDRN O=C(N[C@@H]1C[C@H]1C1CC1)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195278563 1049507475 /nfs/dbraw/zinc/50/74/75/1049507475.db2.gz LDSIVLWHNUIOOO-YLIUKNOZSA-N 0 0 321.380 4.336 20 10 DICDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@H](OC)C1CCC1 ZINC001195321868 1049508639 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CC(C)c1ccc(O[C@H](C)C[NH2+]Cc2cccc(F)c2[O-])cc1 ZINC001205722999 1049542924 /nfs/dbraw/zinc/54/29/24/1049542924.db2.gz ZLRWSKBZISSWFE-CQSZACIVSA-N 0 0 317.404 4.212 20 10 DICDRN Cc1cc(CN2Cc3nc(C)sc3C2)c(C)n1-c1ccccc1 ZINC001137859125 1049547812 /nfs/dbraw/zinc/54/78/12/1049547812.db2.gz JTQBPQGAELQBLK-UHFFFAOYSA-N 0 0 323.465 4.375 20 10 DICDRN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001182053726 1049566878 /nfs/dbraw/zinc/56/68/78/1049566878.db2.gz PUPVHGLSPSGPBK-WWGRRREGSA-N 0 0 317.379 4.437 20 10 DICDRN Nc1ccc(Cc2noc([C@@H]3CC[C@@H](c4ccccc4)C3)n2)cc1 ZINC000863655486 1049584439 /nfs/dbraw/zinc/58/44/39/1049584439.db2.gz FJVZCQULYIPOPW-IAGOWNOFSA-N 0 0 319.408 4.294 20 10 DICDRN C[C@@H](NC(=O)/C=C/C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000773996199 1049585565 /nfs/dbraw/zinc/58/55/65/1049585565.db2.gz YEQUXLFPEZZKES-AAWPKVBNSA-N 0 0 300.446 4.066 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cccc2c1CCC2 ZINC001182196615 1049588122 /nfs/dbraw/zinc/58/81/22/1049588122.db2.gz UWQNKUCJEOBNAD-UHFFFAOYSA-N 0 0 322.235 4.478 20 10 DICDRN C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1ccc(Cl)cc1O ZINC001182272905 1049598645 /nfs/dbraw/zinc/59/86/45/1049598645.db2.gz XWJGEKADCJECLK-GFCCVEGCSA-N 0 0 307.796 4.248 20 10 DICDRN Cc1cccc(CN(C)[C@H](c2ccccc2)C(F)(F)F)c1O ZINC000775676572 1049601271 /nfs/dbraw/zinc/60/12/71/1049601271.db2.gz UELCSBQZIWAJBI-MRXNPFEDSA-N 0 0 309.331 4.436 20 10 DICDRN CCC(C)(C)NC(=S)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000774154989 1049613630 /nfs/dbraw/zinc/61/36/30/1049613630.db2.gz FBXCFNJBYSXKRW-UHFFFAOYSA-N 0 0 321.534 4.026 20 10 DICDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000775686618 1049619731 /nfs/dbraw/zinc/61/97/31/1049619731.db2.gz LBBLWMAIQLUTBT-LBPRGKRZSA-N 0 0 305.780 4.174 20 10 DICDRN COc1nccc2c(NCc3c(O)cccc3Cl)cccc21 ZINC000864014882 1049621955 /nfs/dbraw/zinc/62/19/55/1049621955.db2.gz YVMHLVQVTZXEBY-UHFFFAOYSA-N 0 0 314.772 4.215 20 10 DICDRN CN(C)c1cc(F)cc(NCc2cc(Cl)cc(F)c2O)c1 ZINC000864016821 1049623521 /nfs/dbraw/zinc/62/35/21/1049623521.db2.gz RZVUSSYMATTYTG-UHFFFAOYSA-N 0 0 312.747 4.002 20 10 DICDRN COc1ccc2c(c1)CCCCN2Cc1cccc2c1CCOC2 ZINC000864024487 1049627295 /nfs/dbraw/zinc/62/72/95/1049627295.db2.gz YMPMCBPMTCPRMH-UHFFFAOYSA-N 0 0 323.436 4.111 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCCc2sccc2C1 ZINC000775690354 1049628654 /nfs/dbraw/zinc/62/86/54/1049628654.db2.gz RVYVVNXIUZKVIM-UHFFFAOYSA-N 0 0 311.809 4.195 20 10 DICDRN C[C@@H]([NH2+]CCC(F)(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000774217066 1049631836 /nfs/dbraw/zinc/63/18/36/1049631836.db2.gz IWBHTPQRTTVCKD-ZCFIWIBFSA-N 0 0 302.123 4.302 20 10 DICDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000775691475 1049632430 /nfs/dbraw/zinc/63/24/30/1049632430.db2.gz YCWYPZYJLKUJIX-CYBMUJFWSA-N 0 0 305.780 4.174 20 10 DICDRN CC[NH+](CC)Cc1ccc(NCc2ccc(F)c(F)c2[O-])cc1 ZINC000864032371 1049632986 /nfs/dbraw/zinc/63/29/86/1049632986.db2.gz CKEOOCJTMVGACH-UHFFFAOYSA-N 0 0 320.383 4.124 20 10 DICDRN COc1ccc([N+](=O)[O-])cc1CNc1ccccc1NC(C)C ZINC000864040940 1049634852 /nfs/dbraw/zinc/63/48/52/1049634852.db2.gz HRANENXECONIIF-UHFFFAOYSA-N 0 0 315.373 4.036 20 10 DICDRN CCN(CC)c1ccc(CNc2ccc3cn[nH]c3c2)cc1F ZINC000864043848 1049635611 /nfs/dbraw/zinc/63/56/11/1049635611.db2.gz YMLOUNXPRQJFCJ-UHFFFAOYSA-N 0 0 312.392 4.160 20 10 DICDRN COc1ccc(O)c(CNc2ccc(Cl)cc2SC)c1 ZINC000864041969 1049635884 /nfs/dbraw/zinc/63/58/84/1049635884.db2.gz XXVZUEHUNKZPMC-UHFFFAOYSA-N 0 0 309.818 4.388 20 10 DICDRN O=C(/C=C/c1cccnc1)N(Cc1ccccc1)c1ccccc1 ZINC000864047148 1049637344 /nfs/dbraw/zinc/63/73/44/1049637344.db2.gz XETSEUIVRBRGAT-BUHFOSPRSA-N 0 0 314.388 4.328 20 10 DICDRN CCCn1cc(N[C@H](C)c2cc(Cl)c(Cl)cc2O)cn1 ZINC000774301119 1049644490 /nfs/dbraw/zinc/64/44/90/1049644490.db2.gz HCEVDIYMZJIXPB-SECBINFHSA-N 0 0 314.216 4.479 20 10 DICDRN Cc1nn(C)c(C)c1N[C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774313828 1049647686 /nfs/dbraw/zinc/64/76/86/1049647686.db2.gz KTBLNPHAVUNXPN-ZETCQYMHSA-N 0 0 314.216 4.222 20 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CC(=O)Nc1cc(NCc2cc(Cl)cc(C)c2O)ccc1C ZINC000775749861 1049710031 /nfs/dbraw/zinc/71/00/31/1049710031.db2.gz NPLVEMWFELCLSU-UHFFFAOYSA-N 0 0 318.804 4.233 20 10 DICDRN C[C@@H](NC(=S)Nc1ccc(Cl)cc1)c1ccccc1O ZINC001197346575 1049740696 /nfs/dbraw/zinc/74/06/96/1049740696.db2.gz LUQYHUOZEFMSLC-SNVBAGLBSA-N 0 0 306.818 4.093 20 10 DICDRN [O-]c1c(F)c(F)ccc1C[NH2+]C1(c2ccccc2Cl)CCC1 ZINC001206523426 1049749872 /nfs/dbraw/zinc/74/98/72/1049749872.db2.gz LMQLLILUXXYSQV-UHFFFAOYSA-N 0 0 323.770 4.493 20 10 DICDRN CCOc1ccc(N(C)Cc2cnc3c(cnn3C(C)C)c2)cc1 ZINC000150734507 1049751467 /nfs/dbraw/zinc/75/14/67/1049751467.db2.gz CSNBEXKEHLLFNV-UHFFFAOYSA-N 0 0 324.428 4.047 20 10 DICDRN CCc1ccncc1NCc1ccc(N(C)C)cc1C(F)(F)F ZINC001206553139 1049755937 /nfs/dbraw/zinc/75/59/37/1049755937.db2.gz RNLFBMUXZOCHDL-UHFFFAOYSA-N 0 0 323.362 4.341 20 10 DICDRN Nc1ccc(N(c2ccc(N)cc2)c2ccc3c(c2)OCC3)cc1 ZINC001206701111 1049781397 /nfs/dbraw/zinc/78/13/97/1049781397.db2.gz ZLBABYDBFBODFO-UHFFFAOYSA-N 0 0 317.392 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CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCC[C@@H](CC)C1 ZINC000741093486 1050654198 /nfs/dbraw/zinc/65/41/98/1050654198.db2.gz ODULZZBTBIXWEE-WBVHZDCISA-N 0 0 318.461 4.283 20 10 DICDRN C[C@@H]1C[C@@H](O)CN1C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000788278449 1050664002 /nfs/dbraw/zinc/66/40/02/1050664002.db2.gz KJCMWWBOYOKGBT-CXAGYDPISA-N 0 0 324.384 4.089 20 10 DICDRN C[C@H]1C[C@@H](O)CN1C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000788278452 1050665460 /nfs/dbraw/zinc/66/54/60/1050665460.db2.gz KJCMWWBOYOKGBT-SUMWQHHRSA-N 0 0 324.384 4.089 20 10 DICDRN CS[C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000227377467 1050666440 /nfs/dbraw/zinc/66/64/40/1050666440.db2.gz WPWJPMHFUXGHGU-RYUDHWBXSA-N 0 0 320.285 4.463 20 10 DICDRN COc1cccc([C@H](C)Nc2ccc(C)c(OC)c2C)c1O ZINC000846157827 1050674884 /nfs/dbraw/zinc/67/48/84/1050674884.db2.gz GKWCFGKCNXPDGB-ZDUSSCGKSA-N 0 0 301.386 4.199 20 10 DICDRN COc1cccc([C@@H](C)Nc2ccc(N3CCCC3)cc2)c1O ZINC000846157520 1050675037 /nfs/dbraw/zinc/67/50/37/1050675037.db2.gz 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/nfs/dbraw/zinc/67/83/46/1050678346.db2.gz DQPWRBDAMJLOMA-NSHDSACASA-N 0 0 319.426 4.304 20 10 DICDRN COc1cccc([C@H](C)Nc2cc(F)c(OC)cc2C)c1O ZINC000846163344 1050678451 /nfs/dbraw/zinc/67/84/51/1050678451.db2.gz JENQGPPHEXYATL-NSHDSACASA-N 0 0 305.349 4.030 20 10 DICDRN COc1cc(Br)cc(NCc2cc(C)ccc2O)c1 ZINC000169017862 1050678563 /nfs/dbraw/zinc/67/85/63/1050678563.db2.gz IJQNRGZWZJAKLY-UHFFFAOYSA-N 0 0 322.202 4.084 20 10 DICDRN COc1cccc([C@@H](C)Nc2ccc3c(c2)CC(C)(C)O3)c1O ZINC000846164862 1050678943 /nfs/dbraw/zinc/67/89/43/1050678943.db2.gz YOGFVLXZKKQNGI-GFCCVEGCSA-N 0 0 313.397 4.287 20 10 DICDRN C[C@H]([NH2+]CC[C@@]1(C)C[C@]1(F)Cl)c1ccc(Cl)cc1[O-] ZINC000846186593 1050690850 /nfs/dbraw/zinc/69/08/50/1050690850.db2.gz YHJKWDHXCNKPLC-QCZZGDTMSA-N 0 0 306.208 4.401 20 10 DICDRN CC(C)COCCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788505012 1050695310 /nfs/dbraw/zinc/69/53/10/1050695310.db2.gz IMSWDNJTIOXPPC-LBPRGKRZSA-N 0 0 319.367 4.124 20 10 DICDRN CC[C@@H](Nc1ccc2c(c1)CCCO2)c1ccc(F)cc1O ZINC000796916420 1050705451 /nfs/dbraw/zinc/70/54/51/1050705451.db2.gz HBEOZKVMGWAMRC-MRXNPFEDSA-N 0 0 301.361 4.420 20 10 DICDRN C[C@H]([NH2+]CCOC1CCCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788569488 1050708996 /nfs/dbraw/zinc/70/89/96/1050708996.db2.gz GGJPOXGCVPOSLY-NSHDSACASA-N 0 0 317.351 4.021 20 10 DICDRN C[C@H]1CCC[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)C1 ZINC000741678471 1050729032 /nfs/dbraw/zinc/72/90/32/1050729032.db2.gz RVWPRXKXEQIPSZ-FUHWJXTLSA-N 0 0 314.473 4.119 20 10 DICDRN Cc1cc(C)c([C@@H](C)Nc2cncc(Br)c2)c(O)c1 ZINC000788712646 1050732495 /nfs/dbraw/zinc/73/24/95/1050732495.db2.gz RGQMCEVNVLFGQD-LLVKDONJSA-N 0 0 321.218 4.340 20 10 DICDRN C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1cccc(C(F)(F)F)c1[O-] ZINC000788763454 1050740661 /nfs/dbraw/zinc/74/06/61/1050740661.db2.gz IKBLUBQUKQYDIC-QWRGUYRKSA-N 0 0 317.351 4.019 20 10 DICDRN C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1cccc(C(F)(F)F)c1[O-] ZINC000788763453 1050740893 /nfs/dbraw/zinc/74/08/93/1050740893.db2.gz IKBLUBQUKQYDIC-MNOVXSKESA-N 0 0 317.351 4.019 20 10 DICDRN C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1cccc(C(F)(F)F)c1[O-] ZINC000788763455 1050741004 /nfs/dbraw/zinc/74/10/04/1050741004.db2.gz IKBLUBQUKQYDIC-WDEREUQCSA-N 0 0 317.351 4.019 20 10 DICDRN COc1ccc(N(CCCOC(C)C)Cc2ccco2)cc1F ZINC000741796465 1050743446 /nfs/dbraw/zinc/74/34/46/1050743446.db2.gz WBRQLCVEBPIUBU-UHFFFAOYSA-N 0 0 321.392 4.249 20 10 DICDRN COc1cc(Cl)cc(CN2CCc3sccc3[C@@H]2C)c1O ZINC000761182487 1050744205 /nfs/dbraw/zinc/74/42/05/1050744205.db2.gz FYAJVCKGZCYTDA-JTQLQIEISA-N 0 0 323.845 4.235 20 10 DICDRN C[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000788804127 1050748571 /nfs/dbraw/zinc/74/85/71/1050748571.db2.gz UQHYXEDUHBURAF-VHSXEESVSA-N 0 0 323.305 4.497 20 10 DICDRN CCSCCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788821759 1050756873 /nfs/dbraw/zinc/75/68/73/1050756873.db2.gz GWZBIJKEMVUQKC-SNVBAGLBSA-N 0 0 307.381 4.205 20 10 DICDRN Cc1cc(O)c(CNc2cc(-n3cccn3)ccc2C)cc1C ZINC000788973784 1050769486 /nfs/dbraw/zinc/76/94/86/1050769486.db2.gz WNPSEWCOPDBHSW-UHFFFAOYSA-N 0 0 307.397 4.115 20 10 DICDRN COc1ccc(C(=O)Nc2cccc(N3CCCCC3)c2)c(C)c1 ZINC000741910943 1050771820 /nfs/dbraw/zinc/77/18/20/1050771820.db2.gz FKHYRBHALUHNFC-UHFFFAOYSA-N 0 0 324.424 4.246 20 10 DICDRN CC[C@@H](CC(C)C)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC001144977107 1050784942 /nfs/dbraw/zinc/78/49/42/1050784942.db2.gz AYAYGHOTIHLFBE-INIZCTEOSA-N 0 0 322.468 4.360 20 10 DICDRN Cc1ncc(/C=C/C(=O)N2CCCCCc3ccccc32)s1 ZINC000742011127 1050793853 /nfs/dbraw/zinc/79/38/53/1050793853.db2.gz PIQYCTODLFICQP-ZHACJKMWSA-N 0 0 312.438 4.224 20 10 DICDRN Cc1cc(C)c(CNc2nnc(Cl)c3ccsc32)c(O)c1 ZINC001160807794 1050805351 /nfs/dbraw/zinc/80/53/51/1050805351.db2.gz DTDHPAAOUJQALZ-UHFFFAOYSA-N 0 0 319.817 4.279 20 10 DICDRN Cc1cc(C(=O)N(C)C2CCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000742129760 1050807240 /nfs/dbraw/zinc/80/72/40/1050807240.db2.gz DIMHKWHOLRHUKS-UHFFFAOYSA-N 0 0 316.832 4.372 20 10 DICDRN COc1ccc(N(Cc2ccco2)C[C@@H]2CC[C@H](C)O2)cc1F ZINC000789346572 1050813517 /nfs/dbraw/zinc/81/35/17/1050813517.db2.gz DOGAUXWBZQVALL-BBRMVZONSA-N 0 0 319.376 4.001 20 10 DICDRN COc1ccc(N(Cc2ccco2)C[C@H]2CC[C@H](C)O2)cc1F ZINC000789346862 1050814979 /nfs/dbraw/zinc/81/49/79/1050814979.db2.gz DOGAUXWBZQVALL-XJKSGUPXSA-N 0 0 319.376 4.001 20 10 DICDRN Cc1cc(C(=O)N[C@H]2C=CCC2)c(C)n1-c1ccc(Cl)cc1 ZINC001146397461 1050821359 /nfs/dbraw/zinc/82/13/59/1050821359.db2.gz XNQGDELDHRTLNQ-HNNXBMFYSA-N 0 0 314.816 4.196 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCC(C)(C)F ZINC001146466227 1050824206 /nfs/dbraw/zinc/82/42/06/1050824206.db2.gz RNMCEOQWVULIDD-UHFFFAOYSA-N 0 0 316.420 4.271 20 10 DICDRN CN(C(=O)/C=C/c1cnc(C(C)(C)C)s1)c1ccccc1 ZINC000742464484 1050860713 /nfs/dbraw/zinc/86/07/13/1050860713.db2.gz ITHKJKXKTUDHHO-ZHACJKMWSA-N 0 0 300.427 4.117 20 10 DICDRN CN(C)c1ccc(CN(C)C(=O)CCCC2CCCC2)cc1 ZINC000742494840 1050865422 /nfs/dbraw/zinc/86/54/22/1050865422.db2.gz 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/nfs/dbraw/zinc/95/97/44/1050959744.db2.gz SUKWEOIXDAWPKO-AWEZNQCLSA-N 0 0 317.454 4.045 20 10 DICDRN CO[C@H]1CCOc2c(NCc3c(O)cccc3Cl)cccc21 ZINC000790487179 1050961899 /nfs/dbraw/zinc/96/18/99/1050961899.db2.gz VVMQLMLNUYAMEI-INIZCTEOSA-N 0 0 319.788 4.128 20 10 DICDRN C[C@H]([NH2+]C[C@@H]1CCSC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000790498496 1050965687 /nfs/dbraw/zinc/96/56/87/1050965687.db2.gz ZGOBRKKZDGUQPB-IUCAKERBSA-N 0 0 306.258 4.103 20 10 DICDRN Cc1cccc([C@H](C)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000772995360 1050978169 /nfs/dbraw/zinc/97/81/69/1050978169.db2.gz APZXNQICHNOLON-HOTGVXAUSA-N 0 0 310.441 4.042 20 10 DICDRN CCOc1ccc(CNc2ccc(C)c(OCC)c2)c(O)c1 ZINC000790623196 1050983691 /nfs/dbraw/zinc/98/36/91/1050983691.db2.gz PMINFSFDEAFSPJ-UHFFFAOYSA-N 0 0 301.386 4.110 20 10 DICDRN C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000790712006 1050988736 /nfs/dbraw/zinc/98/87/36/1050988736.db2.gz YNCYNXQKESNKAH-GFCCVEGCSA-N 0 0 312.369 4.029 20 10 DICDRN CC[C@@H](C)n1ncc(N[C@@H](C)c2cc(OC)ccc2O)c1C ZINC000790740184 1050990636 /nfs/dbraw/zinc/99/06/36/1050990636.db2.gz GASWOCQNAXJXES-NEPJUHHUSA-N 0 0 303.406 4.050 20 10 DICDRN CCCn1ccc2ccc(NC(=O)NCc3ccccc3O)cc21 ZINC000743178823 1050995561 /nfs/dbraw/zinc/99/55/61/1050995561.db2.gz IHMOHECVGKVATD-UHFFFAOYSA-N 0 0 323.396 4.079 20 10 DICDRN COc1cc(NCc2cc(F)ccc2O)ccc1C(F)(F)F ZINC000790933706 1051005877 /nfs/dbraw/zinc/00/58/77/1051005877.db2.gz XGWIESCPWQPUEC-UHFFFAOYSA-N 0 0 315.266 4.171 20 10 DICDRN CC(C)[C@@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000772997298 1051006883 /nfs/dbraw/zinc/00/68/83/1051006883.db2.gz FYCNGHBSJYULAQ-OXQOHEQNSA-N 0 0 324.468 4.370 20 10 DICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000790955525 1051007492 /nfs/dbraw/zinc/00/74/92/1051007492.db2.gz SAOVTHAMQKLZTP-UHFFFAOYSA-N 0 0 318.150 4.267 20 10 DICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCSc1ccccc1 ZINC000790947083 1051007807 /nfs/dbraw/zinc/00/78/07/1051007807.db2.gz HVBWIUKAVRBWIY-UHFFFAOYSA-N 0 0 311.809 4.067 20 10 DICDRN COc1ccccc1[C@@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790948130 1051008582 /nfs/dbraw/zinc/00/85/82/1051008582.db2.gz XRBKQJBKRJOFSH-SNVBAGLBSA-N 0 0 309.768 4.044 20 10 DICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CSCc2ccccc21 ZINC000790961948 1051010024 /nfs/dbraw/zinc/01/00/24/1051010024.db2.gz FPOUOKYKKIMHGW-AWEZNQCLSA-N 0 0 323.820 4.262 20 10 DICDRN CC(C)([NH2+]Cc1c([O-])ccc(Cl)c1F)c1cccc(F)c1 ZINC000790966752 1051011266 /nfs/dbraw/zinc/01/12/66/1051011266.db2.gz HOONTFTVOAIXNN-UHFFFAOYSA-N 0 0 311.759 4.349 20 10 DICDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@@H]1CC(C)(C)CO1 ZINC001171354332 1051011923 /nfs/dbraw/zinc/01/19/23/1051011923.db2.gz QRWSSEJDVIEIDV-AEFFLSMTSA-N 0 0 317.473 4.145 20 10 DICDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1ccc(F)cn1 ZINC001171355382 1051011957 /nfs/dbraw/zinc/01/19/57/1051011957.db2.gz YXSWURRITIJDOT-HNNXBMFYSA-N 0 0 314.404 4.064 20 10 DICDRN CCCCCC[C@@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000743337063 1051014248 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ZINC000773010321 1051021828 /nfs/dbraw/zinc/02/18/28/1051021828.db2.gz OCIYNYDYEMTURF-CQSZACIVSA-N 0 0 302.462 4.146 20 10 DICDRN Cc1oc2ccccc2c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773018772 1051022245 /nfs/dbraw/zinc/02/22/45/1051022245.db2.gz MXPAQNDEWUNYKI-CYBMUJFWSA-N 0 0 322.408 4.298 20 10 DICDRN CC[C@H](Cc1ccccc1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773017497 1051022616 /nfs/dbraw/zinc/02/26/16/1051022616.db2.gz GWVNPOUAFNBTLH-SJLPKXTDSA-N 0 0 324.468 4.199 20 10 DICDRN C[C@H](NC(=O)[C@@H]1CCCC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000773018451 1051023573 /nfs/dbraw/zinc/02/35/73/1051023573.db2.gz VWTMTVCGGVNMFF-GOEBONIOSA-N 0 0 302.462 4.146 20 10 DICDRN C[C@@H](NC(=O)C[C@H](C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000773016936 1051024799 /nfs/dbraw/zinc/02/47/99/1051024799.db2.gz DWKVZWOWECHSKB-JKSUJKDBSA-N 0 0 310.441 4.124 20 10 DICDRN CC(C)CC1(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000773019506 1051024914 /nfs/dbraw/zinc/02/49/14/1051024914.db2.gz YAYFZZHMNUUIPR-OAHLLOKOSA-N 0 0 302.462 4.146 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C[C@H](NC(=O)N(C)[C@@H]1CCC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000793165820 1051251665 /nfs/dbraw/zinc/25/16/65/1051251665.db2.gz CQAPZRIYMUEYIW-WMLDXEAASA-N 0 0 317.477 4.034 20 10 DICDRN O=[N+]([O-])c1ccc(Cl)c(Nc2cccc(O)c2O)c1Cl ZINC001215580513 1051256549 /nfs/dbraw/zinc/25/65/49/1051256549.db2.gz IVZIQWSSNXAYQB-UHFFFAOYSA-N 0 0 315.112 4.056 20 10 DICDRN COc1cc(Cl)cc(CN(C)c2ccc3cc[nH]c3c2)c1O ZINC000793240704 1051269319 /nfs/dbraw/zinc/26/93/19/1051269319.db2.gz KIDFZONCESTMSR-UHFFFAOYSA-N 0 0 316.788 4.172 20 10 DICDRN CC[C@@H](C)[C@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000745771398 1051288160 /nfs/dbraw/zinc/28/81/60/1051288160.db2.gz ABBUJHBAQXHODU-CVEARBPZSA-N 0 0 319.493 4.107 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C[C@H](C)CC ZINC000745887694 1051293621 /nfs/dbraw/zinc/29/36/21/1051293621.db2.gz DDQXUDDDKOASAP-CABCVRRESA-N 0 0 306.450 4.139 20 10 DICDRN CCN(Cc1cc(=O)oc2cc(C)ccc12)c1ccc(OC)cc1 ZINC000746108758 1051323600 /nfs/dbraw/zinc/32/36/00/1051323600.db2.gz ATJIFNJTRLOGTI-UHFFFAOYSA-N 0 0 323.392 4.137 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCCC[C@@H]1CC ZINC000793658329 1051332740 /nfs/dbraw/zinc/33/27/40/1051332740.db2.gz RXXMMDTUOZRBAE-RDJZCZTQSA-N 0 0 303.446 4.347 20 10 DICDRN COc1ccc(N(Cc2noc(C(C)(C)C)n2)CC(C)C)cc1 ZINC000746169880 1051334327 /nfs/dbraw/zinc/33/43/27/1051334327.db2.gz CZKWWVYZNLSJBO-UHFFFAOYSA-N 0 0 317.433 4.038 20 10 DICDRN CCc1nc(CN(CC(C)C)c2ccc(OC)cc2)cs1 ZINC000746169886 1051334404 /nfs/dbraw/zinc/33/44/04/1051334404.db2.gz DHHLQCOEWPOSOD-UHFFFAOYSA-N 0 0 304.459 4.377 20 10 DICDRN COc1ccc(N(CC(C)C)C[C@H](O)c2ccccc2F)cc1 ZINC000746170872 1051334671 /nfs/dbraw/zinc/33/46/71/1051334671.db2.gz XOVWMTGUJXRCBB-IBGZPJMESA-N 0 0 317.404 4.030 20 10 DICDRN C[C@@H]([NH2+]C1CCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000381466962 1051373102 /nfs/dbraw/zinc/37/31/02/1051373102.db2.gz MYSTUZPSWOCLMJ-SSDOTTSWSA-N 0 0 304.615 4.011 20 10 DICDRN CC[C@@H]1CN(C(=O)C2=CC(=O)CS2)CC[C@@H]1c1ccccc1 ZINC000746410213 1051403418 /nfs/dbraw/zinc/40/34/18/1051403418.db2.gz VLUUUXQHHUHHGM-CJNGLKHVSA-N 0 0 315.438 4.110 20 10 DICDRN CC[C@H]1CN(C(=O)C2=CC(=O)CS2)CC[C@@H]1c1ccccc1 ZINC000746410211 1051403612 /nfs/dbraw/zinc/40/36/12/1051403612.db2.gz VLUUUXQHHUHHGM-BBRMVZONSA-N 0 0 315.438 4.110 20 10 DICDRN Cc1cccc(Cl)c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000829817005 1051404030 /nfs/dbraw/zinc/40/40/30/1051404030.db2.gz JVIQDUFLFYBLBX-ZDUSSCGKSA-N 0 0 316.832 4.205 20 10 DICDRN Oc1cccc(Cl)c1C[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000749300136 1051407923 /nfs/dbraw/zinc/40/79/23/1051407923.db2.gz WVIKTIJYAIJASE-KRWDZBQOSA-N 0 0 319.857 4.166 20 10 DICDRN Cc1cc(CN2CCn3c(Cl)ccc3[C@@H]2C)ccc1N(C)C ZINC001168872905 1051460537 /nfs/dbraw/zinc/46/05/37/1051460537.db2.gz KSXCTXGEHVYADL-AWEZNQCLSA-N 0 0 317.864 4.093 20 10 DICDRN C[C@H](Nc1ccnc(C(F)(F)F)c1)c1ccc(N(C)C)cc1 ZINC000804621912 1051496235 /nfs/dbraw/zinc/49/62/35/1051496235.db2.gz KPICITPDYFHVRO-NSHDSACASA-N 0 0 309.335 4.340 20 10 DICDRN Cc1cccc(-c2noc(-c3nnsc3C(C)C)n2)c1Cl ZINC001212687327 1051531537 /nfs/dbraw/zinc/53/15/37/1051531537.db2.gz NGDBHRFCIOPNCH-UHFFFAOYSA-N 0 0 320.805 4.340 20 10 DICDRN Cc1cc(Cl)cc(-c2noc(-c3nnsc3C(C)C)n2)c1 ZINC001212687296 1051532430 /nfs/dbraw/zinc/53/24/30/1051532430.db2.gz LZTYJXXQFMYCHB-UHFFFAOYSA-N 0 0 320.805 4.340 20 10 DICDRN CCC(CC)[C@H](C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001129819685 1051533540 /nfs/dbraw/zinc/53/35/40/1051533540.db2.gz KTNSNFMMWOPBDL-CVEARBPZSA-N 0 0 318.505 4.181 20 10 DICDRN CCC(CC)[C@H](C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001129819686 1051533771 /nfs/dbraw/zinc/53/37/71/1051533771.db2.gz KTNSNFMMWOPBDL-HOTGVXAUSA-N 0 0 318.505 4.181 20 10 DICDRN COc1cc(N(c2ccccc2)c2ccc(N)cc2)ccc1CO ZINC001216118493 1051586015 /nfs/dbraw/zinc/58/60/15/1051586015.db2.gz WYIWJAIFHXXURI-UHFFFAOYSA-N 0 0 320.392 4.240 20 10 DICDRN FC(F)(F)c1ccc(COc2ccc(N3CCCC3)cc2)nc1 ZINC000766712490 1051618198 /nfs/dbraw/zinc/61/81/98/1051618198.db2.gz OMWJICIIJWWZCL-UHFFFAOYSA-N 0 0 322.330 4.280 20 10 DICDRN CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC001169542269 1051639261 /nfs/dbraw/zinc/63/92/61/1051639261.db2.gz YTQQEAUUHOQHGI-WBMJQRKESA-N 0 0 309.837 4.307 20 10 DICDRN Cc1cc(Cl)ncc1Nc1ccccc1C(=O)c1ccncc1 ZINC001216282021 1051672198 /nfs/dbraw/zinc/67/21/98/1051672198.db2.gz HDUPDOLNWSLIPW-UHFFFAOYSA-N 0 0 323.783 4.413 20 10 DICDRN COc1c(O)cccc1N(c1ccc(N)cc1)c1ccc(N)cc1 ZINC001216350857 1051714184 /nfs/dbraw/zinc/71/41/84/1051714184.db2.gz DMGNJWKNYYLCKZ-UHFFFAOYSA-N 0 0 321.380 4.035 20 10 DICDRN COc1c(O)cccc1Nc1ccccc1C(=O)c1ccccc1 ZINC001216350222 1051714720 /nfs/dbraw/zinc/71/47/20/1051714720.db2.gz MWUMVHRXYJUCFR-UHFFFAOYSA-N 0 0 319.360 4.375 20 10 DICDRN O=C(NCCc1cccc(-c2ccccc2)c1)C1=CC(=O)CS1 ZINC000761591979 1051732449 /nfs/dbraw/zinc/73/24/49/1051732449.db2.gz RKUPMDLHOWWLDQ-UHFFFAOYSA-N 0 0 323.417 4.093 20 10 DICDRN CC[C@@H]([NH2+]CCOC1CCCCC1)c1cccc(Cl)c1[O-] ZINC000806133697 1051732633 /nfs/dbraw/zinc/73/26/33/1051732633.db2.gz CCOZYOGSMDJLIH-MRXNPFEDSA-N 0 0 311.853 4.436 20 10 DICDRN CC[C@@H]([NH2+]CCc1cccc(OC)c1)c1cccc(Cl)c1[O-] ZINC000806131868 1051733029 /nfs/dbraw/zinc/73/30/29/1051733029.db2.gz OCNFRROFMINWES-QGZVFWFLSA-N 0 0 319.832 4.338 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H](OC)c1ccccc1)c1cccc(Cl)c1[O-] ZINC000806133620 1051734613 /nfs/dbraw/zinc/73/46/13/1051734613.db2.gz OWRYAQWTRYHRDP-IAGOWNOFSA-N 0 0 319.832 4.474 20 10 DICDRN CC[C@H]([NH2+]CC(O)(CC)CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806135147 1051735179 /nfs/dbraw/zinc/73/51/79/1051735179.db2.gz GXPVCAATZMYSQH-ZDUSSCGKSA-N 0 0 320.260 4.291 20 10 DICDRN CC[C@@H]([NH2+]CCOCC1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806136860 1051736615 /nfs/dbraw/zinc/73/66/15/1051736615.db2.gz DBJJUSLLVWOTFB-CQSZACIVSA-N 0 0 318.244 4.166 20 10 DICDRN CC[C@H]([NH2+][C@H]1COc2ccccc2C1)c1cccc(Cl)c1[O-] ZINC000806136573 1051736803 /nfs/dbraw/zinc/73/68/03/1051736803.db2.gz ZOTCYMDZFQLLDY-CJNGLKHVSA-N 0 0 317.816 4.090 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)c1cccc(Cl)c1[O-] ZINC000806137264 1051738119 /nfs/dbraw/zinc/73/81/19/1051738119.db2.gz MINFUZFUQJSLRJ-HZPDHXFCSA-N 0 0 311.853 4.028 20 10 DICDRN CC[C@H]([NH2+]C[C@H]1Cc2ccccc21)c1cccc(Cl)c1[O-] ZINC000806137227 1051738138 /nfs/dbraw/zinc/73/81/38/1051738138.db2.gz HWLVIRNMXSLTLX-DYVFJYSZSA-N 0 0 301.817 4.426 20 10 DICDRN CC[C@@H]([NH2+]C[C@H]1Cc2ccccc21)c1cccc(Cl)c1[O-] ZINC000806137226 1051738298 /nfs/dbraw/zinc/73/82/98/1051738298.db2.gz HWLVIRNMXSLTLX-CXAGYDPISA-N 0 0 301.817 4.426 20 10 DICDRN CC[C@H]([NH2+][C@H](C)c1c(C)noc1C)c1cccc(Cl)c1[O-] ZINC000806139035 1051739086 /nfs/dbraw/zinc/73/90/86/1051739086.db2.gz HOHACWMMQPCDTJ-OTYXRUKQSA-N 0 0 308.809 4.452 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc(OC)cc1)c1cccc(Cl)c1[O-] ZINC000806128502 1051743391 /nfs/dbraw/zinc/74/33/91/1051743391.db2.gz KQAFVJRZSDKDSU-INIZCTEOSA-N 0 0 305.805 4.295 20 10 DICDRN CC[C@@H]([NH2+]CCOc1ccccc1F)c1cccc(Cl)c1[O-] ZINC000806128357 1051743790 /nfs/dbraw/zinc/74/37/90/1051743790.db2.gz JQLJFXONFKLOMR-OAHLLOKOSA-N 0 0 323.795 4.304 20 10 DICDRN CC[C@H]([NH2+]CC(C)(C)N(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806129307 1051744760 /nfs/dbraw/zinc/74/47/60/1051744760.db2.gz VCJAWCSJPWZTNM-ZDUSSCGKSA-N 0 0 319.276 4.080 20 10 DICDRN CC[C@@H]([NH2+]CC1(O)CCCCCC1)c1cccc(Cl)c1[O-] ZINC000806140269 1051748510 /nfs/dbraw/zinc/74/85/10/1051748510.db2.gz IIHAPLQMQRPGKR-OAHLLOKOSA-N 0 0 311.853 4.172 20 10 DICDRN CC[C@H]([NH2+]C1CCC(O)(CC)CC1)c1cccc(Cl)c1[O-] ZINC000806142828 1051749959 /nfs/dbraw/zinc/74/99/59/1051749959.db2.gz GEXVMVUPMZNHGM-VXKCQOAXSA-N 0 0 311.853 4.170 20 10 DICDRN CC[C@@H]([NH2+]C[C@](C)(O)CCC(C)C)c1cccc(Cl)c1[O-] ZINC000806141440 1051750613 /nfs/dbraw/zinc/75/06/13/1051750613.db2.gz SSWXYDZQKUZHBD-NVXWUHKLSA-N 0 0 313.869 4.274 20 10 DICDRN CC[C@@H]([NH2+][C@H](CO)c1ccccc1C)c1cccc(Cl)c1[O-] ZINC000806141311 1051750772 /nfs/dbraw/zinc/75/07/72/1051750772.db2.gz IHGXZSSBWDRRHI-IAGOWNOFSA-N 0 0 319.832 4.128 20 10 DICDRN CC[C@H](CCO)C[NH2+][C@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806144843 1051751726 /nfs/dbraw/zinc/75/17/26/1051751726.db2.gz VZUVJVORBGEPJS-QMTHXVAHSA-N 0 0 320.260 4.148 20 10 DICDRN CC[C@H]([NH2+][C@H]1CCO[C@H](C(C)C)C1)c1cccc(Cl)c1[O-] ZINC000806144312 1051751955 /nfs/dbraw/zinc/75/19/55/1051751955.db2.gz UWVVAZORNYCNDX-RCBQFDQVSA-N 0 0 311.853 4.290 20 10 DICDRN CC[C@@H]([NH2+]CCC[C@@H](O)CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806147044 1051753101 /nfs/dbraw/zinc/75/31/01/1051753101.db2.gz FOMGCAUIZURHGI-SMDDNHRTSA-N 0 0 320.260 4.291 20 10 DICDRN CC[C@@H]([NH2+]CC1(CO)CCCCC1)c1cccc(Cl)c1[O-] ZINC000806147501 1051754794 /nfs/dbraw/zinc/75/47/94/1051754794.db2.gz JYRCBODPSUGDNI-OAHLLOKOSA-N 0 0 311.853 4.029 20 10 DICDRN CC[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806149542 1051755103 /nfs/dbraw/zinc/75/51/03/1051755103.db2.gz VLCAYEUGZFWOSH-MJVIPROJSA-N 0 0 318.244 4.043 20 10 DICDRN CC[C@H]([NH2+][C@H]1CCSC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806147868 1051755770 /nfs/dbraw/zinc/75/57/70/1051755770.db2.gz NUEZLQSJLHWABT-CABZTGNLSA-N 0 0 306.258 4.245 20 10 DICDRN O=C(c1ccncc1)c1ccccc1Nc1cccnc1C1CC1 ZINC001212741645 1051758279 /nfs/dbraw/zinc/75/82/79/1051758279.db2.gz LPDWOTRKXMZYCB-UHFFFAOYSA-N 0 0 315.376 4.329 20 10 DICDRN CC[C@@H]([NH2+]CC[C@@H]1CCOC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806157079 1051759010 /nfs/dbraw/zinc/75/90/10/1051759010.db2.gz BDXPEIROKXZDKW-QMTHXVAHSA-N 0 0 318.244 4.166 20 10 DICDRN CC[C@H]([NH2+]CCOC(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806158640 1051760734 /nfs/dbraw/zinc/76/07/34/1051760734.db2.gz NRYZTEZXCAENAI-ZDUSSCGKSA-N 0 0 306.233 4.165 20 10 DICDRN CC[C@@H]([NH2+][C@@H](CCOC)c1ccco1)c1cccc(Cl)c1[O-] ZINC000806157328 1051761000 /nfs/dbraw/zinc/76/10/00/1051761000.db2.gz DZHFDTWQOSZLLZ-CABCVRRESA-N 0 0 323.820 4.457 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)[C@H](C)OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806161278 1051762298 /nfs/dbraw/zinc/76/22/98/1051762298.db2.gz JCYZWZQPHUDHHK-MWODSPESSA-N 0 0 306.233 4.163 20 10 DICDRN CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cc(Cl)cc(Cl)c1[O-] ZINC000806161508 1051762817 /nfs/dbraw/zinc/76/28/17/1051762817.db2.gz QPRNRQIYVRKUJV-MGPQQGTHSA-N 0 0 318.244 4.043 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCC1(C)C)c1cc(Br)cc(F)c1[O-] ZINC000806168774 1051767706 /nfs/dbraw/zinc/76/77/06/1051767706.db2.gz AATBKEHYTKQTKO-QPUJVOFHSA-N 0 0 316.214 4.133 20 10 DICDRN FC(F)(F)c1cc(NCc2ccc(N3CCCC3)cc2)ccn1 ZINC000804350320 1051781335 /nfs/dbraw/zinc/78/13/35/1051781335.db2.gz OFRKMGDDLIBOLP-UHFFFAOYSA-N 0 0 321.346 4.313 20 10 DICDRN O=C(OCCCF)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC000767268298 1051783629 /nfs/dbraw/zinc/78/36/29/1051783629.db2.gz ILTUVADOKUMZML-UHFFFAOYSA-N 0 0 302.305 4.324 20 10 DICDRN Nc1ccc(OC(=O)c2ccc(Nc3ccccc3)cc2)cc1 ZINC001173794357 1051801927 /nfs/dbraw/zinc/80/19/27/1051801927.db2.gz LEKOJTRJEVEDOF-UHFFFAOYSA-N 0 0 304.349 4.232 20 10 DICDRN Cc1nc(CCN2CCCc3cc(OC(F)F)ccc32)cs1 ZINC000767422590 1051804679 /nfs/dbraw/zinc/80/46/79/1051804679.db2.gz SIVSGNDCTZHSSU-UHFFFAOYSA-N 0 0 324.396 4.048 20 10 DICDRN CCN1C(=O)/C(=C/c2cnc(C3CCCC3)s2)SC1=S ZINC000767703390 1051834659 /nfs/dbraw/zinc/83/46/59/1051834659.db2.gz DDTWKRHDHWKXBW-XFFZJAGNSA-N 0 0 324.496 4.022 20 10 DICDRN C[C@@H](N[C@@H](C)C(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000806661125 1051835955 /nfs/dbraw/zinc/83/59/55/1051835955.db2.gz XYJRQIBKLWIMOE-NEPJUHHUSA-N 0 0 318.358 4.417 20 10 DICDRN COc1ccc(N(c2ccc(N)cc2)c2ccc(N)cc2)cc1F ZINC001173865233 1051837510 /nfs/dbraw/zinc/83/75/10/1051837510.db2.gz STNZLBDGXPGNHQ-UHFFFAOYSA-N 0 0 323.371 4.469 20 10 DICDRN CCN(C)c1ccc([C@@H](C)N[C@H](C2CC2)C(F)(F)F)cc1 ZINC000806662225 1051844257 /nfs/dbraw/zinc/84/42/57/1051844257.db2.gz KQTGOIYDXYUPFE-IAQYHMDHSA-N 0 0 300.368 4.134 20 10 DICDRN CC(=O)c1ccc(Nc2ccccc2C(=O)c2ccncc2)cc1 ZINC001173898246 1051862153 /nfs/dbraw/zinc/86/21/53/1051862153.db2.gz JHDFZYHEGNLNJO-UHFFFAOYSA-N 0 0 316.360 4.259 20 10 DICDRN C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000798182311 1051879342 /nfs/dbraw/zinc/87/93/42/1051879342.db2.gz RFXMCDDSXXHODS-WRWGMCAJSA-N 0 0 317.351 4.018 20 10 DICDRN Cc1ccccc1C[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000768159955 1051890342 /nfs/dbraw/zinc/89/03/42/1051890342.db2.gz JITFWRHGQAGOEZ-UHFFFAOYSA-N 0 0 320.230 4.095 20 10 DICDRN COc1ccc(F)cc1Nc1ccccc1C(=O)c1ccncc1 ZINC001173957230 1051893396 /nfs/dbraw/zinc/89/33/96/1051893396.db2.gz DDMGJRHNUKDMSA-UHFFFAOYSA-N 0 0 322.339 4.204 20 10 DICDRN C[C@H](c1ccccc1)[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000768199462 1051894205 /nfs/dbraw/zinc/89/42/05/1051894205.db2.gz WAPFLHSJWBBPKQ-GFCCVEGCSA-N 0 0 320.230 4.348 20 10 DICDRN CCN(CC)c1ccc(CN(C)Cc2coc(C3CC3)n2)cc1 ZINC000768207333 1051896452 /nfs/dbraw/zinc/89/64/52/1051896452.db2.gz DLHDUODXKXQLAM-UHFFFAOYSA-N 0 0 313.445 4.030 20 10 DICDRN Cc1cc(F)ccc1-n1c(N)c(/N=N/c2ccccc2)ccc1=N ZINC001173966228 1051898871 /nfs/dbraw/zinc/89/88/71/1051898871.db2.gz YVOAKGSZHTYXCC-UKLSTIIHSA-N 0 0 321.359 4.402 20 10 DICDRN CC[C@H]([NH2+]CC(CC)(CC)CCO)c1cccc(Cl)c1[O-] ZINC000806143604 1051908877 /nfs/dbraw/zinc/90/88/77/1051908877.db2.gz VXGRSQFUUXVEIR-HNNXBMFYSA-N 0 0 313.869 4.275 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000768362034 1051923195 /nfs/dbraw/zinc/92/31/95/1051923195.db2.gz YLAPBRAEYNOUSQ-HNNXBMFYSA-N 0 0 323.223 4.431 20 10 DICDRN O=C(C1=CC(=O)CS1)N1CCC[C@H]1CCCc1ccccc1 ZINC000768347999 1051925503 /nfs/dbraw/zinc/92/55/03/1051925503.db2.gz XRSGGZLBXXSKAY-OAHLLOKOSA-N 0 0 315.438 4.081 20 10 DICDRN O=C(C1=CC(=O)CS1)N1CCC[C@@H]1CCCc1ccccc1 ZINC000768347998 1051926258 /nfs/dbraw/zinc/92/62/58/1051926258.db2.gz XRSGGZLBXXSKAY-HNNXBMFYSA-N 0 0 315.438 4.081 20 10 DICDRN Cc1ccc(Cl)c2sc(NC(=O)C3=CC(=O)CS3)nc21 ZINC000807767677 1051928872 /nfs/dbraw/zinc/92/88/72/1051928872.db2.gz QBKXOCMPRNUEMR-UHFFFAOYSA-N 0 0 324.814 4.278 20 10 DICDRN Cc1cccc(-c2cnc(NC(=O)C3=CC(=O)CS3)s2)c1 ZINC000807777219 1051931354 /nfs/dbraw/zinc/93/13/54/1051931354.db2.gz NVUHYDACNUVSCW-UHFFFAOYSA-N 0 0 316.407 4.138 20 10 DICDRN Cc1ccc(Cl)c2ccc(NCc3ccc(O)c(O)c3)nc12 ZINC001169993271 1051940756 /nfs/dbraw/zinc/94/07/56/1051940756.db2.gz QQKMYKSHFJYXES-UHFFFAOYSA-N 0 0 314.772 4.220 20 10 DICDRN Oc1ccc(CNc2ccc3c(c2)[nH]c2ccccc23)cc1O ZINC001169994530 1051956838 /nfs/dbraw/zinc/95/68/38/1051956838.db2.gz DEOIACHANLRNSC-UHFFFAOYSA-N 0 0 304.349 4.344 20 10 DICDRN COCc1cccc(Nc2ccccc2C(=O)c2ccncc2)c1 ZINC001174096539 1051970894 /nfs/dbraw/zinc/97/08/94/1051970894.db2.gz VBCUXNDGIYCERJ-UHFFFAOYSA-N 0 0 318.376 4.203 20 10 DICDRN Cc1ccc(C)n1-c1ccc(NCc2nccc(Cl)n2)cc1 ZINC001170547016 1051984810 /nfs/dbraw/zinc/98/48/10/1051984810.db2.gz VSMRHLAYKSZAHI-UHFFFAOYSA-N 0 0 312.804 4.150 20 10 DICDRN C[C@H]1CN(Cc2c(O)cccc2Cl)C[C@H](c2ccccc2)O1 ZINC000769106572 1051996327 /nfs/dbraw/zinc/99/63/27/1051996327.db2.gz RHHROUPBRVTKFT-SCLBCKFNSA-N 0 0 317.816 4.008 20 10 DICDRN CCCN(CCC)c1ccc(CN(C)Cc2cscn2)cc1 ZINC000769123978 1051999439 /nfs/dbraw/zinc/99/94/39/1051999439.db2.gz DSQJRDUAHSXDSN-UHFFFAOYSA-N 0 0 317.502 4.402 20 10 DICDRN COCC(C)(C)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000808429065 1052030858 /nfs/dbraw/zinc/03/08/58/1052030858.db2.gz ZYOUYUNRENDGIQ-UHFFFAOYSA-N 0 0 320.260 4.241 20 10 DICDRN CCOc1cccc(CN(C)Cc2ccc(F)cc2Cl)c1O ZINC000769382616 1052037219 /nfs/dbraw/zinc/03/72/19/1052037219.db2.gz ZDPJJSOGWGITGZ-UHFFFAOYSA-N 0 0 323.795 4.215 20 10 DICDRN COc1ccc(F)c(N(c2ccc(N)cc2)c2ccc(N)cc2)c1 ZINC001174211315 1052052873 /nfs/dbraw/zinc/05/28/73/1052052873.db2.gz WMKWPSTWVSTIEL-UHFFFAOYSA-N 0 0 323.371 4.469 20 10 DICDRN C[C@H]1SCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@@H]1C ZINC000769445688 1052056809 /nfs/dbraw/zinc/05/68/09/1052056809.db2.gz KIOYBGGOUDJIEG-RKDXNWHRSA-N 0 0 306.258 4.025 20 10 DICDRN COc1ccc(N(c2c(C)n[nH]c2C)c2ccc(N)cc2)cc1 ZINC001174217282 1052056831 /nfs/dbraw/zinc/05/68/31/1052056831.db2.gz YLBSEZMAQSWQJB-UHFFFAOYSA-N 0 0 308.385 4.087 20 10 DICDRN COc1cccc(O)c1C[N@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000769455619 1052058385 /nfs/dbraw/zinc/05/83/85/1052058385.db2.gz FKXKPVLVAQWULK-ZDUSSCGKSA-N 0 0 319.832 4.117 20 10 DICDRN COc1cccc(O)c1C[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000769456064 1052058584 /nfs/dbraw/zinc/05/85/84/1052058584.db2.gz GSWALPYGDLYVNY-SUMWQHHRSA-N 0 0 315.388 4.123 20 10 DICDRN CCN(C(=O)/C=C/c1cnc2ccccc2n1)c1cccc(C)c1 ZINC000914471912 1052062499 /nfs/dbraw/zinc/06/24/99/1052062499.db2.gz JIADIZSXAPLROI-VAWYXSNFSA-N 0 0 317.392 4.005 20 10 DICDRN CCC[N@H+](Cc1cc(Cl)ccc1[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000769471208 1052063256 /nfs/dbraw/zinc/06/32/56/1052063256.db2.gz QUOPZVDGMGMADD-UAGQMJEPSA-N 0 0 323.864 4.071 20 10 DICDRN Cc1cc(Cl)cc([C@H](C)Nc2ccc(CCO)cc2)c1O ZINC000808711384 1052074390 /nfs/dbraw/zinc/07/43/90/1052074390.db2.gz FKJVPGOBMHEZLV-LBPRGKRZSA-N 0 0 305.805 4.062 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccccc1)c1cccc(Cl)c1[O-] ZINC000808720402 1052078198 /nfs/dbraw/zinc/07/81/98/1052078198.db2.gz UUTIMMAYTMYFBJ-AFAVFJNCSA-N 0 0 319.832 4.208 20 10 DICDRN CCN1C(=O)/C(=C/c2ccc(C(C)(C)C)s2)SC1=S ZINC000769776541 1052103386 /nfs/dbraw/zinc/10/33/86/1052103386.db2.gz LLCZMRNDUSFLAZ-NTMALXAHSA-N 0 0 311.497 4.267 20 10 DICDRN Clc1cnc(CNCc2ccc(N3CCCCC3)cc2)s1 ZINC000769908772 1052120453 /nfs/dbraw/zinc/12/04/53/1052120453.db2.gz NJQWTXQVEZVWIP-UHFFFAOYSA-N 0 0 321.877 4.077 20 10 DICDRN Cc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c(C)c1 ZINC000914506811 1052122920 /nfs/dbraw/zinc/12/29/20/1052122920.db2.gz UTFQLGFHNBVVDN-UHFFFAOYSA-N 0 0 324.468 4.420 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(Cl)o1 ZINC000914505585 1052124480 /nfs/dbraw/zinc/12/44/80/1052124480.db2.gz MGMQRLIOGFRRMD-UHFFFAOYSA-N 0 0 320.820 4.050 20 10 DICDRN COc1ccc(N[C@H](C)c2ccc(C)cc2O)c2ncccc12 ZINC000770002110 1052139221 /nfs/dbraw/zinc/13/92/21/1052139221.db2.gz JMMLGXVFUOYXPV-CYBMUJFWSA-N 0 0 308.381 4.431 20 10 DICDRN Nc1ccc(CO[C@H](C(=O)c2ccccc2)c2ccccc2)cc1 ZINC001217836789 1052153398 /nfs/dbraw/zinc/15/33/98/1052153398.db2.gz IARSYFGXPASGKF-NRFANRHFSA-N 0 0 317.388 4.410 20 10 DICDRN CCc1ccccc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000770169079 1052155965 /nfs/dbraw/zinc/15/59/65/1052155965.db2.gz VPCRBWFNMOTLSP-UHFFFAOYSA-N 0 0 322.452 4.169 20 10 DICDRN C[C@H](OCc1ccc(N)cc1)c1cccc(Br)c1F ZINC001217884516 1052162661 /nfs/dbraw/zinc/16/26/61/1052162661.db2.gz PMZVIFNVDJXLPE-JTQLQIEISA-N 0 0 324.193 4.448 20 10 DICDRN C[C@@H](OCc1ccc(N)cc1)c1ccccc1OC(F)(F)F ZINC001217880480 1052162878 /nfs/dbraw/zinc/16/28/78/1052162878.db2.gz KSRHLQCCEKFSDB-LLVKDONJSA-N 0 0 311.303 4.445 20 10 DICDRN Nc1ccc(CO[C@@H]2CCc3c2cccc3Br)cc1 ZINC001217886107 1052162980 /nfs/dbraw/zinc/16/29/80/1052162980.db2.gz QPJAOAOJSXVMTE-MRXNPFEDSA-N 0 0 318.214 4.235 20 10 DICDRN Nc1ccc(CO[C@@H]2CCc3cc(C(F)(F)F)ccc32)cc1 ZINC001217933794 1052173562 /nfs/dbraw/zinc/17/35/62/1052173562.db2.gz OAUBLFBUGCIFQT-MRXNPFEDSA-N 0 0 307.315 4.492 20 10 DICDRN CCOc1ncccc1N(c1ccc(N)cc1)c1ccc(N)cc1 ZINC001174457697 1052179980 /nfs/dbraw/zinc/17/99/80/1052179980.db2.gz NDITUGNJQUHZFY-UHFFFAOYSA-N 0 0 320.396 4.115 20 10 DICDRN Nc1ccc(O[C@H]2CCc3c2cccc3Br)cc1 ZINC001218340683 1052227331 /nfs/dbraw/zinc/22/73/31/1052227331.db2.gz GKCTUDSSEUQDAB-HNNXBMFYSA-N 0 0 304.187 4.098 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N(CC(C)C)C2CC2)cc1 ZINC000914723222 1052230368 /nfs/dbraw/zinc/23/03/68/1052230368.db2.gz LMDCIOYNZLHGBQ-UHFFFAOYSA-N 0 0 310.441 4.355 20 10 DICDRN Nc1ccc(O[C@@H]2CCCc3c(Br)cccc32)cc1 ZINC001218441343 1052240036 /nfs/dbraw/zinc/24/00/36/1052240036.db2.gz UGCMIAMBGITQBT-MRXNPFEDSA-N 0 0 318.214 4.488 20 10 DICDRN Cc1cccc(C)c1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000762114750 1052306722 /nfs/dbraw/zinc/30/67/22/1052306722.db2.gz ANRCVKYABLZBRZ-UHFFFAOYSA-N 0 0 322.452 4.224 20 10 DICDRN CC(=O)c1cc(F)cc(CN(C)Cc2ccc(Cl)cc2)c1O ZINC000315118115 1052331019 /nfs/dbraw/zinc/33/10/19/1052331019.db2.gz MYOCNANCVINGHN-UHFFFAOYSA-N 0 0 321.779 4.019 20 10 DICDRN CC(=O)c1cc(Cl)cc(CN(C)Cc2ccccc2F)c1O ZINC000315192437 1052333839 /nfs/dbraw/zinc/33/38/39/1052333839.db2.gz ZSKRQBBKMSQDGL-UHFFFAOYSA-N 0 0 321.779 4.019 20 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C[C@@H]([NH2+]CCCCOc1ccccc1)c1ccc(F)cc1[O-] ZINC001320411706 1053333972 /nfs/dbraw/zinc/33/39/72/1053333972.db2.gz RNZGZMOIIURRRB-CQSZACIVSA-N 0 0 303.377 4.041 20 10 DICDRN C/C(=C/c1cccnc1)C(=O)N1CCCCCc2ccccc21 ZINC001361244720 1053344499 /nfs/dbraw/zinc/34/44/99/1053344499.db2.gz SFBRIGWLHMHVLQ-PEZBUJJGSA-N 0 0 306.409 4.245 20 10 DICDRN CC[C@@H](Nc1ccc(N2CCCC2=O)c(C)c1)c1ccccc1O ZINC001320710243 1053356032 /nfs/dbraw/zinc/35/60/32/1053356032.db2.gz CBSXKTRDNZCDPY-QGZVFWFLSA-N 0 0 324.424 4.391 20 10 DICDRN Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2N[C@@H](C(C)C)C(F)(F)F ZINC001320750507 1053357459 /nfs/dbraw/zinc/35/74/59/1053357459.db2.gz KWLUKBRRIJWGED-PGUXBMHVSA-N 0 0 301.352 4.425 20 10 DICDRN Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@@H](C(C)C)C(F)(F)F ZINC001320750506 1053358104 /nfs/dbraw/zinc/35/81/04/1053358104.db2.gz KWLUKBRRIJWGED-HFAKWTLXSA-N 0 0 301.352 4.425 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H]1C[C@@H]1Cc1ccccc1 ZINC001474751378 1053364619 /nfs/dbraw/zinc/36/46/19/1053364619.db2.gz 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ZINC001353502566 1053590590 /nfs/dbraw/zinc/59/05/90/1053590590.db2.gz ADCAKYUAQXOMHL-INIZCTEOSA-N 0 0 304.478 4.365 20 10 DICDRN CCO[C@H](C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)o1 ZINC001323827221 1053604160 /nfs/dbraw/zinc/60/41/60/1053604160.db2.gz SFBCFJPWUBGMJV-CQSZACIVSA-N 0 0 311.385 4.242 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC23CCCC3)cc1 ZINC001300350622 1053621479 /nfs/dbraw/zinc/62/14/79/1053621479.db2.gz XGORDCTWVOVCCH-UHFFFAOYSA-N 0 0 308.425 4.253 20 10 DICDRN CC[C@@H](C)NC(=S)Nc1ccccc1C(=O)c1ccccc1 ZINC001200481921 1053693475 /nfs/dbraw/zinc/69/34/75/1053693475.db2.gz NKZJYYYJZPMESL-CYBMUJFWSA-N 0 0 312.438 4.003 20 10 DICDRN O=C(NCc1ccccc1O)c1ccc(-c2ccccc2)s1 ZINC001324986470 1053693655 /nfs/dbraw/zinc/69/36/55/1053693655.db2.gz BCVKTJFGTORINE-UHFFFAOYSA-N 0 0 309.390 4.051 20 10 DICDRN CN(C)c1ccc(/N=N/c2ccc(OC[C@H]3CCO3)cc2)cc1 ZINC001231249783 1053710566 /nfs/dbraw/zinc/71/05/66/1053710566.db2.gz WZKPIYXINXRBTH-MLSMBGFSSA-N 0 0 311.385 4.336 20 10 DICDRN Cc1cnn(-c2ccc(N[C@H](C)c3ccccc3O)cc2F)c1 ZINC000183700967 1053730197 /nfs/dbraw/zinc/73/01/97/1053730197.db2.gz BEVWGOXTFSGBIW-CYBMUJFWSA-N 0 0 311.360 4.199 20 10 DICDRN Cc1cc(C(=O)NCCC(C)(C)F)c(C)n1-c1ccc(F)cc1 ZINC001300472179 1053731792 /nfs/dbraw/zinc/73/17/92/1053731792.db2.gz GKSXRDANIFEWPL-UHFFFAOYSA-N 0 0 320.383 4.101 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@H](F)C1 ZINC001325852894 1053737153 /nfs/dbraw/zinc/73/71/53/1053737153.db2.gz CPUNCQKZDBTQRR-ZBFHGGJFSA-N 0 0 307.409 4.049 20 10 DICDRN C[C@@H](Nc1ccc2c(c1)nc(C1CC1)n2C)c1ccccc1O ZINC000183708493 1053740174 /nfs/dbraw/zinc/74/01/74/1053740174.db2.gz USABAZNRZIFWNG-GFCCVEGCSA-N 0 0 307.397 4.329 20 10 DICDRN CCN(C(=O)/C=C\c1cccnc1C)c1cccc(Cl)c1 ZINC001354017685 1053743837 /nfs/dbraw/zinc/74/38/37/1053743837.db2.gz MTIIQRCSKILUDT-KTKRTIGZSA-N 0 0 300.789 4.110 20 10 DICDRN CCC(CC)[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001354141112 1053778543 /nfs/dbraw/zinc/77/85/43/1053778543.db2.gz GLNUUEHPBIYNAV-HNNXBMFYSA-N 0 0 316.489 4.316 20 10 DICDRN CCOCc1ccc(N[C@H](C)c2cccc(OC)c2O)cc1 ZINC001326484130 1053784586 /nfs/dbraw/zinc/78/45/86/1053784586.db2.gz NFDSHFSIQOEUGU-CYBMUJFWSA-N 0 0 301.386 4.110 20 10 DICDRN c1nn(C2CCCC2)cc1NCc1ccc(N2CCCC2)cc1 ZINC001354173720 1053789732 /nfs/dbraw/zinc/78/97/32/1053789732.db2.gz ICDRQSXZYQGCSN-UHFFFAOYSA-N 0 0 310.445 4.211 20 10 DICDRN C[N@H+](Cc1cc(F)cc(F)c1)Cc1cc(Cl)cc(F)c1[O-] ZINC001326576699 1053794471 /nfs/dbraw/zinc/79/44/71/1053794471.db2.gz FBKDUOHAPNOMCC-UHFFFAOYSA-N 0 0 315.722 4.095 20 10 DICDRN Cc1cc(-c2nnc(Cc3ccco3)o2)c(C)n1-c1ccccc1 ZINC001326930808 1053809781 /nfs/dbraw/zinc/80/97/81/1053809781.db2.gz KDLMUSGWWLKXRY-UHFFFAOYSA-N 0 0 319.364 4.328 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)/C(C)=C\c1cccnc1 ZINC000848045927 1053816031 /nfs/dbraw/zinc/81/60/31/1053816031.db2.gz MCNMBUWMCQUJEO-SSZFMOIBSA-N 0 0 324.424 4.019 20 10 DICDRN C[C@@H]([NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC001327266871 1053845017 /nfs/dbraw/zinc/84/50/17/1053845017.db2.gz HVMSVLHTURMNNW-VZJNWSLWSA-N 0 0 321.289 4.105 20 10 DICDRN Cc1nn(C)c2cc(NCc3ccc(N4CCCC4)cc3)ccc12 ZINC001327632365 1053868932 /nfs/dbraw/zinc/86/89/32/1053868932.db2.gz PMWKGWIWTSFKQM-UHFFFAOYSA-N 0 0 320.440 4.094 20 10 DICDRN C[C@]1(CF)CC(F)(F)CN1Cc1ccc2ccccc2c1O ZINC001231879502 1053902143 /nfs/dbraw/zinc/90/21/43/1053902143.db2.gz FUNCDGFZHKRLGL-MRXNPFEDSA-N 0 0 309.331 4.115 20 10 DICDRN Oc1c(C[N@H+](C2CCC2)C2CCOCC2)ccc2ccccc21 ZINC001231883866 1053904666 /nfs/dbraw/zinc/90/46/66/1053904666.db2.gz RDLXHSYJDDMPBS-UHFFFAOYSA-N 0 0 311.425 4.079 20 10 DICDRN Oc1c(CN2Cc3cnc(Cl)cc3C2)ccc2ccccc21 ZINC001231883390 1053904846 /nfs/dbraw/zinc/90/48/46/1053904846.db2.gz JNTVJWWVQFFQQC-UHFFFAOYSA-N 0 0 310.784 4.110 20 10 DICDRN C[C@H]([NH2+]Cc1cccc(F)c1[O-])c1ccc(C(F)(F)F)cc1 ZINC000276627781 1053906146 /nfs/dbraw/zinc/90/61/46/1053906146.db2.gz IZNWTAVWSPEZGV-JTQLQIEISA-N 0 0 313.294 4.401 20 10 DICDRN Cc1ccc2c(c1)CC[N@@H+](Cc1ccc3ccccc3c1O)C2 ZINC001231883451 1053906791 /nfs/dbraw/zinc/90/67/91/1053906791.db2.gz KXYIOKHATICFCX-UHFFFAOYSA-N 0 0 303.405 4.412 20 10 DICDRN CCCOc1ccccc1NCc1cc(Cl)cc(OC)c1O ZINC000076274142 1053974029 /nfs/dbraw/zinc/97/40/29/1053974029.db2.gz BOOJZBWYIKDHKW-UHFFFAOYSA-N 0 0 321.804 4.455 20 10 DICDRN COc1cc(O)c(CN2Cc3cccc(Cl)c3C2)cc1Cl ZINC001232269223 1054011246 /nfs/dbraw/zinc/01/12/46/1054011246.db2.gz UARMAKRETYQRAZ-UHFFFAOYSA-N 0 0 324.207 4.223 20 10 DICDRN CCC[C@H](C(=O)NCc1ccc(N(CC)CC)cc1)C(C)C ZINC001355014862 1054030941 /nfs/dbraw/zinc/03/09/41/1054030941.db2.gz GOJFDLRQAPKDIZ-SFHVURJKSA-N 0 0 304.478 4.221 20 10 DICDRN CCC[C@@H](C(=O)NCc1ccc(N(CC)CC)cc1)C(C)C ZINC001355014861 1054031093 /nfs/dbraw/zinc/03/10/93/1054031093.db2.gz GOJFDLRQAPKDIZ-GOSISDBHSA-N 0 0 304.478 4.221 20 10 DICDRN c1cc(N2CCCC2)ccc1CNc1ccc([C@@H]2CCOC2)cc1 ZINC001330430451 1054036882 /nfs/dbraw/zinc/03/68/82/1054036882.db2.gz ICKWWFZYSPJZGY-LJQANCHMSA-N 0 0 322.452 4.403 20 10 DICDRN Cc1cc(CC(=O)NC(C)(C)C(C)C)c(C)n1-c1ccccc1 ZINC001437421658 1054047551 /nfs/dbraw/zinc/04/75/51/1054047551.db2.gz IRROFHROYMCAKK-UHFFFAOYSA-N 0 0 312.457 4.187 20 10 DICDRN CC[C@H](C)CCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001437494010 1054056179 /nfs/dbraw/zinc/05/61/79/1054056179.db2.gz RAXONONJXNNRQL-HNNXBMFYSA-N 0 0 312.457 4.189 20 10 DICDRN CC[C@@H](C)CCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001437494013 1054056308 /nfs/dbraw/zinc/05/63/08/1054056308.db2.gz RAXONONJXNNRQL-OAHLLOKOSA-N 0 0 312.457 4.189 20 10 DICDRN CC1(C)C[N@H+](Cc2cc(F)c(Cl)cc2[O-])CCC1(F)F ZINC001237934176 1054086353 /nfs/dbraw/zinc/08/63/53/1054086353.db2.gz IKNFCQAYHYMUMK-UHFFFAOYSA-N 0 0 307.743 4.052 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)CC2CCC2)cc1 ZINC001438151004 1054143750 /nfs/dbraw/zinc/14/37/50/1054143750.db2.gz PKFXFQWHRQGFQI-CQSZACIVSA-N 0 0 310.441 4.403 20 10 DICDRN C/C=C(/CC)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC001438176844 1054147325 /nfs/dbraw/zinc/14/73/25/1054147325.db2.gz IGMLIJXTGKFUHM-ZWSORDCHSA-N 0 0 310.441 4.109 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1F ZINC000848556138 1054147688 /nfs/dbraw/zinc/14/76/88/1054147688.db2.gz NUUBVURRFQLEQO-MEDUHNTESA-N 0 0 318.348 4.241 20 10 DICDRN CC[C@@H]([NH2+]CCc1ncc(C)cc1C)c1cccc(Cl)c1[O-] ZINC000848560016 1054148800 /nfs/dbraw/zinc/14/88/00/1054148800.db2.gz IYFPBVMXEXNEEL-MRXNPFEDSA-N 0 0 318.848 4.341 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)Cc1ccccn1)c1cccc(Cl)c1[O-] ZINC000848564480 1054151424 /nfs/dbraw/zinc/15/14/24/1054151424.db2.gz GSYLPPVWEZWOEB-MLGOLLRUSA-N 0 0 304.821 4.113 20 10 DICDRN Cc1cc(CNC(=O)CCCC2CC2)c(C)n1-c1ccccc1 ZINC001438298515 1054164062 /nfs/dbraw/zinc/16/40/62/1054164062.db2.gz FGAKIEJXFSNQBZ-UHFFFAOYSA-N 0 0 310.441 4.291 20 10 DICDRN Cc1cc(CNC(=O)[C@H](C)C2CCC2)c(C)n1-c1cccc(C)c1 ZINC001438301432 1054164283 /nfs/dbraw/zinc/16/42/83/1054164283.db2.gz KVFKGYYTFBBYIK-MRXNPFEDSA-N 0 0 324.468 4.455 20 10 DICDRN Cc1cc(Br)cc(C[N@@H+]2CCC23CCCCC3)c1O 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CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCC[C@H]1C ZINC001524895585 1059670847 /nfs/dbraw/zinc/67/08/47/1059670847.db2.gz ZKFBDNJBRIDDRK-VQIMIIECSA-N 0 0 316.489 4.316 20 10 DICDRN Cc1ccccc1-c1noc(/C=C/c2ccc(N(C)C)cc2)n1 ZINC001248039097 1059698127 /nfs/dbraw/zinc/69/81/27/1059698127.db2.gz MKGPNYJBJVISJA-JLHYYAGUSA-N 0 0 305.381 4.281 20 10 DICDRN Cc1c(F)cccc1-c1noc(/C=C/c2ccc(N(C)C)cc2)n1 ZINC001248039104 1059698530 /nfs/dbraw/zinc/69/85/30/1059698530.db2.gz MLIFSYKAXFTANT-FMIVXFBMSA-N 0 0 323.371 4.421 20 10 DICDRN CN(C)c1ccc(/C=C/c2nc(-c3ccc(F)cc3)no2)cc1 ZINC001248039277 1059699309 /nfs/dbraw/zinc/69/93/09/1059699309.db2.gz QKOQWKINHCNOBI-LFYBBSHMSA-N 0 0 309.344 4.112 20 10 DICDRN CC(C)(C)Oc1ccc(-c2noc(Cc3ccc(N)cc3)n2)cc1 ZINC001248183523 1059748757 /nfs/dbraw/zinc/74/87/57/1059748757.db2.gz JEDFULCWUVZLEZ-UHFFFAOYSA-N 0 0 323.396 4.087 20 10 DICDRN COc1ccc(N(C)Cc2cc(=O)oc3cc(C)c(C)cc23)cc1 ZINC001559969346 1059778198 /nfs/dbraw/zinc/77/81/98/1059778198.db2.gz 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Cc1c2ccccc2oc1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001560334103 1060120751 /nfs/dbraw/zinc/12/07/51/1060120751.db2.gz RGNWCRMSUQHIGE-UHFFFAOYSA-N 0 0 303.308 4.015 20 10 DICDRN CCN(CC)c1ccc(CNc2ccc3n[nH]cc3c2)cc1F ZINC001560376504 1060162651 /nfs/dbraw/zinc/16/26/51/1060162651.db2.gz PHERYYXQKBKLLP-UHFFFAOYSA-N 0 0 312.392 4.160 20 10 DICDRN CCCOc1cc(F)ccc1NCc1cc(F)cc(F)c1O ZINC001560393342 1060178844 /nfs/dbraw/zinc/17/88/44/1060178844.db2.gz UGZONMAIQLJVGG-UHFFFAOYSA-N 0 0 311.303 4.210 20 10 DICDRN CCOc1cc(F)ccc1NC/C=C\c1ccc(N(C)C)cc1 ZINC001560402676 1060187501 /nfs/dbraw/zinc/18/75/01/1060187501.db2.gz BWGBAIWVWSCGTJ-WAYWQWQTSA-N 0 0 314.404 4.416 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)/C(C)=C/C(C)(C)C)cc1 ZINC001534245837 1060191935 /nfs/dbraw/zinc/19/19/35/1060191935.db2.gz JUVVERQTQYMRHD-FYWRMAATSA-N 0 0 302.462 4.141 20 10 DICDRN CCc1ccc(N(CC2CC2)C(=O)/C=C\c2cncc(C)c2)cc1 ZINC001526464428 1060229271 /nfs/dbraw/zinc/22/92/71/1060229271.db2.gz JMTPLGRMNCBZIM-FLIBITNWSA-N 0 0 320.436 4.409 20 10 DICDRN Cc1cc(CC(=O)N[C@@H](C)CC2CCC2)c(C)n1-c1ccccc1 ZINC001534391900 1060248086 /nfs/dbraw/zinc/24/80/86/1060248086.db2.gz MEDZEUSPBOYMTE-HNNXBMFYSA-N 0 0 324.468 4.332 20 10 DICDRN CCCn1ncc(NC/C=C\c2ccc(N(C)C)cc2)c1C1CC1 ZINC001560480382 1060271683 /nfs/dbraw/zinc/27/16/83/1060271683.db2.gz YTSKMQZLLVKFHZ-WAYWQWQTSA-N 0 0 324.472 4.362 20 10 DICDRN Cc1cc(CC(=O)N(C)CCC(C)C)c(C)n1-c1ccccc1 ZINC001534467619 1060281395 /nfs/dbraw/zinc/28/13/95/1060281395.db2.gz RHOBSPYZRKWABF-UHFFFAOYSA-N 0 0 312.457 4.141 20 10 DICDRN Cc1c(N)c(F)ccc1N(c1ccc(N)cc1)c1ccc(N)cc1 ZINC001249641772 1060326105 /nfs/dbraw/zinc/32/61/05/1060326105.db2.gz HBRMUZQUTCONMM-UHFFFAOYSA-N 0 0 322.387 4.351 20 10 DICDRN Cc1cc(CNC(=O)CC2CCCC2)c(C)n1-c1ccccc1 ZINC001534766277 1060363081 /nfs/dbraw/zinc/36/30/81/1060363081.db2.gz KZDOOEUPFHNXDI-UHFFFAOYSA-N 0 0 310.441 4.291 20 10 DICDRN Cc1cc(CNC(=O)C[C@H]2C=CCCC2)c(C)n1-c1ccccc1 ZINC001534765604 1060363356 /nfs/dbraw/zinc/36/33/56/1060363356.db2.gz GYSHQMHPQAVVNR-SFHVURJKSA-N 0 0 322.452 4.457 20 10 DICDRN Cc1ccoc1COC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001526891949 1060369465 /nfs/dbraw/zinc/36/94/65/1060369465.db2.gz UVTDFEHSTXEXIT-UHFFFAOYSA-N 0 0 309.365 4.353 20 10 DICDRN Cc1cncc(/C=C/C(=O)N(C)c2ccc(C(C)(C)C)cc2)c1 ZINC001534793240 1060371100 /nfs/dbraw/zinc/37/11/00/1060371100.db2.gz YONPNIWZTRQWLQ-IZZDOVSWSA-N 0 0 308.425 4.364 20 10 DICDRN COc1cc(N(c2ccccc2)c2cccc(N)c2)ccc1N ZINC001249724926 1060373896 /nfs/dbraw/zinc/37/38/96/1060373896.db2.gz UIASTZBBVUNVHT-UHFFFAOYSA-N 0 0 305.381 4.329 20 10 DICDRN COCc1cc(NCc2c(C)c3ccccc3n2C)ccc1OC ZINC001560566589 1060377435 /nfs/dbraw/zinc/37/74/35/1060377435.db2.gz UVDMYOMASBEHLF-UHFFFAOYSA-N 0 0 324.424 4.254 20 10 DICDRN Cc1c2ccccc2n(C)c1CN[C@H]1c2ccccc2OC[C@H]1F ZINC001560587929 1060400267 /nfs/dbraw/zinc/40/02/67/1060400267.db2.gz HCHCUQBNEPWTED-UZLBHIALSA-N 0 0 324.399 4.048 20 10 DICDRN COc1ccc(N(c2ccc(N)cc2)c2cnc(N)c(C)c2)cc1 ZINC001249791016 1060404910 /nfs/dbraw/zinc/40/49/10/1060404910.db2.gz RFXQGGWKAKHDPV-UHFFFAOYSA-N 0 0 320.396 4.033 20 10 DICDRN CCN(CC)c1ccc(CNc2nn(C)c3ccccc32)cc1 ZINC001560618098 1060429370 /nfs/dbraw/zinc/42/93/70/1060429370.db2.gz JUGREGIVVGMSOX-UHFFFAOYSA-N 0 0 308.429 4.032 20 10 DICDRN CC[C@@H](NCc1cc(OC)cc(C(C)(C)C)c1O)C(F)(F)F ZINC001560626154 1060435445 /nfs/dbraw/zinc/43/54/45/1060435445.db2.gz DHPKEJVLDCYQHM-CYBMUJFWSA-N 0 0 319.367 4.129 20 10 DICDRN Oc1cc(Cl)ccc1CN1CCc2c3ccccc3[nH]c2C1 ZINC001560628292 1060437778 /nfs/dbraw/zinc/43/77/78/1060437778.db2.gz SQLLLAXVVLOGHZ-UHFFFAOYSA-N 0 0 312.800 4.085 20 10 DICDRN Cc1cc(CNC(=O)C2(C)CC=CC2)c(C)n1-c1cccc(C)c1 ZINC001535136572 1060469632 /nfs/dbraw/zinc/46/96/32/1060469632.db2.gz RQPHMCGPUNZFRQ-UHFFFAOYSA-N 0 0 322.452 4.375 20 10 DICDRN Cc1cc(CNC(=O)[C@H](C)CC(C)C)c(C)n1-c1ccccc1 ZINC001535143461 1060472734 /nfs/dbraw/zinc/47/27/34/1060472734.db2.gz LKNGCQQJFZROOF-OAHLLOKOSA-N 0 0 312.457 4.393 20 10 DICDRN C/C(=C/c1cccnc1)C(=O)N1CCC(C)(C)c2ccccc21 ZINC001527289473 1060478770 /nfs/dbraw/zinc/47/87/70/1060478770.db2.gz ZTMUJTHPXTUGBO-SQFISAMPSA-N 0 0 306.409 4.199 20 10 DICDRN COc1ccc2c(c1)CCN2C[C@@H](C)c1cc(F)cc(F)c1 ZINC001560703075 1060557371 /nfs/dbraw/zinc/55/73/71/1060557371.db2.gz ANLFZAYPMXRNNS-GFCCVEGCSA-N 0 0 303.352 4.140 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)Cc1c(F)cc(C)cc1F ZINC001560724372 1060591110 /nfs/dbraw/zinc/59/11/10/1060591110.db2.gz HRGDDWQKWWAUFP-UHFFFAOYSA-N 0 0 318.411 4.361 20 10 DICDRN C[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)c2ccccc2O1 ZINC001560733870 1060600685 /nfs/dbraw/zinc/60/06/85/1060600685.db2.gz COUCAICSHNPOQG-MWWKQMNYSA-N 0 0 308.425 4.053 20 10 DICDRN CC[C@H]1Cc2ccccc2C[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC001560734158 1060604013 /nfs/dbraw/zinc/60/40/13/1060604013.db2.gz HVSSYVOXNSLSCS-INIZCTEOSA-N 0 0 301.817 4.383 20 10 DICDRN CCc1cccc2cc(CN(C)c3ccc4c(c3)OCO4)oc21 ZINC001560745996 1060613060 /nfs/dbraw/zinc/61/30/60/1060613060.db2.gz IYCRUMPBEGZNEB-UHFFFAOYSA-N 0 0 309.365 4.360 20 10 DICDRN COc1ccc(N(C)C[C@@H]2CCOc3ccccc32)cc1Cl ZINC001560746447 1060613589 /nfs/dbraw/zinc/61/35/89/1060613589.db2.gz ZJAALPZBCAOBOP-ZDUSSCGKSA-N 0 0 317.816 4.351 20 10 DICDRN C[C@]1([NH2+]Cc2ccc(F)c(F)c2[O-])CCCc2ccccc21 ZINC001560747734 1060615755 /nfs/dbraw/zinc/61/57/55/1060615755.db2.gz WPWYFYSORYUONM-SFHVURJKSA-N 0 0 303.352 4.012 20 10 DICDRN C[C@@]1([NH2+]Cc2cc(F)c(F)cc2[O-])CCCc2ccccc21 ZINC001560747612 1060616922 /nfs/dbraw/zinc/61/69/22/1060616922.db2.gz SIGFUVOBILZANK-GOSISDBHSA-N 0 0 303.352 4.012 20 10 DICDRN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1cc2ccccc2o1 ZINC001560759068 1060625678 /nfs/dbraw/zinc/62/56/78/1060625678.db2.gz RAHPQCKHNHIICE-JTQLQIEISA-N 0 0 303.308 4.267 20 10 DICDRN Cc1cc(O)c(CN(C)Cc2cc(C(C)(C)C)n[nH]2)cc1Cl ZINC001560790013 1060648670 /nfs/dbraw/zinc/64/86/70/1060648670.db2.gz QDKVEALSUXBEEF-UHFFFAOYSA-N 0 0 321.852 4.007 20 10 DICDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001560789224 1060649586 /nfs/dbraw/zinc/64/95/86/1060649586.db2.gz QWLQSKZXZIOXGU-LBPRGKRZSA-N 0 0 323.770 4.313 20 10 DICDRN [O-]c1cc(F)c(F)cc1C[NH2+]C[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001560852777 1060710912 /nfs/dbraw/zinc/71/09/12/1060710912.db2.gz MIGWUFOIAJKWCD-GOEBONIOSA-N 0 0 317.379 4.344 20 10 DICDRN COc1ccc2c(c1)CCCCN2Cc1cccc(O)c1Cl ZINC001560865681 1060725414 /nfs/dbraw/zinc/72/54/14/1060725414.db2.gz HOWGFIGQLHNGLH-UHFFFAOYSA-N 0 0 317.816 4.397 20 10 DICDRN C[C@@H]1c2ccsc2CC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC001560869412 1060729301 /nfs/dbraw/zinc/72/93/01/1060729301.db2.gz GXEIPBKZFIEGJA-FOSCPCJNSA-N 0 0 312.482 4.447 20 10 DICDRN C[C@H]1c2ccsc2CC[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC001560869414 1060730788 /nfs/dbraw/zinc/73/07/88/1060730788.db2.gz GXEIPBKZFIEGJA-RGDDUWESSA-N 0 0 312.482 4.447 20 10 DICDRN CC(C)Oc1c(F)cc(Nc2cccc(O)c2O)cc1Cl ZINC001250281922 1060752950 /nfs/dbraw/zinc/75/29/50/1060752950.db2.gz AVKYEPXLVFGBNZ-UHFFFAOYSA-N 0 0 311.740 4.421 20 10 DICDRN Cc1ccc(CC(C)(C)[NH2+]Cc2cc(F)c(F)cc2[O-])cc1 ZINC001560892547 1060754426 /nfs/dbraw/zinc/75/44/26/1060754426.db2.gz QWTSDWCHPIOPIX-UHFFFAOYSA-N 0 0 305.368 4.090 20 10 DICDRN Oc1cc(F)c(F)cc1CNc1ccc2c(c1)[C@H](O)CCCC2 ZINC001560923104 1060789285 /nfs/dbraw/zinc/78/92/85/1060789285.db2.gz QZQNAGHJJXICRB-QGZVFWFLSA-N 0 0 319.351 4.042 20 10 DICDRN CC(C)(C)n1c2ccc(F)cc2nc1-c1ccc(O)c(O)c1 ZINC001250464759 1060822641 /nfs/dbraw/zinc/82/26/41/1060822641.db2.gz LBAHOCWKUQTPMS-UHFFFAOYSA-N 0 0 300.333 4.009 20 10 DICDRN CCCCn1c2cc(F)ccc2nc1-c1ccc(O)c(O)c1 ZINC001250464623 1060823110 /nfs/dbraw/zinc/82/31/10/1060823110.db2.gz GFZWEQUZCJOGDK-UHFFFAOYSA-N 0 0 300.333 4.054 20 10 DICDRN Oc1ccc(-c2nc3cc(-c4ccccc4)ccc3[nH]2)cc1O ZINC001250464693 1060823247 /nfs/dbraw/zinc/82/32/47/1060823247.db2.gz IXUMMGALPUBEBU-UHFFFAOYSA-N 0 0 302.333 4.308 20 10 DICDRN COc1cc(-c2nc3ccc(C)cc3n2C(C)C)cc(O)c1O ZINC001250488812 1060842354 /nfs/dbraw/zinc/84/23/54/1060842354.db2.gz OSYYNLDEOOJEAH-UHFFFAOYSA-N 0 0 312.369 4.012 20 10 DICDRN c1cnc2ccc3[nH]c(-c4ccc(N5CCCC5)cc4)nc3c2c1 ZINC001250489769 1060846173 /nfs/dbraw/zinc/84/61/73/1060846173.db2.gz FWWXQEQRQQWHLL-UHFFFAOYSA-N 0 0 314.392 4.378 20 10 DICDRN CC(C)[C@@H](Cc1ccccc1)[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001561008011 1060864919 /nfs/dbraw/zinc/86/49/19/1060864919.db2.gz MXJDQUMKXICNFJ-QGZVFWFLSA-N 0 0 305.368 4.027 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]C1CC(Sc2ccccc2)C1 ZINC001561043594 1060896023 /nfs/dbraw/zinc/89/60/23/1060896023.db2.gz BGMZMIYQVOYLSK-UHFFFAOYSA-N 0 0 319.857 4.459 20 10 DICDRN C[C@@H](CCc1ccccc1F)[NH2+]Cc1cccc(Cl)c1[O-] ZINC001561043682 1060896274 /nfs/dbraw/zinc/89/62/74/1060896274.db2.gz DVMPLUYRNNXSPX-LBPRGKRZSA-N 0 0 307.796 4.296 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)OC1CCCCC1 ZINC001561150666 1060913472 /nfs/dbraw/zinc/91/34/72/1060913472.db2.gz RQJDLXGRNOIDEV-UHFFFAOYSA-N 0 0 318.461 4.432 20 10 DICDRN Cc1cc(CC(=O)N[C@@]23C[C@@H]2CCCC3)c(C)n1-c1ccccc1 ZINC001462139575 1060962775 /nfs/dbraw/zinc/96/27/75/1060962775.db2.gz NSSJLVCCSIQXFJ-RXVVDRJESA-N 0 0 322.452 4.086 20 10 DICDRN Cc1ncc(/C=C/C(=O)N(CC2CC2)c2cccc(F)c2)s1 ZINC001462189634 1061013350 /nfs/dbraw/zinc/01/33/50/1061013350.db2.gz ILGLSDDVXOSTKW-BQYQJAHWSA-N 0 0 316.401 4.047 20 10 DICDRN CC(C)c1ccc2[nH]c(-c3ccc(N4CCOCC4)cc3)nc2c1 ZINC001250702427 1061026614 /nfs/dbraw/zinc/02/66/14/1061026614.db2.gz BUOUXBONTOEQLQ-UHFFFAOYSA-N 0 0 321.424 4.190 20 10 DICDRN COc1cccc(SCCN(C)c2ccc(OC)c(F)c2)c1 ZINC001473250552 1061028196 /nfs/dbraw/zinc/02/81/96/1061028196.db2.gz MGSMHKMADYAVFS-UHFFFAOYSA-N 0 0 321.417 4.071 20 10 DICDRN COc1ccc(C)c2c1N(Cc1ccc(N(C)C)cc1)CCC2 ZINC001473256803 1061035368 /nfs/dbraw/zinc/03/53/68/1061035368.db2.gz YWLMKMKGLFXFGI-UHFFFAOYSA-N 0 0 310.441 4.022 20 10 DICDRN CCOc1ccc(N(CC)C[C@@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC001473261281 1061036934 /nfs/dbraw/zinc/03/69/34/1061036934.db2.gz HNQJXYHKEQDASH-LSDHHAIUSA-N 0 0 317.351 4.022 20 10 DICDRN CCOc1ccc(N(CC)C[C@@H]2CCC3(CCCC3)O2)cc1 ZINC001473261078 1061037014 /nfs/dbraw/zinc/03/70/14/1061037014.db2.gz CUCBWHYYLZRWPY-SFHVURJKSA-N 0 0 303.446 4.403 20 10 DICDRN C[C@@H](c1ccccc1)[N@H+](Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC001462223283 1061039805 /nfs/dbraw/zinc/03/98/05/1061039805.db2.gz LWDYXAPOOZNECI-LBPRGKRZSA-N 0 0 303.352 4.396 20 10 DICDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(C)C)cc1F ZINC001473271998 1061046438 /nfs/dbraw/zinc/04/64/38/1061046438.db2.gz CMZQMGOYSSCZJV-UHFFFAOYSA-N 0 0 316.420 4.315 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC[C@H]1CCc2ccccc21 ZINC001462296060 1061085410 /nfs/dbraw/zinc/08/54/10/1061085410.db2.gz PZHGSOOWUXVVMN-CYBMUJFWSA-N 0 0 319.807 4.394 20 10 DICDRN CC(C)[C@@H]1[N@H+](Cc2cc(F)c(F)cc2[O-])CC12CCCCC2 ZINC001462337997 1061115121 /nfs/dbraw/zinc/11/51/21/1061115121.db2.gz ZNRWHJBIKZAPBE-KRWDZBQOSA-N 0 0 309.400 4.461 20 10 DICDRN Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001462340804 1061118065 /nfs/dbraw/zinc/11/80/65/1061118065.db2.gz QZNGNSXJZZYJTP-QGZVFWFLSA-N 0 0 321.342 4.455 20 10 DICDRN Cc1cc(C)c2c(c1)N(Cc1ccc(N(C)C)cc1C)CCO2 ZINC001462400431 1061150076 /nfs/dbraw/zinc/15/00/76/1061150076.db2.gz LPTKMMQKJMAYDZ-UHFFFAOYSA-N 0 0 310.441 4.077 20 10 DICDRN COc1ccc(N(CCC(C)C)Cc2c(C)noc2C)cc1 ZINC001473445818 1061163437 /nfs/dbraw/zinc/16/34/37/1061163437.db2.gz YIQKQYYHDRFKPD-UHFFFAOYSA-N 0 0 302.418 4.353 20 10 DICDRN CC(=O)c1ccc2c(c1)nc(-c1ccc(-n3cccc3)cc1)n2C ZINC001250999516 1061175836 /nfs/dbraw/zinc/17/58/36/1061175836.db2.gz QXKWNSATOUMBLQ-UHFFFAOYSA-N 0 0 315.376 4.234 20 10 DICDRN CN(C)c1ccc(CN2CC[C@H]2c2ccc(Cl)cc2)cc1 ZINC001473466299 1061177443 /nfs/dbraw/zinc/17/74/43/1061177443.db2.gz CGOLDYGDONTODW-SFHVURJKSA-N 0 0 300.833 4.353 20 10 DICDRN COc1cc2c(c(OC)c1)N(Cc1ccc(C)c(F)c1)CCC2 ZINC001473553907 1061240002 /nfs/dbraw/zinc/24/00/02/1061240002.db2.gz SPHFUJXHUMMKLO-UHFFFAOYSA-N 0 0 315.388 4.104 20 10 DICDRN COc1cc2c(c(OC)c1)N(Cc1cc(C)sc1C)CCC2 ZINC001473552940 1061242663 /nfs/dbraw/zinc/24/26/63/1061242663.db2.gz AOGYSCUKDZIIJZ-UHFFFAOYSA-N 0 0 317.454 4.335 20 10 DICDRN COc1ccc(N(Cc2csc(Cl)n2)CC(C)C)cc1 ZINC001473559745 1061244913 /nfs/dbraw/zinc/24/49/13/1061244913.db2.gz MQOMGHPGRKTHLX-UHFFFAOYSA-N 0 0 310.850 4.468 20 10 DICDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1nc(C)cs1 ZINC001473569746 1061258955 /nfs/dbraw/zinc/25/89/55/1061258955.db2.gz PZLIANUPHGSODS-OAHLLOKOSA-N 0 0 316.470 4.295 20 10 DICDRN Oc1cc(-c2nc3cc(-c4ccccc4)ccc3[nH]2)cc(O)c1O ZINC001251248472 1061290648 /nfs/dbraw/zinc/29/06/48/1061290648.db2.gz SREMWKUXQYTLJL-UHFFFAOYSA-N 0 0 318.332 4.014 20 10 DICDRN CCCCCn1c2ccccc2nc1-c1cc(O)c(O)c(O)c1 ZINC001251248516 1061291330 /nfs/dbraw/zinc/29/13/30/1061291330.db2.gz VKTXSCDPTNLCCZ-UHFFFAOYSA-N 0 0 312.369 4.010 20 10 DICDRN CC1(C)C2CCC1(C(=O)NCc1c(O)ccc3ccccc31)CC2 ZINC001456306950 1061295741 /nfs/dbraw/zinc/29/57/41/1061295741.db2.gz BCVPMHPXIBEQCR-UHFFFAOYSA-N 0 0 323.436 4.378 20 10 DICDRN CCc1ccc(C(=O)NCc2c(O)ccc3ccccc32)cc1 ZINC001456313569 1061296028 /nfs/dbraw/zinc/29/60/28/1061296028.db2.gz YUMRYPXGUGGVQY-UHFFFAOYSA-N 0 0 305.377 4.038 20 10 DICDRN Oc1cc(Br)ccc1C[NH2+]C[C@@H]1C[C@@H]1C1CCCC1 ZINC001462669203 1061327045 /nfs/dbraw/zinc/32/70/45/1061327045.db2.gz SDKLFPKZQSFIPP-DZGCQCFKSA-N 0 0 324.262 4.071 20 10 DICDRN Oc1cc(Br)ccc1C[NH2+]C[C@H]1C[C@@H]1C1CCCC1 ZINC001462669209 1061329135 /nfs/dbraw/zinc/32/91/35/1061329135.db2.gz SDKLFPKZQSFIPP-UKRRQHHQSA-N 0 0 324.262 4.071 20 10 DICDRN Oc1cc(O)c(-c2nc3ccccc3n2C2CCCCC2)cc1O ZINC001251355465 1061330423 /nfs/dbraw/zinc/33/04/23/1061330423.db2.gz MNMLXVWJJSSIOM-UHFFFAOYSA-N 0 0 324.380 4.325 20 10 DICDRN CC[C@@H](C)[C@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001456589633 1061341995 /nfs/dbraw/zinc/34/19/95/1061341995.db2.gz NWICXFMZPUIYJO-ZBFHGGJFSA-N 0 0 312.457 4.187 20 10 DICDRN CCOc1ccc(N(C)CCSc2cccc(OC)c2)cc1 ZINC001473775542 1061402711 /nfs/dbraw/zinc/40/27/11/1061402711.db2.gz OUYSPNPPJWQDPI-UHFFFAOYSA-N 0 0 317.454 4.322 20 10 DICDRN Cc1ncccc1/C=C\C(=O)N1CC2(CCCC2)c2ccccc21 ZINC001457403652 1061448978 /nfs/dbraw/zinc/44/89/78/1061448978.db2.gz GNKYJZUDJRBAND-KHPPLWFESA-N 0 0 318.420 4.262 20 10 DICDRN CCC[C@H](CC)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001457406257 1061449689 /nfs/dbraw/zinc/44/96/89/1061449689.db2.gz JEOHUINZJNTUJF-AWEZNQCLSA-N 0 0 322.412 4.161 20 10 DICDRN CN(C)c1ccc(/C=C/CNc2cccc3cnccc32)cc1 ZINC001473945070 1061488817 /nfs/dbraw/zinc/48/88/17/1061488817.db2.gz WSTTUIUAZSTPDF-SNAWJCMRSA-N 0 0 303.409 4.426 20 10 DICDRN CC(C(=O)N(C)Cc1ccc(N2CCCC2)cc1)=C1CCCC1 ZINC001463815027 1061522822 /nfs/dbraw/zinc/52/28/22/1061522822.db2.gz UCWHFOPGTYZWGH-UHFFFAOYSA-N 0 0 312.457 4.136 20 10 DICDRN CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC001473983444 1061525590 /nfs/dbraw/zinc/52/55/90/1061525590.db2.gz MJQSDNDCRPLHAL-GFCCVEGCSA-N 0 0 321.367 4.308 20 10 DICDRN O=C(c1ccccc1)c1ccccc1NC[C@@H](O)c1ccccc1 ZINC001251995319 1061549879 /nfs/dbraw/zinc/54/98/79/1061549879.db2.gz KLNVUENWQQDIOI-HXUWFJFHSA-N 0 0 317.388 4.063 20 10 DICDRN CCOCc1ccc(NCc2cc(Cl)cc(F)c2O)cc1 ZINC001474023492 1061564064 /nfs/dbraw/zinc/56/40/64/1061564064.db2.gz BSETUKVZHWAQFG-UHFFFAOYSA-N 0 0 309.768 4.333 20 10 DICDRN CCc1cc(NCc2ccc(N(CC)CC)cc2)nc(CC)n1 ZINC001458112366 1061576425 /nfs/dbraw/zinc/57/64/25/1061576425.db2.gz GBEARXHZWKOCCG-UHFFFAOYSA-N 0 0 312.461 4.060 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CC1CCCCCC1 ZINC001464508304 1061600091 /nfs/dbraw/zinc/60/00/91/1061600091.db2.gz SJLJZAUPDFRTKE-UHFFFAOYSA-N 0 0 316.489 4.462 20 10 DICDRN Cc1cc(NCCCSc2nccs2)nc(C2CCC2)n1 ZINC001458164485 1061609155 /nfs/dbraw/zinc/60/91/55/1061609155.db2.gz XPGIIWIMUGOONW-UHFFFAOYSA-N 0 0 320.487 4.103 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H](C)CC2)cc1 ZINC001464594782 1061612243 /nfs/dbraw/zinc/61/22/43/1061612243.db2.gz DVCDZHFXAWQMHR-OAHLLOKOSA-N 0 0 310.441 4.356 20 10 DICDRN CS[C@@H]1CC[C@H]([N@H+](C)Cc2c(O)ccc3ccccc32)C1 ZINC001252248713 1061615639 /nfs/dbraw/zinc/61/56/39/1061615639.db2.gz XRCAIIULFWYCKX-LSDHHAIUSA-N 0 0 301.455 4.261 20 10 DICDRN CC1(CNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)CCC1 ZINC001458219834 1061642541 /nfs/dbraw/zinc/64/25/41/1061642541.db2.gz KPCPQZOBHOKPSQ-UHFFFAOYSA-N 0 0 324.380 4.428 20 10 DICDRN C[C@H]1COC[C@H]1NC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC001464896987 1061645792 /nfs/dbraw/zinc/64/57/92/1061645792.db2.gz BVQXFFRYSQKSIM-SUMWQHHRSA-N 0 0 324.384 4.258 20 10 DICDRN CCC[C@@H](C(=O)NCc1ccc(N(CC)CC)c(F)c1)C(C)C ZINC001465007398 1061662855 /nfs/dbraw/zinc/66/28/55/1061662855.db2.gz SHZFSCGETHNJQL-MRXNPFEDSA-N 0 0 322.468 4.360 20 10 DICDRN C/C(=C\C(=O)NCc1ccc(N(C)C)cc1C)c1ccccc1C ZINC001465028536 1061664783 /nfs/dbraw/zinc/66/47/83/1061664783.db2.gz GQYZKIDMOICCRE-GHRIWEEISA-N 0 0 322.452 4.089 20 10 DICDRN Cc1c(NC/C=C/c2ccc(N(C)C)cc2)cnn1C1CCCC1 ZINC001474129290 1061674243 /nfs/dbraw/zinc/67/42/43/1061674243.db2.gz BKOZWZFZVMLCSP-VOTSOKGWSA-N 0 0 324.472 4.498 20 10 DICDRN Cc1cccc2sc(N[C@H](C)Cc3ccc(O)c(O)c3)nc21 ZINC001458309769 1061690946 /nfs/dbraw/zinc/69/09/46/1061690946.db2.gz IXFWNQNHZAAPMO-LLVKDONJSA-N 0 0 314.410 4.059 20 10 DICDRN CCCOc1ccc(CN[C@@H](C2CC2)C(F)(F)F)cc1C ZINC001474168818 1061714913 /nfs/dbraw/zinc/71/49/13/1061714913.db2.gz LFHQRISEFZESSU-HNNXBMFYSA-N 0 0 301.352 4.214 20 10 DICDRN Cc1ccc(O)c(C(=O)Nc2cccc(N3CCC(C)CC3)c2)c1 ZINC001465309872 1061731622 /nfs/dbraw/zinc/73/16/22/1061731622.db2.gz PKTLYLDHTPZXEU-UHFFFAOYSA-N 0 0 324.424 4.189 20 10 DICDRN CC(C)[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1F ZINC001474203382 1061756960 /nfs/dbraw/zinc/75/69/60/1061756960.db2.gz OROWYLILGBAZTJ-INIZCTEOSA-N 0 0 309.331 4.296 20 10 DICDRN Cc1c2ccccc2n(C)c1CNc1ccc2c(c1)COC(=O)N2 ZINC001474210571 1061765782 /nfs/dbraw/zinc/76/57/82/1061765782.db2.gz WLECQEYPMQTENV-UHFFFAOYSA-N 0 0 321.380 4.161 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[C@@H](C)[C@@H]1C ZINC001465729653 1061803443 /nfs/dbraw/zinc/80/34/43/1061803443.db2.gz SKDWURKVGAACNT-PBHICJAKSA-N 0 0 310.441 4.273 20 10 DICDRN COc1ccc(O)c([C@H](C)NC(=O)/C(F)=C\C2CCCCC2)c1 ZINC001465993771 1061854433 /nfs/dbraw/zinc/85/44/33/1061854433.db2.gz WMCOZTSEGAGIDX-SEJMYLSOSA-N 0 0 321.392 4.012 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCCc2ccccc21 ZINC001474287507 1061856148 /nfs/dbraw/zinc/85/61/48/1061856148.db2.gz JODBQRJBESOWLW-MRXNPFEDSA-N 0 0 305.780 4.352 20 10 DICDRN Cc1cc(NCc2cccc(Cl)c2O)nc(C2CCC2)n1 ZINC001458692659 1061876337 /nfs/dbraw/zinc/87/63/37/1061876337.db2.gz FRAWYPQAHBLMCM-UHFFFAOYSA-N 0 0 303.793 4.024 20 10 DICDRN CCS[C@@H]1CCCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC001474316270 1061886413 /nfs/dbraw/zinc/88/64/13/1061886413.db2.gz MXOOGDVWXSHOLX-LLVKDONJSA-N 0 0 317.857 4.292 20 10 DICDRN CC(C)[C@H](c1ccccc1)[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC001474316033 1061886635 /nfs/dbraw/zinc/88/66/35/1061886635.db2.gz GETDNUYCAYMTTL-QGZVFWFLSA-N 0 0 305.368 4.500 20 10 DICDRN CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC001474313838 1061888211 /nfs/dbraw/zinc/88/82/11/1061888211.db2.gz FWAHWKWVOKUYQD-KRWDZBQOSA-N 0 0 319.395 4.432 20 10 DICDRN Cc1ccc(O)c(CNC(=O)Nc2cccc(C(C)(F)F)c2)c1 ZINC001466189485 1061893581 /nfs/dbraw/zinc/89/35/81/1061893581.db2.gz ZDMCPLZVCIWXKS-UHFFFAOYSA-N 0 0 320.339 4.134 20 10 DICDRN Cn1c(-c2ccccc2)cnc1SC[C@H]1CC[C@H](C2CC2)O1 ZINC001458857244 1061919833 /nfs/dbraw/zinc/91/98/33/1061919833.db2.gz PCKRTKDAAYLNLD-NVXWUHKLSA-N 0 0 314.454 4.137 20 10 DICDRN Cc1cc(C(=O)N2CC[C@@H]2C(C)C)c(C)n1-c1ccc(F)cc1 ZINC001466419285 1061937333 /nfs/dbraw/zinc/93/73/33/1061937333.db2.gz KDUUYKBJZPWLIL-GOSISDBHSA-N 0 0 314.404 4.104 20 10 DICDRN CC[N@H+](Cc1cc(F)cc(F)c1[O-])[C@H](C)c1ccc(F)cc1 ZINC001474342130 1061939893 /nfs/dbraw/zinc/93/98/93/1061939893.db2.gz PCMKZBDOXCOBHY-LLVKDONJSA-N 0 0 309.331 4.393 20 10 DICDRN C[C@@H](c1ccco1)N(Cc1cc(F)c(N(C)C)cc1F)C1CC1 ZINC001474345577 1061952616 /nfs/dbraw/zinc/95/26/16/1061952616.db2.gz RQYBNATVROCTIV-LBPRGKRZSA-N 0 0 320.383 4.349 20 10 DICDRN [O-]c1c(F)cccc1C[N@@H+]1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC001474354202 1061970379 /nfs/dbraw/zinc/97/03/79/1061970379.db2.gz MHVUCLFKIRMVND-FXAWDEMLSA-N 0 0 311.400 4.433 20 10 DICDRN Clc1cnc(SCc2noc(-c3ccsc3)n2)s1 ZINC001459192939 1062039850 /nfs/dbraw/zinc/03/98/50/1062039850.db2.gz FHNDXKRCKCUUJV-UHFFFAOYSA-N 0 0 315.832 4.200 20 10 DICDRN CC(C)[C@H]1CC[N@@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC001474393521 1062048793 /nfs/dbraw/zinc/04/87/93/1062048793.db2.gz SOKDULKDHWYHLJ-GFCCVEGCSA-N 0 0 318.642 4.038 20 10 DICDRN Cc1ccc(/C=C/C(=O)N2CCc3cc(C(C)(C)C)ccc32)cn1 ZINC001459305308 1062074630 /nfs/dbraw/zinc/07/46/30/1062074630.db2.gz XCJKVFHNJLYQHZ-JXMROGBWSA-N 0 0 320.436 4.290 20 10 DICDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1cccn1C1CC1 ZINC001474422046 1062095247 /nfs/dbraw/zinc/09/52/47/1062095247.db2.gz QPMRMWIJNRUSRO-UHFFFAOYSA-N 0 0 318.367 4.377 20 10 DICDRN [O-]c1c(C[NH2+]C2CCC3(CC3)CC2)cc(Cl)c2cccnc12 ZINC001254434663 1062098853 /nfs/dbraw/zinc/09/88/53/1062098853.db2.gz QLNQDKIXANMFOD-UHFFFAOYSA-N 0 0 316.832 4.406 20 10 DICDRN C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001474424866 1062099422 /nfs/dbraw/zinc/09/94/22/1062099422.db2.gz RZEBTZNPTXMAMS-WBMJQRKESA-N 0 0 302.805 4.024 20 10 DICDRN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccc2ncsc2c1 ZINC001474459778 1062137911 /nfs/dbraw/zinc/13/79/11/1062137911.db2.gz KVDVHSGKHUBHLJ-SECBINFHSA-N 0 0 320.364 4.131 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001467497205 1062137951 /nfs/dbraw/zinc/13/79/51/1062137951.db2.gz FPANWXJOXGIQLR-RYQLBKOJSA-N 0 0 315.457 4.347 20 10 DICDRN CC[N@H+](Cc1cc(F)c(F)cc1[O-])[C@H](C)Cc1ccsc1 ZINC001474463942 1062144417 /nfs/dbraw/zinc/14/44/17/1062144417.db2.gz CMNWPTDRPFGKGV-LLVKDONJSA-N 0 0 311.397 4.185 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]CCCc1cccc(Cl)c1 ZINC001474487144 1062165947 /nfs/dbraw/zinc/16/59/47/1062165947.db2.gz GRXSAGUEOUSFGA-UHFFFAOYSA-N 0 0 310.224 4.421 20 10 DICDRN CCc1cccc(CNc2cc(Br)cnc2C)c1O ZINC001474535603 1062222023 /nfs/dbraw/zinc/22/20/23/1062222023.db2.gz ZFZYMBQKAJJCFY-UHFFFAOYSA-N 0 0 321.218 4.033 20 10 DICDRN Cc1ccc2c(c1)[C@H]([NH2+]Cc1cc(F)c(F)cc1[O-])CCC2 ZINC001474538759 1062227769 /nfs/dbraw/zinc/22/77/69/1062227769.db2.gz YCCHTUGYBJNVBZ-QGZVFWFLSA-N 0 0 303.352 4.146 20 10 DICDRN CCCC[C@@H](CCC)CNC(=O)NCc1ccc(N(C)C)cc1 ZINC001467968859 1062237447 /nfs/dbraw/zinc/23/74/47/1062237447.db2.gz RUGZEDHMXVSHFM-MRXNPFEDSA-N 0 0 319.493 4.158 20 10 DICDRN CC[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C1CCCC1 ZINC001468000681 1062244054 /nfs/dbraw/zinc/24/40/54/1062244054.db2.gz XFQPJECUDRLZAY-LBPRGKRZSA-N 0 0 319.426 4.011 20 10 DICDRN COc1ccc(N(Cc2cccs2)Cc2nocc2C)cc1 ZINC001459661188 1062285716 /nfs/dbraw/zinc/28/57/16/1062285716.db2.gz DYPRLQXPRFPDCQ-UHFFFAOYSA-N 0 0 314.410 4.260 20 10 DICDRN FC(F)Oc1ccc2c(c1)CCCN2C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001459675998 1062296456 /nfs/dbraw/zinc/29/64/56/1062296456.db2.gz GMJOSOJTUNPECY-NFAWXSAZSA-N 0 0 307.384 4.477 20 10 DICDRN CCC[C@@H](CN1C[C@H](C(C)C)Cc2cc(OC)ccc21)OC ZINC001474590144 1062299818 /nfs/dbraw/zinc/29/98/18/1062299818.db2.gz OEGJMOLELBHUCD-AEFFLSMTSA-N 0 0 305.462 4.145 20 10 DICDRN COc1ccc([C@H](C)CN(C)c2ccc(OC)c(F)c2)cc1 ZINC001459713354 1062330544 /nfs/dbraw/zinc/33/05/44/1062330544.db2.gz AXVQIBLANTUAFV-CYBMUJFWSA-N 0 0 303.377 4.083 20 10 DICDRN Cc1cc(N(C)C)ccc1CNc1cnc2c(F)cccc2c1 ZINC001474622464 1062342358 /nfs/dbraw/zinc/34/23/58/1062342358.db2.gz XXCQQPLKIWDRAM-UHFFFAOYSA-N 0 0 309.388 4.360 20 10 DICDRN Cc1cc(C(=O)N[C@@H](C)CF)c(C)n1-c1cccc(C(C)C)c1 ZINC001468517318 1062342600 /nfs/dbraw/zinc/34/26/00/1062342600.db2.gz HGQFKHJUZRBZFU-ZDUSSCGKSA-N 0 0 316.420 4.305 20 10 DICDRN Cc1cc(O)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c(Cl)c1 ZINC001474630668 1062353229 /nfs/dbraw/zinc/35/32/29/1062353229.db2.gz PSXMJTBVZHRZTC-KDOFPFPSSA-N 0 0 323.864 4.135 20 10 DICDRN COc1ccc(N(CCCO)Cc2ccc(C(C)C)cc2)cc1 ZINC001459741900 1062353715 /nfs/dbraw/zinc/35/37/15/1062353715.db2.gz KSRWAZBMRAVJBA-UHFFFAOYSA-N 0 0 313.441 4.208 20 10 DICDRN CCN(Cc1cccc2ncccc12)c1ccc(OC)c(OC)c1 ZINC001459749687 1062357078 /nfs/dbraw/zinc/35/70/78/1062357078.db2.gz OQAVVVTVJXAVCS-UHFFFAOYSA-N 0 0 322.408 4.279 20 10 DICDRN Oc1c(F)cccc1CNc1ccc(Nc2ccccc2)cn1 ZINC001474635831 1062360563 /nfs/dbraw/zinc/36/05/63/1062360563.db2.gz CZRJOIMAUDRKNC-UHFFFAOYSA-N 0 0 309.344 4.282 20 10 DICDRN COc1ccc(N(CCOCC(C)C)Cc2ccccc2)cc1 ZINC001459749985 1062361039 /nfs/dbraw/zinc/36/10/39/1062361039.db2.gz ZYNZEAXOUCRXTG-UHFFFAOYSA-N 0 0 313.441 4.374 20 10 DICDRN [O-]c1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC001474668472 1062400681 /nfs/dbraw/zinc/40/06/81/1062400681.db2.gz SEPMQEOISATNTB-IAGOWNOFSA-N 0 0 301.817 4.472 20 10 DICDRN Cc1cc(O)c(CN[C@H](CF)c2ccc(F)cc2)cc1Cl ZINC001474674315 1062404841 /nfs/dbraw/zinc/40/48/41/1062404841.db2.gz DJGQKBQOYPCXCA-OAHLLOKOSA-N 0 0 311.759 4.294 20 10 DICDRN COc1ccc(N(Cc2scnc2Cl)C(C)C)cc1F ZINC001459793166 1062405478 /nfs/dbraw/zinc/40/54/78/1062405478.db2.gz HXOBEGNKCWWZLA-UHFFFAOYSA-N 0 0 314.813 4.359 20 10 DICDRN Cc1cc(O)c(CN2CCc3cc(F)cc(F)c3C2)c(Cl)c1 ZINC001474759424 1062465637 /nfs/dbraw/zinc/46/56/37/1062465637.db2.gz LWDVKNRXPMUHJE-UHFFFAOYSA-N 0 0 323.770 4.191 20 10 DICDRN CCCCc1ccc(NC(=O)NCc2c(O)cccc2F)cc1 ZINC001475822701 1062526095 /nfs/dbraw/zinc/52/60/95/1062526095.db2.gz RYRKIVVDQZQCLH-UHFFFAOYSA-N 0 0 316.376 4.196 20 10 DICDRN Cc1ccc(O)c(CNC(=O)Nc2c(C)cc(C)cc2Cl)c1 ZINC001475884668 1062537008 /nfs/dbraw/zinc/53/70/08/1062537008.db2.gz UYDFLZNOECWXFP-UHFFFAOYSA-N 0 0 318.804 4.293 20 10 DICDRN CC(C)(CNC(=O)N1Cc2cccc(O)c2C1)C1CCCCC1 ZINC001469445915 1062556422 /nfs/dbraw/zinc/55/64/22/1062556422.db2.gz MZNYCDCNCCDMAO-UHFFFAOYSA-N 0 0 316.445 4.024 20 10 DICDRN Cc1cc(C)c(NC(=O)NCc2cc(Cl)ccc2O)c(C)c1 ZINC001475939569 1062557532 /nfs/dbraw/zinc/55/75/32/1062557532.db2.gz SRYOAYOODXKBOW-UHFFFAOYSA-N 0 0 318.804 4.293 20 10 DICDRN CC(C)CCOc1ccc(NC(=O)C2=CC(=O)CS2)cc1F ZINC001469616350 1062588003 /nfs/dbraw/zinc/58/80/03/1062588003.db2.gz YTIPGGNOMXMCRF-UHFFFAOYSA-N 0 0 323.389 4.270 20 10 DICDRN Cc1cc(C(=O)N2CCC[C@H]3C[C@H]32)c(C)n1-c1cccc(C)c1 ZINC001469701526 1062608211 /nfs/dbraw/zinc/60/82/11/1062608211.db2.gz YIOWFIMJQHZFAN-QFBILLFUSA-N 0 0 308.425 4.027 20 10 DICDRN CCC1(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCCCC1 ZINC001469853163 1062647229 /nfs/dbraw/zinc/64/72/29/1062647229.db2.gz GZSQEPKEIDTYIO-HNNXBMFYSA-N 0 0 317.477 4.226 20 10 DICDRN CC(C)[C@@H]1CCC[C@@H](NC(=O)N[C@H](C)c2ccccc2O)CC1 ZINC001469882163 1062649682 /nfs/dbraw/zinc/64/96/82/1062649682.db2.gz FXVYIPIPFPSHMJ-BZUAXINKSA-N 0 0 318.461 4.357 20 10 DICDRN COc1ccc(N(Cc2cnn(C(C)(C)C)c2)CC2CC2)cc1 ZINC001460131486 1062651775 /nfs/dbraw/zinc/65/17/75/1062651775.db2.gz QRWGWPYDSVIFPO-UHFFFAOYSA-N 0 0 313.445 4.063 20 10 DICDRN COc1ccc(N(Cc2nc(C)c(C)s2)CC2CC2)cc1 ZINC001460134019 1062654655 /nfs/dbraw/zinc/65/46/55/1062654655.db2.gz XMEXCQJXMDSXIY-UHFFFAOYSA-N 0 0 302.443 4.185 20 10 DICDRN O=C(Nc1cccc2c1ccn2C(F)F)C1=CC(=O)CS1 ZINC001470020310 1062686275 /nfs/dbraw/zinc/68/62/75/1062686275.db2.gz KDCYSISJZTZKFO-UHFFFAOYSA-N 0 0 308.309 4.056 20 10 DICDRN CCCN(C(=O)/C(C)=C\c1cccnc1)c1ccc(CC)cc1 ZINC001460189336 1062688629 /nfs/dbraw/zinc/68/86/29/1062688629.db2.gz MIZIDFAFOYCVEO-PEZBUJJGSA-N 0 0 308.425 4.491 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](CC)C1CCCC1 ZINC001470152810 1062710617 /nfs/dbraw/zinc/71/06/17/1062710617.db2.gz KTPAIJQUXMYJHK-KRWDZBQOSA-N 0 0 318.461 4.283 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](CC)C1CCCC1 ZINC001470152811 1062710661 /nfs/dbraw/zinc/71/06/61/1062710661.db2.gz KTPAIJQUXMYJHK-QGZVFWFLSA-N 0 0 318.461 4.283 20 10 DICDRN C[C@H](NC(=O)Nc1ccc2occc2c1)c1ccc(N(C)C)cc1 ZINC001476985763 1062760582 /nfs/dbraw/zinc/76/05/82/1062760582.db2.gz RNGYYBQZSYRTKT-ZDUSSCGKSA-N 0 0 323.396 4.382 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC1CC(C)(C)C1 ZINC001470360358 1062763371 /nfs/dbraw/zinc/76/33/71/1062763371.db2.gz XTTFVJXEHLEXRN-UHFFFAOYSA-N 0 0 310.441 4.321 20 10 DICDRN Cc1ccc(C)n1-c1ccc(O)c(-c2nnc(CC(C)C)o2)c1 ZINC001256502591 1062837784 /nfs/dbraw/zinc/83/77/84/1062837784.db2.gz GFAYRZQWTONTBN-UHFFFAOYSA-N 0 0 311.385 4.048 20 10 DICDRN C[C@H](NC(=O)N[C@H]1CCCC12CCCCC2)c1ccccc1O ZINC001470792439 1062863837 /nfs/dbraw/zinc/86/38/37/1062863837.db2.gz HFPMFNCJFQCZDH-YOEHRIQHSA-N 0 0 316.445 4.255 20 10 DICDRN Cc1cc(CNC(=O)C2=CC[C@H](C)CC2)c(C)n1-c1ccccc1 ZINC001471016647 1062908691 /nfs/dbraw/zinc/90/86/91/1062908691.db2.gz DACJIZJSHULAGE-HNNXBMFYSA-N 0 0 322.452 4.457 20 10 DICDRN CC/C(=C/C(=O)N[C@@H](C)c1ccccc1O)c1ccc(C)cc1 ZINC001471194871 1062937139 /nfs/dbraw/zinc/93/71/39/1062937139.db2.gz PVPNCRBSDIFQEF-WSTOHFRZSA-N 0 0 309.409 4.371 20 10 DICDRN CC[C@H](C)[C@H](C(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC001471194416 1062938420 /nfs/dbraw/zinc/93/84/20/1062938420.db2.gz KETRKGKHWDLQED-DOXZYTNZSA-N 0 0 311.425 4.399 20 10 DICDRN C[C@H](NC(=O)c1cnc(-c2ccccc2)s1)c1ccccc1O ZINC001471195316 1062939317 /nfs/dbraw/zinc/93/93/17/1062939317.db2.gz WEEKXXIDYYXLHG-LBPRGKRZSA-N 0 0 324.405 4.007 20 10 DICDRN CCc1oc2ccccc2c1C(=O)N[C@H](C)c1ccccc1O ZINC001471196332 1062940706 /nfs/dbraw/zinc/94/07/06/1062940706.db2.gz 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Cc1cnc(F)c(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)c1 ZINC001256980988 1063068691 /nfs/dbraw/zinc/06/86/91/1063068691.db2.gz GULWQIDKGNDEKU-UHFFFAOYSA-N 0 0 320.327 4.037 20 10 DICDRN Cc1cc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)c(F)cn1 ZINC001256981022 1063068734 /nfs/dbraw/zinc/06/87/34/1063068734.db2.gz ICTXCLRKFJBIAK-UHFFFAOYSA-N 0 0 320.327 4.037 20 10 DICDRN Cc1cnc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)c(C)c1 ZINC001256978166 1063069036 /nfs/dbraw/zinc/06/90/36/1063069036.db2.gz AELPMRLUKOZGBC-UHFFFAOYSA-N 0 0 316.364 4.206 20 10 DICDRN CC(C)c1nc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)co1 ZINC001256978926 1063069576 /nfs/dbraw/zinc/06/95/76/1063069576.db2.gz XTFBSIQZOWUDAS-UHFFFAOYSA-N 0 0 320.352 4.306 20 10 DICDRN Oc1cc(F)cc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)c1 ZINC001256987363 1063070191 /nfs/dbraw/zinc/07/01/91/1063070191.db2.gz BGMMVXOMGNBVHB-UHFFFAOYSA-N 0 0 321.311 4.039 20 10 DICDRN Cc1c(F)nccc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256988083 1063071173 /nfs/dbraw/zinc/07/11/73/1063071173.db2.gz 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ZINC001461334346 1063426794 /nfs/dbraw/zinc/42/67/94/1063426794.db2.gz PMYQWGHVZUGCIG-UHFFFAOYSA-N 0 0 313.445 4.329 20 10 DICDRN CCN(CC)c1ccc(CNc2cnccc2SC)cc1F ZINC001461370699 1063452756 /nfs/dbraw/zinc/45/27/56/1063452756.db2.gz OLQVPGZLRCAMPG-UHFFFAOYSA-N 0 0 319.449 4.401 20 10 DICDRN CC[C@@H](C)n1ncc(NCc2c(O)cc(C)cc2Cl)c1C ZINC001461485299 1063531541 /nfs/dbraw/zinc/53/15/41/1063531541.db2.gz WDCJQODGJMFYAC-LLVKDONJSA-N 0 0 307.825 4.442 20 10 DICDRN CC[C@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)CC(F)(F)F ZINC001461581245 1063590605 /nfs/dbraw/zinc/59/06/05/1063590605.db2.gz QQYWHOZKXOAVGQ-QMMMGPOBSA-N 0 0 313.722 4.253 20 10 DICDRN CCOc1cccc(NCc2ccc(N3CCCCC3)cc2)n1 ZINC001461629612 1063623963 /nfs/dbraw/zinc/62/39/63/1063623963.db2.gz POTJRYQELNMJNC-UHFFFAOYSA-N 0 0 311.429 4.083 20 10 DICDRN CCCOc1cncc(NC/C=C/c2ccc(N(C)C)cc2)c1 ZINC001461643045 1063630326 /nfs/dbraw/zinc/63/03/26/1063630326.db2.gz PAFDMWHAULYCOY-AATRIKPKSA-N 0 0 311.429 4.062 20 10 DICDRN 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ZINC000526961703 336276740 /nfs/dbraw/zinc/27/67/40/336276740.db2.gz FNTBMHCMJNZIIL-UHFFFAOYSA-N 0 0 304.393 4.060 20 10 DICDRN Cc1cc(N(C)C)ccc1CNc1ccc(C(F)(F)F)cn1 ZINC000301267894 336297705 /nfs/dbraw/zinc/29/77/05/336297705.db2.gz HAORGBBBSQSKCC-UHFFFAOYSA-N 0 0 309.335 4.087 20 10 DICDRN C[C@@H](Nc1ccc(C(F)(F)F)cn1)c1ccc(N(C)C)cc1 ZINC000302410643 336358348 /nfs/dbraw/zinc/35/83/48/336358348.db2.gz MNEUJDNNLBETOG-LLVKDONJSA-N 0 0 309.335 4.340 20 10 DICDRN c1csc(Sc2nn3cc(C4CCCC4)nc3s2)n1 ZINC000302470050 336359443 /nfs/dbraw/zinc/35/94/43/336359443.db2.gz UDCZXIXLOYOFMK-UHFFFAOYSA-N 0 0 308.457 4.056 20 10 DICDRN Cc1[nH]c2ccccc2c1C1=CCN(c2cc(C)nc(C)n2)CC1 ZINC000302536977 336361145 /nfs/dbraw/zinc/36/11/45/336361145.db2.gz MTRHVFGNOJYSQG-UHFFFAOYSA-N 0 0 318.424 4.177 20 10 DICDRN C[C@H](Nc1ncc(C(F)(F)F)s1)c1ccc(N(C)C)cc1 ZINC000302761851 336368098 /nfs/dbraw/zinc/36/80/98/336368098.db2.gz KIFIIWSYSKYIAT-VIFPVBQESA-N 0 0 315.364 4.401 20 10 DICDRN Cc1cc(N(C)C)ccc1CNc1ncc(C(F)(F)F)s1 ZINC000302767969 336368347 /nfs/dbraw/zinc/36/83/47/336368347.db2.gz MCYGEDFJNOBJQH-UHFFFAOYSA-N 0 0 315.364 4.148 20 10 DICDRN Cc1[nH]c2ccccc2c1C1=CCN(c2cncc(Cl)n2)CC1 ZINC000302859992 336372163 /nfs/dbraw/zinc/37/21/63/336372163.db2.gz ONWBUSRVQSQMSO-UHFFFAOYSA-N 0 0 324.815 4.213 20 10 DICDRN Clc1ccc(C2=CCN(c3ccnc(Cl)c3)CC2)cn1 ZINC000362032177 336782644 /nfs/dbraw/zinc/78/26/44/336782644.db2.gz JIEHIFYRZZMWIA-UHFFFAOYSA-N 0 0 306.196 4.077 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000376369849 337032193 /nfs/dbraw/zinc/03/21/93/337032193.db2.gz RBWLYILZJBFGJY-UHFFFAOYSA-N 0 0 324.811 4.397 20 10 DICDRN C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccccn1)c1ccc(F)cc1[O-] ZINC000359971337 337441222 /nfs/dbraw/zinc/44/12/22/337441222.db2.gz BKLKQECMPWFQAQ-VLIAUNLRSA-N 0 0 322.383 4.367 20 10 DICDRN Cc1c2cc(OCc3nnc(C4CC4)s3)ccc2n(C)c1C ZINC000421197616 337524577 /nfs/dbraw/zinc/52/45/77/337524577.db2.gz KZGHDCQHBRPKEC-UHFFFAOYSA-N 0 0 313.426 4.103 20 10 DICDRN Oc1cccc2c1[C@@H](Nc1cccc(C3CCOCC3)c1)CC2 ZINC000527994759 337778605 /nfs/dbraw/zinc/77/86/05/337778605.db2.gz KFMFJBYLFQNNRL-SFHVURJKSA-N 0 0 309.409 4.386 20 10 DICDRN CC(C)[C@@H]1CN(Cc2c[nH]nc2-c2cccnc2)c2ccccc21 ZINC000447101641 338545456 /nfs/dbraw/zinc/54/54/56/338545456.db2.gz YCMQQPFZLYWGJR-SFHVURJKSA-N 0 0 318.424 4.232 20 10 DICDRN CCc1ccccc1NC(=O)NCc1c(C)c2ccccc2n1C ZINC000471122010 339337613 /nfs/dbraw/zinc/33/76/13/339337613.db2.gz LHRKKEPSDAYTFE-UHFFFAOYSA-N 0 0 321.424 4.371 20 10 DICDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1CC12CCCCC2 ZINC000471230392 339340643 /nfs/dbraw/zinc/34/06/43/339340643.db2.gz QERMETGUDQFCJX-MRXNPFEDSA-N 0 0 310.441 4.073 20 10 DICDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H](C)c1cccc(C)c1 ZINC000471231117 339340669 /nfs/dbraw/zinc/34/06/69/339340669.db2.gz YLJYLGVBWCQJNC-OAHLLOKOSA-N 0 0 320.436 4.215 20 10 DICDRN CSc1ccc(C(=O)NCc2c(C)c3ccccc3n2C)cc1 ZINC000471245010 339341054 /nfs/dbraw/zinc/34/10/54/339341054.db2.gz SLQSVLHPYAIMFO-UHFFFAOYSA-N 0 0 324.449 4.139 20 10 DICDRN O=C(/C=C/c1cncc(F)c1)N(Cc1ccco1)c1ccccc1 ZINC000491532134 339865603 /nfs/dbraw/zinc/86/56/03/339865603.db2.gz JGTVPQYZKQTJFR-CMDGGOBGSA-N 0 0 322.339 4.060 20 10 DICDRN Cc1cc(C)c2c(c1)N(Cc1c[nH]nc1-c1cccnc1)CCC2 ZINC000507721225 340229457 /nfs/dbraw/zinc/22/94/57/340229457.db2.gz PYHOEBUZVOQEMK-UHFFFAOYSA-N 0 0 318.424 4.041 20 10 DICDRN CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])c1cccnc1 ZINC000185660996 519795253 /nfs/dbraw/zinc/79/52/53/519795253.db2.gz PGSMVPMOUARHQT-CXAGYDPISA-N 0 0 302.393 4.017 20 10 DICDRN CCN(C(=O)Cc1ccc(N)cc1)[C@@H](C)c1cc2ccccc2o1 ZINC000237030071 519931642 /nfs/dbraw/zinc/93/16/42/519931642.db2.gz HWEJMZYJJDNQNC-AWEZNQCLSA-N 0 0 322.408 4.167 20 10 DICDRN CCN(C)c1ccc([C@@H](C)Nc2cccc(NC(C)=O)c2)cc1 ZINC000182720296 520286377 /nfs/dbraw/zinc/28/63/77/520286377.db2.gz UWIZTHVKDBQWIT-CQSZACIVSA-N 0 0 311.429 4.274 20 10 DICDRN CCN(C)c1ccc([C@@H](C)N[C@@H](COC)c2ccc(C)o2)cc1 ZINC000156398538 520286456 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CC[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cccc(Cl)c1[O-] ZINC000287295926 535809239 /nfs/dbraw/zinc/80/92/39/535809239.db2.gz CETPEYZOBPCWLY-SWLSCSKDSA-N 0 0 309.837 4.188 20 10 DICDRN CC[C@H]([NH2+]C[C@H](C)c1nc(C)cs1)c1ccc(F)cc1[O-] ZINC000286277196 535908486 /nfs/dbraw/zinc/90/84/86/535908486.db2.gz VTMSDGDOCFQBLJ-HZMBPMFUSA-N 0 0 308.422 4.141 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287281461 535938800 /nfs/dbraw/zinc/93/88/00/535938800.db2.gz BLHPLJJGZCILGE-UDZFHETQSA-N 0 0 318.244 4.307 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1ccc(F)cc1[O-] ZINC000286366128 535939599 /nfs/dbraw/zinc/93/95/99/535939599.db2.gz ZYIFTWUZWWJKQW-ZBFHGGJFSA-N 0 0 307.409 4.064 20 10 DICDRN CC[C@H]([NH2+][C@H](C)c1ccc(OC)cc1)c1ccc(F)cc1[O-] ZINC000286348956 535942070 /nfs/dbraw/zinc/94/20/70/535942070.db2.gz YRERDDJUEWYXKL-PXAZEXFGSA-N 0 0 303.377 4.342 20 10 DICDRN CC[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1[O-] ZINC000285928414 535942602 /nfs/dbraw/zinc/94/26/02/535942602.db2.gz CUMSNRMMRHISOL-ABAIWWIYSA-N 0 0 318.348 4.241 20 10 DICDRN CC[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000286882134 535947252 /nfs/dbraw/zinc/94/72/52/535947252.db2.gz CMXBDQQVIBUCKQ-HERUPUMHSA-N 0 0 318.244 4.165 20 10 DICDRN O=C1/C(=C/c2ccsc2Cl)SC(=S)N1C1CCC1 ZINC000814185232 1041787821 /nfs/dbraw/zinc/78/78/21/1041787821.db2.gz BVPIRMBBDUDBGI-TWGQIWQCSA-N 0 0 315.872 4.155 20 10 DICDRN C[C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000088506847 1046231587 /nfs/dbraw/zinc/23/15/87/1046231587.db2.gz DACAGTLFKZPENB-BXUZGUMPSA-N 0 0 312.251 4.213 20 10 DICDRN CNc1ccc(Nc2cccc(Br)c2OC)cc1 ZINC001159827482 1047932686 /nfs/dbraw/zinc/93/26/86/1047932686.db2.gz PNFUFINSXFQJOP-UHFFFAOYSA-N 0 0 307.191 4.243 20 10 DICDRN COc1ccc(N(C)C[C@]2(C)CC2(Cl)Cl)cc1Cl ZINC001191892130 1049014293 /nfs/dbraw/zinc/01/42/93/1049014293.db2.gz UKMOQRSRRKNJJP-LBPRGKRZSA-N 0 0 308.636 4.369 20 10 DICDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H](C)CC(C)(C)C)c1 ZINC001308428318 1065980953 /nfs/dbraw/zinc/98/09/53/1065980953.db2.gz UERPWUOXGDWXHA-LLVKDONJSA-N 0 0 314.267 4.377 20 10 DICDRN COCCCNC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000254950018 1035809709 /nfs/dbraw/zinc/80/97/09/1035809709.db2.gz VXVNDHPUAAKXBU-UHFFFAOYSA-N 0 0 312.373 4.260 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)Cc2ccccc2C)cc1 ZINC000728223024 1036066919 /nfs/dbraw/zinc/06/69/19/1036066919.db2.gz RWBCACTXYLYOEZ-UHFFFAOYSA-N 0 0 324.468 4.042 20 10 DICDRN CCc1ccccc1NCc1cccc(Br)c1O ZINC000042411704 1036114309 /nfs/dbraw/zinc/11/43/09/1036114309.db2.gz CFHHOBODCIANJI-UHFFFAOYSA-N 0 0 306.203 4.329 20 10 DICDRN Cc1cc(CC(=O)N(C)CC2CCCC2)c(C)n1-c1ccccc1 ZINC001625845182 1036133898 /nfs/dbraw/zinc/13/38/98/1036133898.db2.gz JDFXNZQUSBHCEJ-UHFFFAOYSA-N 0 0 324.468 4.285 20 10 DICDRN O=C(NC[C@@H]1CCCO1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255067025 1036451283 /nfs/dbraw/zinc/45/12/83/1036451283.db2.gz GLWHFFWBJKZOLF-KRWDZBQOSA-N 0 0 324.384 4.403 20 10 DICDRN C[C@H](NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12)c1ccccc1O ZINC001648891947 1036677564 /nfs/dbraw/zinc/67/75/64/1036677564.db2.gz JPWSMCRZDKQLAL-NXNVCVFFSA-N 0 0 301.430 4.176 20 10 DICDRN CCN(CC)c1ccc(CNc2ccc(NC(C)=O)cc2)cc1 ZINC000074333350 1036698141 /nfs/dbraw/zinc/69/81/41/1036698141.db2.gz QDTOBHHFOCLHQD-UHFFFAOYSA-N 0 0 311.429 4.103 20 10 DICDRN CC(=O)Nc1cccc(NCc2ccc(N3CCCCC3)cc2)c1 ZINC000079121407 1036757292 /nfs/dbraw/zinc/75/72/92/1036757292.db2.gz DBIUFGYNNURNNR-UHFFFAOYSA-N 0 0 323.440 4.247 20 10 DICDRN CCC(=O)Nc1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000083607987 1036895568 /nfs/dbraw/zinc/89/55/68/1036895568.db2.gz LZHWXEZWRXGDII-UHFFFAOYSA-N 0 0 304.777 4.006 20 10 DICDRN CCOc1cncc(N(c2ccc(N)cc2)c2ccc(N)cc2)c1 ZINC001210665343 1036908632 /nfs/dbraw/zinc/90/86/32/1036908632.db2.gz QSLUXLMXPDTOJY-UHFFFAOYSA-N 0 0 320.396 4.115 20 10 DICDRN Cc1ccccc1C1(C(=O)Nc2ccc(N)cc2)CCCCC1 ZINC000160359124 1036928843 /nfs/dbraw/zinc/92/88/43/1036928843.db2.gz LQCFIQYHEKNJLF-UHFFFAOYSA-N 0 0 308.425 4.418 20 10 DICDRN COCCCSCC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000780347574 1036951012 /nfs/dbraw/zinc/95/10/12/1036951012.db2.gz SFCOZTKUCTYAPR-UHFFFAOYSA-N 0 0 317.454 4.047 20 10 DICDRN COc1ccc(Br)c(CSc2nccs2)c1 ZINC000087799378 1037180581 /nfs/dbraw/zinc/18/05/81/1037180581.db2.gz QVDYAVYLKJCXDX-UHFFFAOYSA-N 0 0 316.245 4.207 20 10 DICDRN CN(Cc1nc2ccccc2s1)Cc1ccc(Cl)cc1O ZINC001140463273 1038080395 /nfs/dbraw/zinc/08/03/95/1038080395.db2.gz YKQKYDHGUUGEKV-UHFFFAOYSA-N 0 0 318.829 4.287 20 10 DICDRN CCN(C)C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000255382428 1038125019 /nfs/dbraw/zinc/12/50/19/1038125019.db2.gz FAKBTDACXHRBQL-UHFFFAOYSA-N 0 0 310.401 4.260 20 10 DICDRN CCC(C)(C)NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000061045446 1038177974 /nfs/dbraw/zinc/17/79/74/1038177974.db2.gz VKRKLVFMUQNHTD-UHFFFAOYSA-N 0 0 314.429 4.021 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)c1cc(C)c(C)s1 ZINC000170732275 1038191234 /nfs/dbraw/zinc/19/12/34/1038191234.db2.gz AMPSXGSKXSQLGY-UHFFFAOYSA-N 0 0 303.427 4.123 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(C)CCCCC1 ZINC000780496549 1038197890 /nfs/dbraw/zinc/19/78/90/1038197890.db2.gz IZCDXYXCXSKDTE-UHFFFAOYSA-N 0 0 302.462 4.072 20 10 DICDRN C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1ccc(F)c(F)c1[O-] ZINC000276871285 1038258961 /nfs/dbraw/zinc/25/89/61/1038258961.db2.gz DTMGWBAECSGYMQ-IDKOKCKLSA-N 0 0 323.305 4.442 20 10 DICDRN CC(C)n1ccnc1CN1CCCc2cc(OC(F)F)ccc21 ZINC000170958466 1038273441 /nfs/dbraw/zinc/27/34/41/1038273441.db2.gz QQSIYNBRQQMLOD-UHFFFAOYSA-N 0 0 321.371 4.018 20 10 DICDRN COc1cccc(C2([NH2+][C@@H](C)c3ccc(F)c(F)c3[O-])CC2)c1 ZINC000276924178 1038278837 /nfs/dbraw/zinc/27/88/37/1038278837.db2.gz NAJFQPUIHWWUJP-NSHDSACASA-N 0 0 319.351 4.019 20 10 DICDRN C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1ccc(F)c(F)c1[O-] ZINC000276933652 1038285748 /nfs/dbraw/zinc/28/57/48/1038285748.db2.gz OOIPJJWFVLZWLT-IUCAKERBSA-N 0 0 313.294 4.360 20 10 DICDRN Cc1csc(C2([NH2+][C@@H](C)c3ccc(F)c(F)c3[O-])CCC2)n1 ZINC000276937628 1038287918 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CC[C@@H]([NH2+]C[C@H](CC)OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000810258904 1041349903 /nfs/dbraw/zinc/34/99/03/1041349903.db2.gz YTIOXGQLAWCAAI-GXFFZTMASA-N 0 0 306.233 4.165 20 10 DICDRN CC(C)C(=O)Nc1cccc(NCc2cc(Cl)ccc2O)c1 ZINC000122259055 1041349654 /nfs/dbraw/zinc/34/96/54/1041349654.db2.gz NIFSHPUZBBWFDM-UHFFFAOYSA-N 0 0 318.804 4.252 20 10 DICDRN CC(C)N(C)C[C@H](C)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000810245244 1041355859 /nfs/dbraw/zinc/35/58/59/1041355859.db2.gz WDWHWFBJTVOUHQ-WDEREUQCSA-N 0 0 319.276 4.078 20 10 DICDRN C[C@H](Cc1ccccc1Cl)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000164951925 1041401634 /nfs/dbraw/zinc/40/16/34/1041401634.db2.gz DGIYGHWQIYGDAT-LLVKDONJSA-N 0 0 310.224 4.420 20 10 DICDRN COc1cc(F)c(F)cc1NCc1cc(Cl)cc(F)c1O ZINC000811512064 1041534566 /nfs/dbraw/zinc/53/45/66/1041534566.db2.gz DEVUFEUPUONDHK-UHFFFAOYSA-N 0 0 317.694 4.084 20 10 DICDRN Cc1cc(C(=O)NCC2CC(C)C2)c(C)n1-c1cccc(C)c1 ZINC001167736054 1041568369 /nfs/dbraw/zinc/56/83/69/1041568369.db2.gz 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Cc1ncc(/C=C\C(=O)N(CC2CC2)c2ccc(C)cc2)s1 ZINC001133773097 1041707980 /nfs/dbraw/zinc/70/79/80/1041707980.db2.gz RVNFHXUGGJDCJH-KTKRTIGZSA-N 0 0 312.438 4.216 20 10 DICDRN C[C@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)c1ccc(F)cc1[O-] ZINC000813872888 1041739947 /nfs/dbraw/zinc/73/99/47/1041739947.db2.gz LBXWHRCMUPLZQW-RYUDHWBXSA-N 0 0 301.352 4.398 20 10 DICDRN CC1(C)[C@@H]2C[C@H]([NH2+]Cc3cc(Cl)c4cccnc4c3[O-])C[C@@H]21 ZINC001170724622 1041765892 /nfs/dbraw/zinc/76/58/92/1041765892.db2.gz NPTPRTUBIMLJAZ-UBSAEIQESA-N 0 0 316.832 4.118 20 10 DICDRN CSC1(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000193832288 1041777020 /nfs/dbraw/zinc/77/70/20/1041777020.db2.gz ICIUYNILPRXPMU-QMMMGPOBSA-N 0 0 306.258 4.245 20 10 DICDRN CCSc1cccc(C[NH2+]Cc2cccc(Cl)c2[O-])c1 ZINC000814173479 1041779092 /nfs/dbraw/zinc/77/90/92/1041779092.db2.gz QQMTXLBQFGGFQN-UHFFFAOYSA-N 0 0 307.846 4.447 20 10 DICDRN CC[C@H](Nc1cnn(Cc2ccccc2)c1)c1ccccc1O ZINC000193927215 1041779759 /nfs/dbraw/zinc/77/97/59/1041779759.db2.gz 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/nfs/dbraw/zinc/84/20/28/1041842028.db2.gz KMZBAVOLVPSPTH-UHFFFAOYSA-N 0 0 311.759 4.346 20 10 DICDRN Cc1cc(N(C)C)ccc1CNC(=O)CC1(C)CCCCC1 ZINC001126004938 1041870215 /nfs/dbraw/zinc/87/02/15/1041870215.db2.gz RZLAXDSJVCNAET-UHFFFAOYSA-N 0 0 302.462 4.038 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)c2sccc2F)cc1 ZINC000814824655 1041872398 /nfs/dbraw/zinc/87/23/98/1041872398.db2.gz FJNAKIYSBZTPTC-UHFFFAOYSA-N 0 0 320.433 4.006 20 10 DICDRN COc1ccc(N(C)Cc2ccc(C(C)C)nc2C)cc1OC ZINC000815023563 1041903992 /nfs/dbraw/zinc/90/39/92/1041903992.db2.gz BKVGHTRBWWCGIA-UHFFFAOYSA-N 0 0 314.429 4.167 20 10 DICDRN CCc1ccc(CN(Cc2ccco2)Cc2ccccc2O)nc1 ZINC000815069607 1041910299 /nfs/dbraw/zinc/91/02/99/1041910299.db2.gz DHFFXIZWKNYFFL-UHFFFAOYSA-N 0 0 322.408 4.145 20 10 DICDRN CCN(CC)c1ccc(CNCc2c(F)cc(F)cc2F)cc1 ZINC000815152758 1041919092 /nfs/dbraw/zinc/91/90/92/1041919092.db2.gz VKBQERGRRBBWHL-UHFFFAOYSA-N 0 0 322.374 4.240 20 10 DICDRN C[C@H](Cc1ccco1)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815556450 1041961698 /nfs/dbraw/zinc/96/16/98/1041961698.db2.gz VRPJHSBXFKAAJU-MNOVXSKESA-N 0 0 313.319 4.286 20 10 DICDRN C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)c1cccc(C(F)(F)F)c1[O-] ZINC000815576734 1041965626 /nfs/dbraw/zinc/96/56/26/1041965626.db2.gz XLYUCDAJZLXGBC-AAEUAGOBSA-N 0 0 321.342 4.402 20 10 DICDRN CO[C@@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])C(C)(C)C ZINC000815585509 1041966896 /nfs/dbraw/zinc/96/68/96/1041966896.db2.gz JTKMKARDCOLYNY-GWCFXTLKSA-N 0 0 319.367 4.123 20 10 DICDRN COC(C)(C)C[C@@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815584091 1041967354 /nfs/dbraw/zinc/96/73/54/1041967354.db2.gz VJCAVJZXUHXAFL-GHMZBOCLSA-N 0 0 319.367 4.265 20 10 DICDRN CS[C@@H]1CC[C@H]([NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000815584180 1041967401 /nfs/dbraw/zinc/96/74/01/1041967401.db2.gz XNHDJOUMFSZFCB-OUAUKWLOSA-N 0 0 319.392 4.346 20 10 DICDRN COc1cc(F)c(N[C@@H](C)c2c(C)cc(C)cc2O)cc1OC ZINC000815608826 1041972718 /nfs/dbraw/zinc/97/27/18/1041972718.db2.gz NXTSZNPLGDHCLD-LBPRGKRZSA-N 0 0 319.376 4.338 20 10 DICDRN C[C@H](N[C@@H](C)C(F)(F)F)c1cccc(C(F)(F)F)c1O ZINC000815626497 1041977358 /nfs/dbraw/zinc/97/73/58/1041977358.db2.gz FTQWCPKIJOFTQQ-BQBZGAKWSA-N 0 0 301.230 4.012 20 10 DICDRN C[C@H]([NH2+]C[C@H]1CCCSC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815626602 1041977680 /nfs/dbraw/zinc/97/76/80/1041977680.db2.gz ICCKVYGDUGGLQU-WDEREUQCSA-N 0 0 319.392 4.205 20 10 DICDRN CCOCC(C)(C)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815626951 1041977750 /nfs/dbraw/zinc/97/77/50/1041977750.db2.gz PGZJARVPBJQBJN-NSHDSACASA-N 0 0 319.367 4.124 20 10 DICDRN COc1cc(N[C@@H](C)c2cc(C)ccc2O)cc(OC)c1C ZINC000815630892 1041978316 /nfs/dbraw/zinc/97/83/16/1041978316.db2.gz BPBSOQFAUOSXGN-ZDUSSCGKSA-N 0 0 301.386 4.199 20 10 DICDRN COc1cc(N[C@@H](C)c2ccc(F)cc2O)cc(OC)c1C ZINC000815631182 1041978619 /nfs/dbraw/zinc/97/86/19/1041978619.db2.gz RNLPGWAPLDMGCM-NSHDSACASA-N 0 0 305.349 4.030 20 10 DICDRN CC[C@H](Nc1cc(OC)c(C)c(OC)c1)c1ccc(F)cc1O ZINC000815631331 1041978826 /nfs/dbraw/zinc/97/88/26/1041978826.db2.gz ZGXDKRSIRXSPLQ-HNNXBMFYSA-N 0 0 319.376 4.420 20 10 DICDRN COCCOc1cccc(N[C@H](C)c2c(C)cc(C)cc2O)c1 ZINC000815603019 1041979596 /nfs/dbraw/zinc/97/95/96/1041979596.db2.gz RBCXONXKSVTTLN-OAHLLOKOSA-N 0 0 315.413 4.207 20 10 DICDRN COc1cc(CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])ccc1Cl ZINC000815657873 1041981132 /nfs/dbraw/zinc/98/11/32/1041981132.db2.gz LIPDDUSTXCJOCG-NSHDSACASA-N 0 0 323.795 4.087 20 10 DICDRN CCOC1(C[NH2+][C@H](CC)c2cccc(Cl)c2[O-])CCCC1 ZINC000815644869 1041983191 /nfs/dbraw/zinc/98/31/91/1041983191.db2.gz NZJGAVJXGPSLOU-OAHLLOKOSA-N 0 0 311.853 4.436 20 10 DICDRN CC[C@@H]([NH2+]C[C@H](OC)C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000815651629 1041985580 /nfs/dbraw/zinc/98/55/80/1041985580.db2.gz YNPVQPGDQNRBOG-OLZOCXBDSA-N 0 0 318.244 4.165 20 10 DICDRN CC[C@H]([NH2+][C@@H](CC)C(C)(C)O)c1ccc(Cl)c(Cl)c1[O-] ZINC000815651898 1041985960 /nfs/dbraw/zinc/98/59/60/1041985960.db2.gz HXYWLDXIMHSVRU-RYUDHWBXSA-N 0 0 320.260 4.289 20 10 DICDRN C[C@@H](Nc1ccc([C@H]2CCOC2)cc1)c1cc(F)cc(F)c1O ZINC000815653442 1041986946 /nfs/dbraw/zinc/98/69/46/1041986946.db2.gz MEWIVIITLPFENW-YPMHNXCESA-N 0 0 319.351 4.347 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCCC[C@@H]1C ZINC001135513107 1042042070 /nfs/dbraw/zinc/04/20/70/1042042070.db2.gz RVQBTYHCSOOIKE-WFASDCNBSA-N 0 0 316.470 4.464 20 10 DICDRN Cc1ccc(F)cc1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001135547651 1042044490 /nfs/dbraw/zinc/04/44/90/1042044490.db2.gz YKFREAVKHJGFOH-UHFFFAOYSA-N 0 0 317.341 4.012 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCSc1ccccc1 ZINC000816529762 1042061201 /nfs/dbraw/zinc/06/12/01/1042061201.db2.gz GXWQHWHKIQNKND-UHFFFAOYSA-N 0 0 311.809 4.067 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000816545272 1042063135 /nfs/dbraw/zinc/06/31/35/1042063135.db2.gz JZHKRIOQUMWQHK-UHFFFAOYSA-N 0 0 323.770 4.493 20 10 DICDRN C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816546804 1042063227 /nfs/dbraw/zinc/06/32/27/1042063227.db2.gz WSAJZMCJLLNANV-QGHHPUGFSA-N 0 0 305.780 4.208 20 10 DICDRN C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])o1 ZINC000816536252 1042063540 /nfs/dbraw/zinc/06/35/40/1042063540.db2.gz PXLPGWPYVNZPAT-BXKDBHETSA-N 0 0 309.768 4.191 20 10 DICDRN Oc1cc(F)c(Cl)cc1CNc1cccc(-c2ncco2)c1 ZINC000816527226 1042066021 /nfs/dbraw/zinc/06/60/21/1042066021.db2.gz ARDUZINGJWNILE-UHFFFAOYSA-N 0 0 318.735 4.452 20 10 DICDRN Cc1nocc1CN(C)c1ccc(OCc2ccccc2)cc1 ZINC000816584967 1042066332 /nfs/dbraw/zinc/06/63/32/1042066332.db2.gz XRWODONKGRNJTI-UHFFFAOYSA-N 0 0 308.381 4.198 20 10 DICDRN COc1c(F)cc(F)cc1NCc1ccc2ccccc2c1O ZINC000816526997 1042066351 /nfs/dbraw/zinc/06/63/51/1042066351.db2.gz VECRROJHDSUFOY-UHFFFAOYSA-N 0 0 315.319 4.444 20 10 DICDRN COc1c(Cl)cccc1NCc1cc(Cl)c(F)cc1O ZINC000816525230 1042066360 /nfs/dbraw/zinc/06/63/60/1042066360.db2.gz KZDFVBHCOZBCRM-UHFFFAOYSA-N 0 0 316.159 4.459 20 10 DICDRN CC(C)[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])c1cccnc1 ZINC000816555889 1042067880 /nfs/dbraw/zinc/06/78/80/1042067880.db2.gz SOTRUSKGTYBERY-CQSZACIVSA-N 0 0 322.811 4.109 20 10 DICDRN OCCCc1cccc(NCc2ccc3ccccc3c2O)c1 ZINC000816566917 1042068516 /nfs/dbraw/zinc/06/85/16/1042068516.db2.gz LKTGIOKJAOTDQI-UHFFFAOYSA-N 0 0 307.393 4.082 20 10 DICDRN CS[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])C(C)(C)C ZINC000816567707 1042068572 /nfs/dbraw/zinc/06/85/72/1042068572.db2.gz JVGPUKGUDGISNH-CYBMUJFWSA-N 0 0 305.846 4.052 20 10 DICDRN CCCCn1ncc(NCc2ccc3ccccc3c2O)c1C ZINC000816560164 1042069091 /nfs/dbraw/zinc/06/90/91/1042069091.db2.gz GSZMPIFPSHYNIR-UHFFFAOYSA-N 0 0 309.413 4.463 20 10 DICDRN CCCCn1ncc(NCc2cc(Cl)c(F)cc2O)c1C ZINC000816560263 1042069095 /nfs/dbraw/zinc/06/90/95/1042069095.db2.gz JSYFGJSCAWBLKK-UHFFFAOYSA-N 0 0 311.788 4.102 20 10 DICDRN Oc1c(C[NH2+]Cc2ccc3ncccc3c2)ccc2ccccc21 ZINC000816595255 1042070270 /nfs/dbraw/zinc/07/02/70/1042070270.db2.gz HBGPTRPQNJHHAZ-UHFFFAOYSA-N 0 0 314.388 4.383 20 10 DICDRN Cc1cc(Cl)cc(CNc2ccc([C@@H]3CCOC3)cc2)c1O ZINC000816656229 1042075983 /nfs/dbraw/zinc/07/59/83/1042075983.db2.gz KJKXHDBLSOQNDS-CQSZACIVSA-N 0 0 317.816 4.470 20 10 DICDRN Oc1c(F)cc(Cl)cc1CNc1ccc([C@H]2CCOC2)cc1 ZINC000816656404 1042076129 /nfs/dbraw/zinc/07/61/29/1042076129.db2.gz QMWAAUZIWLMMMY-LBPRGKRZSA-N 0 0 321.779 4.301 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)C2(F)CCCCC2)cc1 ZINC001135946244 1042114661 /nfs/dbraw/zinc/11/46/61/1042114661.db2.gz LCKKUVBADDHOOF-UHFFFAOYSA-N 0 0 320.452 4.164 20 10 DICDRN C[C@@H]([NH2+]CCCC1(O)CCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817585243 1042117307 /nfs/dbraw/zinc/11/73/07/1042117307.db2.gz DHMBYAMSVKLJAA-SNVBAGLBSA-N 0 0 318.244 4.045 20 10 DICDRN CC[C@H]([NH2+]C[C@H]1CC12CCSCC2)c1ccc(F)cc1[O-] ZINC000817588460 1042118494 /nfs/dbraw/zinc/11/84/94/1042118494.db2.gz FVLBUHIACFGXSQ-DOMZBBRYSA-N 0 0 309.450 4.105 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H]1CC12CCSCC2)c1ccc(F)cc1[O-] ZINC000817588462 1042118747 /nfs/dbraw/zinc/11/87/47/1042118747.db2.gz FVLBUHIACFGXSQ-SWLSCSKDSA-N 0 0 309.450 4.105 20 10 DICDRN Cc1cc(NCc2ccc(N3CCCCC3)cc2)nn1C(C)C ZINC000817711242 1042122666 /nfs/dbraw/zinc/12/26/66/1042122666.db2.gz XXGXUKFNURUEPZ-UHFFFAOYSA-N 0 0 312.461 4.375 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1ccccc1C ZINC000728862927 1042126605 /nfs/dbraw/zinc/12/66/05/1042126605.db2.gz RKTAYRLMCKKVDO-UHFFFAOYSA-N 0 0 324.468 4.042 20 10 DICDRN Cc1cc(Cl)cc([C@@H](C)Nc2ccc3c(c2)CCN3)c1O ZINC000817949655 1042130717 /nfs/dbraw/zinc/13/07/17/1042130717.db2.gz LLZTWNNFEDTHPK-LLVKDONJSA-N 0 0 302.805 4.495 20 10 DICDRN CCOc1ccc(O)c(CNc2ccc(Cl)cc2COC)c1 ZINC000818235989 1042144505 /nfs/dbraw/zinc/14/45/05/1042144505.db2.gz HTECDHJMOFRQHQ-UHFFFAOYSA-N 0 0 321.804 4.203 20 10 DICDRN Cc1ccncc1/C=C\C(=O)N(C)c1cc(Cl)ccc1C ZINC000818809223 1042160570 /nfs/dbraw/zinc/16/05/70/1042160570.db2.gz KBHCJZFBSVTTGW-ALCCZGGFSA-N 0 0 300.789 4.028 20 10 DICDRN CCc1cccc(N(C)Cc2cc(Cl)cc(C(C)=O)c2O)c1 ZINC001170914306 1042162680 /nfs/dbraw/zinc/16/26/80/1042162680.db2.gz FRWICVIDFPZWPK-UHFFFAOYSA-N 0 0 317.816 4.447 20 10 DICDRN CCCC[C@H](C)N(CCCC)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000818925405 1042163416 /nfs/dbraw/zinc/16/34/16/1042163416.db2.gz ZUWGJQMXQQGXQS-PABFRNLHSA-N 0 0 319.445 4.318 20 10 DICDRN CCCCCN(CCCCC)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001136274643 1042197552 /nfs/dbraw/zinc/19/75/52/1042197552.db2.gz HDQJBSJPYPJQEQ-ZRDIBKRKSA-N 0 0 319.445 4.320 20 10 DICDRN CCCCCN(CCCCC)C(=O)c1ccc(C)c(O)c1O ZINC001136275168 1042197760 /nfs/dbraw/zinc/19/77/60/1042197760.db2.gz XALJTLLUBJHHRP-UHFFFAOYSA-N 0 0 307.434 4.229 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccc(F)s2)cc1 ZINC000819974904 1042199944 /nfs/dbraw/zinc/19/99/44/1042199944.db2.gz UDKDWJNGNHTUKC-UHFFFAOYSA-N 0 0 320.433 4.006 20 10 DICDRN CNc1ccc(Nc2cc(OC(F)(F)F)ccc2OC)cc1 ZINC001159829275 1042221473 /nfs/dbraw/zinc/22/14/73/1042221473.db2.gz RDSMUZBWEAYBKQ-UHFFFAOYSA-N 0 0 312.291 4.379 20 10 DICDRN CCC(CC)[C@H](NC(=O)c1cccc(O)c1O)c1cccs1 ZINC001136365165 1042223823 /nfs/dbraw/zinc/22/38/23/1042223823.db2.gz MMTAOTSAYPITHP-HNNXBMFYSA-N 0 0 319.426 4.067 20 10 DICDRN CC(C)(C)c1cc(COc2ccc(N3CCCC3)cc2)no1 ZINC000820706764 1042224558 /nfs/dbraw/zinc/22/45/58/1042224558.db2.gz UQLNEKNDXHTMEM-UHFFFAOYSA-N 0 0 300.402 4.151 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)[C@@H](C)C(C)(C)C ZINC001136428538 1042245561 /nfs/dbraw/zinc/24/55/61/1042245561.db2.gz CHIDDHJCEYIOFH-JKSUJKDBSA-N 0 0 318.505 4.419 20 10 DICDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)NN1CCCC1 ZINC000821507909 1042254714 /nfs/dbraw/zinc/25/47/14/1042254714.db2.gz IZJINXCYCQZTCZ-UHFFFAOYSA-N 0 0 309.373 4.234 20 10 DICDRN COc1ccc(N(C)C[C@H](Cc2ccccc2)OC)cc1Cl ZINC001167881413 1042327570 /nfs/dbraw/zinc/32/75/70/1042327570.db2.gz LAUHLCFHZUOIEC-INIZCTEOSA-N 0 0 319.832 4.043 20 10 DICDRN CCC[C@@H](C)CC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC001136729976 1042330460 /nfs/dbraw/zinc/33/04/60/1042330460.db2.gz XIABVQHMAYCTJE-CQSZACIVSA-N 0 0 308.441 4.114 20 10 DICDRN CCOc1ccc(N(CC)Cc2cc(-c3ccco3)on2)cc1 ZINC000728918020 1042377759 /nfs/dbraw/zinc/37/77/59/1042377759.db2.gz RVVHJZXDEJYHOV-UHFFFAOYSA-N 0 0 312.369 4.360 20 10 DICDRN COc1ccc(N(c2ccccc2)c2ccc(N)cc2)c(CO)c1 ZINC001211747551 1042420670 /nfs/dbraw/zinc/42/06/70/1042420670.db2.gz KRNYLIKDOVWKDL-UHFFFAOYSA-N 0 0 320.392 4.240 20 10 DICDRN Cc1cc(Br)c([O-])c(C[NH2+]CC2(C)CCCC2)c1 ZINC001649244351 1042421563 /nfs/dbraw/zinc/42/15/63/1042421563.db2.gz IXCHAQUWSPUFFZ-UHFFFAOYSA-N 0 0 312.251 4.133 20 10 DICDRN CCCCCC[C@H](C)NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000728944177 1042440776 /nfs/dbraw/zinc/44/07/76/1042440776.db2.gz ODNQRORZLFRUKZ-UONOGXRCSA-N 0 0 322.449 4.120 20 10 DICDRN C[C@H]([NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C)c1ccc(F)cc1[O-] ZINC000248520552 1042441767 /nfs/dbraw/zinc/44/17/67/1042441767.db2.gz QZZZHHLJBIEBKQ-OGHNNQOOSA-N 0 0 309.425 4.023 20 10 DICDRN COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2O)o1 ZINC000137064560 1042485712 /nfs/dbraw/zinc/48/57/12/1042485712.db2.gz BVPUFSQRNHUMEN-HNNXBMFYSA-N 0 0 321.804 4.122 20 10 DICDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3ccccc3c2)c1 ZINC000728983518 1042500979 /nfs/dbraw/zinc/50/09/79/1042500979.db2.gz AERGZXBSSFZCDK-CYBMUJFWSA-N 0 0 321.376 4.045 20 10 DICDRN COc1ccc(O)c([C@H](C)Nc2ccnc(-c3ccccc3)n2)c1 ZINC000729182088 1042512666 /nfs/dbraw/zinc/51/26/66/1042512666.db2.gz MGCDOZCBGLJMKQ-ZDUSSCGKSA-N 0 0 321.380 4.031 20 10 DICDRN CN(C(=O)/C=C\c1cncc(F)c1)c1ccc2ccccc2c1 ZINC000729311815 1042519578 /nfs/dbraw/zinc/51/95/78/1042519578.db2.gz ZAXVGRHKUFHRAK-TWGQIWQCSA-N 0 0 306.340 4.050 20 10 DICDRN CCN(C(=O)/C=C/c1cncc(F)c1)c1ccc2ccccc2c1 ZINC000729352412 1042523112 /nfs/dbraw/zinc/52/31/12/1042523112.db2.gz POUMMDYUDCQFBB-JXMROGBWSA-N 0 0 320.367 4.440 20 10 DICDRN COc1ccc(N(c2ccc(N)cc2)c2cc(N)ccc2F)cc1 ZINC001211837807 1042524066 /nfs/dbraw/zinc/52/40/66/1042524066.db2.gz XLQYZRVEVQOEAJ-UHFFFAOYSA-N 0 0 323.371 4.469 20 10 DICDRN CCOCc1ccc(C[NH2+][C@H](CC)c2ccc(C)cc2O)cc1 ZINC000280065782 1042562705 /nfs/dbraw/zinc/56/27/05/1042562705.db2.gz KRBAABQNTBJEPN-LJQANCHMSA-N 0 0 313.441 4.478 20 10 DICDRN CCOc1ccc(N[C@H](CC)c2ccc(C)cc2O)cc1CO ZINC000280062080 1042562869 /nfs/dbraw/zinc/56/28/69/1042562869.db2.gz KJSZOBUUZFBMBY-QGZVFWFLSA-N 0 0 315.413 4.155 20 10 DICDRN CC[C@H]([NH2+]Cc1cccc2cccnc21)c1ccc(C)cc1O ZINC000280218966 1042566937 /nfs/dbraw/zinc/56/69/37/1042566937.db2.gz UQHREUGJVPWXMG-SFHVURJKSA-N 0 0 306.409 4.490 20 10 DICDRN CCC[C@H](CC(C)C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001269587497 1042724430 /nfs/dbraw/zinc/72/44/30/1042724430.db2.gz ICCNYKSLEAUPLE-NVXWUHKLSA-N 0 0 304.478 4.392 20 10 DICDRN C[C@H](NC(=O)C[C@H]1CCCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC001269587082 1042724608 /nfs/dbraw/zinc/72/46/08/1042724608.db2.gz ATSLTNGVBNOZIZ-YQQAZPJKSA-N 0 0 302.462 4.146 20 10 DICDRN CC1=CC[C@@](C)(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC001269588980 1042724731 /nfs/dbraw/zinc/72/47/31/1042724731.db2.gz VVLLWXHDHGMREU-DNVCBOLYSA-N 0 0 300.446 4.066 20 10 DICDRN C[C@H](NC(=O)C[C@@H]1CCCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC001269587083 1042724880 /nfs/dbraw/zinc/72/48/80/1042724880.db2.gz ATSLTNGVBNOZIZ-ZOBUZTSGSA-N 0 0 302.462 4.146 20 10 DICDRN Cc1ccc(C)c(N(C)C(=O)/C=C\c2ccc(Cl)nc2)c1 ZINC000758571305 1042756328 /nfs/dbraw/zinc/75/63/28/1042756328.db2.gz BPIORPAPRCXDSQ-CLFYSBASSA-N 0 0 300.789 4.028 20 10 DICDRN Cc1ccc([C@H](C)Nc2ccc(NC(=O)C(C)C)cc2)c(O)c1 ZINC000319808933 1042870913 /nfs/dbraw/zinc/87/09/13/1042870913.db2.gz KGGROXODXHIGBS-AWEZNQCLSA-N 0 0 312.413 4.468 20 10 DICDRN CCN(C(=O)/C=C/c1cccnc1C)c1ccc(Cl)cc1F ZINC001270402281 1042909282 /nfs/dbraw/zinc/90/92/82/1042909282.db2.gz BZIYHFAUKYZMLD-RMKNXTFCSA-N 0 0 318.779 4.249 20 10 DICDRN COc1ccc(CNc2ccccc2C(C)(F)F)c(O)c1OC ZINC000894708871 1042975039 /nfs/dbraw/zinc/97/50/39/1042975039.db2.gz XTJOHTCQMOXKTF-UHFFFAOYSA-N 0 0 323.339 4.133 20 10 DICDRN CCOc1ccc(N(CC)C[Si](C)(C)c2ccccc2)cc1 ZINC001167982598 1042975489 /nfs/dbraw/zinc/97/54/89/1042975489.db2.gz FFSIPOZLBQREKK-UHFFFAOYSA-N 0 0 313.517 4.066 20 10 DICDRN C[C@@H](Sc1nccs1)C(=O)Nc1ccc(F)cc1Cl ZINC000048874254 1042984158 /nfs/dbraw/zinc/98/41/58/1042984158.db2.gz DETWUOPBUCCAKW-SSDOTTSWSA-N 0 0 316.810 4.055 20 10 DICDRN C[C@@H]([NH2+]Cc1cccnc1F)c1cc(Cl)c(Cl)cc1[O-] ZINC000794826245 1043063170 /nfs/dbraw/zinc/06/31/70/1043063170.db2.gz BJJLQMBTTKZZIH-MRVPVSSYSA-N 0 0 315.175 4.084 20 10 DICDRN CC[C@H](Nc1ccc2c(c1)C[C@@H](OC)C2)c1ccc(C)cc1O ZINC000794818614 1043064265 /nfs/dbraw/zinc/06/42/65/1043064265.db2.gz XPHKDSNQPBRWPW-HKUYNNGSSA-N 0 0 311.425 4.377 20 10 DICDRN CC[C@@H](Nc1ccc2c(c1)C[C@H](OC)C2)c1ccc(C)cc1O ZINC000794818623 1043064667 /nfs/dbraw/zinc/06/46/67/1043064667.db2.gz XPHKDSNQPBRWPW-IEBWSBKVSA-N 0 0 311.425 4.377 20 10 DICDRN C[C@@H]([NH2+]Cc1ccc2ncccc2c1)c1cc(F)cc(F)c1[O-] ZINC000794829867 1043068235 /nfs/dbraw/zinc/06/82/35/1043068235.db2.gz RZYJQJHHYFQADC-LLVKDONJSA-N 0 0 314.335 4.069 20 10 DICDRN C[C@@H]([NH2+][C@H]1CCCc2ccc(F)cc21)c1ccc(F)cc1[O-] ZINC000794836642 1043081598 /nfs/dbraw/zinc/08/15/98/1043081598.db2.gz VDYFBIKCWUNOFR-DIFFPNOSSA-N 0 0 303.352 4.399 20 10 DICDRN CCc1nn(C)cc1N[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000777301512 1043093138 /nfs/dbraw/zinc/09/31/38/1043093138.db2.gz JMFVJQLEZWOZSS-OAHLLOKOSA-N 0 0 312.461 4.146 20 10 DICDRN CCOc1cccc(CNc2ccc(F)c(C(F)F)c2)c1O ZINC000865757905 1043132173 /nfs/dbraw/zinc/13/21/73/1043132173.db2.gz RBZNTZCTCDZGQX-UHFFFAOYSA-N 0 0 311.303 4.480 20 10 DICDRN C[C@H](Nc1cccc(C(=O)N2CCCCC2)c1)c1ccccc1O ZINC000183683818 1043168596 /nfs/dbraw/zinc/16/85/96/1043168596.db2.gz BWNLVKHNLCNDPE-HNNXBMFYSA-N 0 0 324.424 4.191 20 10 DICDRN CCOc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000185229763 1043196000 /nfs/dbraw/zinc/19/60/00/1043196000.db2.gz HUFJIJURYYXNHQ-OLZOCXBDSA-N 0 0 303.377 4.342 20 10 DICDRN C[C@H]([NH2+]Cc1ccsc1C(F)(F)F)c1ccc(F)cc1[O-] ZINC000866406263 1043198498 /nfs/dbraw/zinc/19/84/98/1043198498.db2.gz WSBVEJWYTRFVLV-QMMMGPOBSA-N 0 0 319.323 4.462 20 10 DICDRN C[C@@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1ccc(F)cc1[O-] ZINC000185374220 1043201309 /nfs/dbraw/zinc/20/13/09/1043201309.db2.gz UUTOQLHKLAQZMI-SNVBAGLBSA-N 0 0 308.422 4.136 20 10 DICDRN C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1ccc(Cl)c(Cl)c1[O-] ZINC000186075773 1043213311 /nfs/dbraw/zinc/21/33/11/1043213311.db2.gz OQMACQMWJOZNKM-VHSXEESVSA-N 0 0 320.260 4.147 20 10 DICDRN C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000186075741 1043213487 /nfs/dbraw/zinc/21/34/87/1043213487.db2.gz OQMACQMWJOZNKM-UWVGGRQHSA-N 0 0 320.260 4.147 20 10 DICDRN Cc1ccc([C@@H](C)Nc2ccc(O[C@H]3CCOC3)cc2)c(O)c1 ZINC000186321129 1043220902 /nfs/dbraw/zinc/22/09/02/1043220902.db2.gz TUYPSYMCJDHXFG-PBHICJAKSA-N 0 0 313.397 4.041 20 10 DICDRN COc1cc(F)c(N[C@H](C)c2ccc(C)cc2O)cc1OC ZINC000186362782 1043221989 /nfs/dbraw/zinc/22/19/89/1043221989.db2.gz QSTLSXJNTXOLFR-LLVKDONJSA-N 0 0 305.349 4.030 20 10 DICDRN C[C@H]([NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000866610535 1043233933 /nfs/dbraw/zinc/23/39/33/1043233933.db2.gz UZVYPWMSBOMKTE-RLCGTCKNSA-N 0 0 321.289 4.218 20 10 DICDRN C[C@@H]([NH2+]CCc1nccs1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192787067 1043274374 /nfs/dbraw/zinc/27/43/74/1043274374.db2.gz LULQXJFYOPKTBK-MRVPVSSYSA-N 0 0 317.241 4.049 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)c1cc2cnccc2o1)c1ccc(F)cc1[O-] ZINC000866621683 1043237748 /nfs/dbraw/zinc/23/77/48/1043237748.db2.gz UETLGUDBNVPFMP-XHDPSFHLSA-N 0 0 314.360 4.474 20 10 DICDRN COc1ccc(O)c(CNc2ccc(C)c(C(F)(F)F)c2)c1 ZINC000237206946 1043241711 /nfs/dbraw/zinc/24/17/11/1043241711.db2.gz NTLXSRSIJLOZDT-UHFFFAOYSA-N 0 0 311.303 4.340 20 10 DICDRN Cc1cnc(NCc2ccc(N(C)C)cc2C(F)(F)F)s1 ZINC000794941215 1043243392 /nfs/dbraw/zinc/24/33/92/1043243392.db2.gz KQZSRGSCVKCCEC-UHFFFAOYSA-N 0 0 315.364 4.148 20 10 DICDRN C[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1ccc(F)c(F)c1[O-] ZINC000187674865 1043246488 /nfs/dbraw/zinc/24/64/88/1043246488.db2.gz JVGBPXUNSNYPOQ-PSLIRLAXSA-N 0 0 307.315 4.148 20 10 DICDRN Cc1cccnc1[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])C(C)C ZINC000187721350 1043249393 /nfs/dbraw/zinc/24/93/93/1043249393.db2.gz RKGYWHNVHHVSLJ-BLLLJJGKSA-N 0 0 320.383 4.422 20 10 DICDRN CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-])c1cccnc1 ZINC000187750906 1043249650 /nfs/dbraw/zinc/24/96/50/1043249650.db2.gz HEOKMUJZZOQQMA-IUODEOHRSA-N 0 0 320.383 4.156 20 10 DICDRN Cc1ccc(C[NH+](C)C)cc1N[C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187905794 1043253490 /nfs/dbraw/zinc/25/34/90/1043253490.db2.gz OQQUYEXKQHNPOM-GFCCVEGCSA-N 0 0 320.383 4.214 20 10 DICDRN COc1ccc(N(C)Cc2ncc(-c3cccs3)o2)cc1F ZINC000121794778 1043260777 /nfs/dbraw/zinc/26/07/77/1043260777.db2.gz CNMASCCXADMNOY-UHFFFAOYSA-N 0 0 318.373 4.187 20 10 DICDRN C[C@@H]([NH2+]Cc1nccs1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192708009 1043272268 /nfs/dbraw/zinc/27/22/68/1043272268.db2.gz YINABOWERZRJNZ-SSDOTTSWSA-N 0 0 303.214 4.006 20 10 DICDRN C[C@H](NCc1ccc(N(C)C)cc1)c1ncc(-c2ccccc2)o1 ZINC000193552877 1043286207 /nfs/dbraw/zinc/28/62/07/1043286207.db2.gz VUQAHLCFBUDPKN-HNNXBMFYSA-N 0 0 321.424 4.258 20 10 DICDRN COc1cc2nc(C)sc2cc1NCc1cccc(C)c1O ZINC000777496511 1043298886 /nfs/dbraw/zinc/29/88/86/1043298886.db2.gz NPAVKHWPBRIEAX-UHFFFAOYSA-N 0 0 314.410 4.239 20 10 DICDRN CCOc1ccc(O)c(CNc2cnn(C3CCCC3)c2C)c1 ZINC000195455426 1043299235 /nfs/dbraw/zinc/29/92/35/1043299235.db2.gz WRRFKCVSCATECI-UHFFFAOYSA-N 0 0 315.417 4.023 20 10 DICDRN CC[C@H](C)CCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000795054713 1043304677 /nfs/dbraw/zinc/30/46/77/1043304677.db2.gz APVJVWIGOJAYKM-HNNXBMFYSA-N 0 0 302.462 4.070 20 10 DICDRN Cc1cc(N(C)C)ccc1C[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000122666050 1043319808 /nfs/dbraw/zinc/31/98/08/1043319808.db2.gz IVLUHIMRRSDMGR-HXUWFJFHSA-N 0 0 311.473 4.333 20 10 DICDRN Cc1nc(C)c(C(=O)CSc2ncc(C(C)(C)C)s2)o1 ZINC000269011637 1043350259 /nfs/dbraw/zinc/35/02/59/1043350259.db2.gz JIQRAUBVFJNZNT-UHFFFAOYSA-N 0 0 310.444 4.020 20 10 DICDRN Cc1csc2c1ncnc2N[C@H](C)c1ccc(N(C)C)cc1 ZINC000795141373 1043355487 /nfs/dbraw/zinc/35/54/87/1043355487.db2.gz TXJOOWOGGIAUCU-GFCCVEGCSA-N 0 0 312.442 4.239 20 10 DICDRN FC(F)c1nnc(NCc2ccc(N3CCCCC3)cc2)s1 ZINC000269316171 1043362464 /nfs/dbraw/zinc/36/24/64/1043362464.db2.gz FMQAVCLVKSPMQT-UHFFFAOYSA-N 0 0 324.400 4.078 20 10 DICDRN CCCc1ccc(CCCC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871205876 1043368685 /nfs/dbraw/zinc/36/86/85/1043368685.db2.gz MMDMAXGRVGHVSK-UHFFFAOYSA-N 0 0 323.436 4.210 20 10 DICDRN CC(C)Nc1ccccc1NCc1cnc2c(cnn2C(C)C)c1 ZINC000871846786 1043404446 /nfs/dbraw/zinc/40/44/46/1043404446.db2.gz ACJPVAZQSZBQST-UHFFFAOYSA-N 0 0 323.444 4.445 20 10 DICDRN C[C@@H](NCc1ncc(Cl)s1)c1ccc(Cl)cc1O ZINC000872111364 1043462221 /nfs/dbraw/zinc/46/22/21/1043462221.db2.gz AMQNLUXIHAFNDG-SSDOTTSWSA-N 0 0 303.214 4.006 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCc2ccccc21 ZINC000019996955 1043463982 /nfs/dbraw/zinc/46/39/82/1043463982.db2.gz KVTUMTQCKLWRBQ-OAHLLOKOSA-N 0 0 308.208 4.476 20 10 DICDRN CC[C@@H](NCc1ncc(Cl)s1)c1ccc(N(C)C)cc1 ZINC000872116725 1043465521 /nfs/dbraw/zinc/46/55/21/1043465521.db2.gz UHEGEYBHWWCSOG-CYBMUJFWSA-N 0 0 309.866 4.103 20 10 DICDRN Nc1ccc(Cc2noc(C3CC(c4ccc(F)cc4)C3)n2)cc1 ZINC000872170722 1043485510 /nfs/dbraw/zinc/48/55/10/1043485510.db2.gz KHZLGYQYFDHREC-UHFFFAOYSA-N 0 0 323.371 4.043 20 10 DICDRN CN(C)c1ccc(CNCc2c(Cl)cccc2Cl)cc1 ZINC000020005577 1043557478 /nfs/dbraw/zinc/55/74/78/1043557478.db2.gz OWKHUFNMGHENGA-UHFFFAOYSA-N 0 0 309.240 4.349 20 10 DICDRN CCC(=CC(=O)NCc1ccc(N2CCCCC2)cc1)CC ZINC000759172139 1043562775 /nfs/dbraw/zinc/56/27/75/1043562775.db2.gz QMJYYKUWCBWGTH-UHFFFAOYSA-N 0 0 300.446 4.040 20 10 DICDRN COc1ccc(N(C)Cc2ncc(Cl)cc2Cl)cc1F ZINC000777599062 1043577640 /nfs/dbraw/zinc/57/76/40/1043577640.db2.gz CWMXCPFUFGWQKO-UHFFFAOYSA-N 0 0 315.175 4.173 20 10 DICDRN COc1ccc([C@H](C)[NH2+][C@@H](C)c2c([O-])cccc2F)cc1C ZINC000926903093 1043652090 /nfs/dbraw/zinc/65/20/90/1043652090.db2.gz QYJWCRUKYAWDPF-STQMWFEESA-N 0 0 303.377 4.260 20 10 DICDRN COc1ccc(O)c([C@H](C)Nc2ccc(OC)c(Cl)c2)c1 ZINC000021507267 1043664307 /nfs/dbraw/zinc/66/43/07/1043664307.db2.gz MIDRYFVYPGKTNQ-JTQLQIEISA-N 0 0 307.777 4.236 20 10 DICDRN C[C@H]([NH2+][C@H]1CCSC2(CCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000927037510 1043671725 /nfs/dbraw/zinc/67/17/25/1043671725.db2.gz NKPOGLWMLLMMPJ-JQWIXIFHSA-N 0 0 313.413 4.139 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CCCc2cccnc21)c1ccc(F)cc1[O-] ZINC000927061969 1043678295 /nfs/dbraw/zinc/67/82/95/1043678295.db2.gz VSUDHXPVBGJINM-JKSUJKDBSA-N 0 0 300.377 4.045 20 10 DICDRN CC[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCOC1)c1cccc(Cl)c1[O-] ZINC000927068922 1043680858 /nfs/dbraw/zinc/68/08/58/1043680858.db2.gz JSSFWWXNQOMBQK-XOKHGSTOSA-N 0 0 323.864 4.292 20 10 DICDRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(N)cc1 ZINC000021814720 1043707324 /nfs/dbraw/zinc/70/73/24/1043707324.db2.gz REGGZBFSDWHGGK-SNVBAGLBSA-N 0 0 306.818 4.042 20 10 DICDRN CC(C)CCCC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000825905484 1043708622 /nfs/dbraw/zinc/70/86/22/1043708622.db2.gz NQDGGHBESWRJQH-UHFFFAOYSA-N 0 0 315.413 4.340 20 10 DICDRN COc1ccc(O)c([C@H](C)Nc2cc(Cl)ccc2OC)c1 ZINC000021817644 1043708724 /nfs/dbraw/zinc/70/87/24/1043708724.db2.gz RRRNKTRWFGFMMH-JTQLQIEISA-N 0 0 307.777 4.236 20 10 DICDRN COc1c(F)cc(F)cc1N[C@H](C)c1ccc(N(C)C)cc1 ZINC000777677819 1043736096 /nfs/dbraw/zinc/73/60/96/1043736096.db2.gz MSJQFEJKARWHHB-LLVKDONJSA-N 0 0 306.356 4.213 20 10 DICDRN Cc1cccc(O)c1CNc1cnn(CC(C)C)c1C(F)F ZINC000877166275 1043751172 /nfs/dbraw/zinc/75/11/72/1043751172.db2.gz YUBDUFPUOAFJJE-UHFFFAOYSA-N 0 0 309.360 4.103 20 10 DICDRN Cc1ccc(CN(CCC(F)(F)F)CC(F)(F)F)c(O)c1 ZINC000877486466 1043765093 /nfs/dbraw/zinc/76/50/93/1043765093.db2.gz NSIAUXHVJAVHTM-UHFFFAOYSA-N 0 0 315.257 4.017 20 10 DICDRN CSc1ccc([C@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])cc1 ZINC000877497077 1043767759 /nfs/dbraw/zinc/76/77/59/1043767759.db2.gz DQMYXXFBYMQPEF-JTQLQIEISA-N 0 0 309.381 4.243 20 10 DICDRN Cc1cc(CNCc2cc(C3CC3)no2)c(C)n1-c1ccccc1 ZINC000877657968 1043786485 /nfs/dbraw/zinc/78/64/85/1043786485.db2.gz RNVWHBPEQQQATD-UHFFFAOYSA-N 0 0 321.424 4.249 20 10 DICDRN CCCCc1ccc(NC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000929154736 1043795875 /nfs/dbraw/zinc/79/58/75/1043795875.db2.gz GJVAOZYYZGDEFW-UHFFFAOYSA-N 0 0 310.397 4.283 20 10 DICDRN CCc1cccc(CC)c1NC(=O)N1Cc2cccc(O)c2C1 ZINC000929214399 1043800862 /nfs/dbraw/zinc/80/08/62/1043800862.db2.gz ATFJPJCEEUHSIS-UHFFFAOYSA-N 0 0 310.397 4.065 20 10 DICDRN Cc1c(CN2CC(F)(F)C[C@]2(C)CF)c2ccccc2n1C ZINC001138252444 1043829582 /nfs/dbraw/zinc/82/95/82/1043829582.db2.gz HMRYSRHZPGYHOV-MRXNPFEDSA-N 0 0 310.363 4.056 20 10 DICDRN C[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000777818371 1043838674 /nfs/dbraw/zinc/83/86/74/1043838674.db2.gz HFCZMBIHLLBISF-NSHDSACASA-N 0 0 310.224 4.420 20 10 DICDRN CC(C)Oc1ccc(NC(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000878278697 1043865747 /nfs/dbraw/zinc/86/57/47/1043865747.db2.gz WCNSSEQYTVDOFI-CYBMUJFWSA-N 0 0 314.385 4.062 20 10 DICDRN C[C@H](NCc1cscn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000127294929 1043916117 /nfs/dbraw/zinc/91/61/17/1043916117.db2.gz APLLUIFTBIMBPK-ZDUSSCGKSA-N 0 0 319.449 4.123 20 10 DICDRN CCOc1ccc(N(Cc2nnc(C(C)C)o2)CC2CC2)cc1 ZINC000879117388 1043946024 /nfs/dbraw/zinc/94/60/24/1043946024.db2.gz QQXWFJADVRHSFQ-UHFFFAOYSA-N 0 0 315.417 4.008 20 10 DICDRN Cc1ccc(-c2nnc([C@H](C)N[C@@H](C)c3ccccc3O)o2)cc1 ZINC000879651578 1043978608 /nfs/dbraw/zinc/97/86/08/1043978608.db2.gz BTLYZFWWUVERKS-KBPBESRZSA-N 0 0 323.396 4.162 20 10 DICDRN Cc1ccc(-c2nnc([C@@H](C)N[C@H](C)c3ccccc3O)o2)cc1 ZINC000879648743 1043979775 /nfs/dbraw/zinc/97/97/75/1043979775.db2.gz BTLYZFWWUVERKS-ZIAGYGMSSA-N 0 0 323.396 4.162 20 10 DICDRN CC(C)Oc1cccc(NC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000879749358 1043985688 /nfs/dbraw/zinc/98/56/88/1043985688.db2.gz HHMSKFUJWQHHTG-ZDUSSCGKSA-N 0 0 314.385 4.062 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(O)c2F)cc1 ZINC000128309275 1044024215 /nfs/dbraw/zinc/02/42/15/1044024215.db2.gz XSPLFEQGFZJMEO-UHFFFAOYSA-N 0 0 324.355 4.191 20 10 DICDRN Cc1ccc2c(C3=CCN(c4nc(C)cnc4C)CC3)c[nH]c2c1 ZINC000358263046 1044044208 /nfs/dbraw/zinc/04/42/08/1044044208.db2.gz ZVWYDTNPVJVPBO-UHFFFAOYSA-N 0 0 318.424 4.177 20 10 DICDRN Cc1cccc(C)c1NC(=O)NCCCSc1nccs1 ZINC000129970944 1044188547 /nfs/dbraw/zinc/18/85/47/1044188547.db2.gz KNSKXGPGHNTNBT-UHFFFAOYSA-N 0 0 321.471 4.064 20 10 DICDRN CC(C)OCc1cccc(NCc2cc(F)cc(F)c2O)c1 ZINC000882922952 1044205164 /nfs/dbraw/zinc/20/51/64/1044205164.db2.gz SGHNWHMYTPTDBY-UHFFFAOYSA-N 0 0 307.340 4.208 20 10 DICDRN CCCN(Cc1ncc(C(C)(C)C)o1)Cc1ccccc1O ZINC000130730830 1044214035 /nfs/dbraw/zinc/21/40/35/1044214035.db2.gz QXDVHFXOZXJAEY-UHFFFAOYSA-N 0 0 302.418 4.090 20 10 DICDRN CN(C)c1ccccc1CSc1ncc(-c2ccccc2)n1C ZINC000039131288 1044238474 /nfs/dbraw/zinc/23/84/74/1044238474.db2.gz GCAUREZVKWXUMD-UHFFFAOYSA-N 0 0 323.465 4.445 20 10 DICDRN CCC(=O)N(C)c1ccc(N[C@@H](C)c2cc(F)ccc2O)cc1 ZINC000883315106 1044266921 /nfs/dbraw/zinc/26/69/21/1044266921.db2.gz XYXZPBRUZIWMLJ-LBPRGKRZSA-N 0 0 316.376 4.077 20 10 DICDRN COc1ccc(N[C@H](C)c2ccc(F)cc2O)cc1SC ZINC000840775086 1044270983 /nfs/dbraw/zinc/27/09/83/1044270983.db2.gz RNOJEESELHOCEY-SNVBAGLBSA-N 0 0 307.390 4.435 20 10 DICDRN CC[C@H]([NH2+][C@H]1C[C@@H](COC)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000883320069 1044271303 /nfs/dbraw/zinc/27/13/03/1044271303.db2.gz ZYJVOCICQXWBAX-PXWWUCIGSA-N 0 0 318.244 4.165 20 10 DICDRN Oc1cccc(Cl)c1CNc1ccc(N2CCCC2)cc1 ZINC000148123293 1044280920 /nfs/dbraw/zinc/28/09/20/1044280920.db2.gz ZBXALAVNWVFDQT-UHFFFAOYSA-N 0 0 302.805 4.258 20 10 DICDRN CC[C@](C)([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1nccs1 ZINC000293501242 1044290640 /nfs/dbraw/zinc/29/06/40/1044290640.db2.gz BLSJZZZMKFGPKO-AWEZNQCLSA-N 0 0 314.813 4.056 20 10 DICDRN CCc1nc([C@@H](C)[NH2+]Cc2cc(Cl)c(F)cc2[O-])cs1 ZINC000293522274 1044294701 /nfs/dbraw/zinc/29/47/01/1044294701.db2.gz DCPTVBOHHSSFPI-MRVPVSSYSA-N 0 0 314.813 4.054 20 10 DICDRN CC[C@@H]([NH2+]Cc1cnc(C)o1)c1cc(Cl)cc(Cl)c1[O-] ZINC000840794586 1044299520 /nfs/dbraw/zinc/29/95/20/1044299520.db2.gz MMHZLRNODDMFIL-CYBMUJFWSA-N 0 0 315.200 4.236 20 10 DICDRN COc1ccc(O)c([C@H](C)Nc2cccc(OC(F)F)c2)c1 ZINC000192763894 1044305644 /nfs/dbraw/zinc/30/56/44/1044305644.db2.gz PSJMTJWHRZIMHJ-JTQLQIEISA-N 0 0 309.312 4.175 20 10 DICDRN Cc1cc(C(=O)N2CCCCCC2)c(C)n1-c1ccc(F)cc1 ZINC000039484441 1044317232 /nfs/dbraw/zinc/31/72/32/1044317232.db2.gz GLDYUVXOGOBMTG-UHFFFAOYSA-N 0 0 314.404 4.249 20 10 DICDRN C[C@@H]([N@H+](C)Cc1cccc(Br)c1[O-])C(C)(C)C ZINC000132563180 1044328378 /nfs/dbraw/zinc/32/83/78/1044328378.db2.gz VZRTXZGJNYYCFF-SNVBAGLBSA-N 0 0 300.240 4.021 20 10 DICDRN CCCNC(=O)Nc1c(CC)cc(Br)cc1CC ZINC001202591521 1044364459 /nfs/dbraw/zinc/36/44/59/1044364459.db2.gz DQWJIEIVVQSFGF-UHFFFAOYSA-N 0 0 313.239 4.105 20 10 DICDRN CCC(=O)Nc1ccc(C)c(N[C@@H](C)c2ccc(F)cc2O)c1 ZINC000320569060 1044382584 /nfs/dbraw/zinc/38/25/84/1044382584.db2.gz PSXGDLXJDSYMIP-LBPRGKRZSA-N 0 0 316.376 4.361 20 10 DICDRN CC(=O)N(c1ccc(NCc2cccc(C)c2O)cc1)[C@H]1C[C@H]1C ZINC000294167560 1044384549 /nfs/dbraw/zinc/38/45/49/1044384549.db2.gz WGSHTZLERHIQKW-KUHUBIRLSA-N 0 0 324.424 4.074 20 10 DICDRN COc1cc(N[C@H]2CCc3cccc(O)c32)c(Cl)c(OC)c1 ZINC000840849865 1044387560 /nfs/dbraw/zinc/38/75/60/1044387560.db2.gz AZGOHQIJNIYOCT-LBPRGKRZSA-N 0 0 319.788 4.162 20 10 DICDRN CC(C)=CC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000800046836 1044407987 /nfs/dbraw/zinc/40/79/87/1044407987.db2.gz CXWJTOHLIZRRGH-CQSZACIVSA-N 0 0 320.864 4.159 20 10 DICDRN CCC(=O)Nc1ccc(N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000192999867 1044409191 /nfs/dbraw/zinc/40/91/91/1044409191.db2.gz SCUKIYCGHUPZIU-AWEZNQCLSA-N 0 0 311.429 4.274 20 10 DICDRN O=C(NCc1ccccc1O)Nc1ccc(Cl)c(Cl)c1 ZINC000133743494 1044446041 /nfs/dbraw/zinc/44/60/41/1044446041.db2.gz ZUGNEINMYLOIAR-UHFFFAOYSA-N 0 0 311.168 4.021 20 10 DICDRN CC[C@H](C)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000303057300 1044457369 /nfs/dbraw/zinc/45/73/69/1044457369.db2.gz KWBYREDCUWMOQC-HNNXBMFYSA-N 0 0 302.462 4.118 20 10 DICDRN C[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1Cl ZINC000759578298 1044474943 /nfs/dbraw/zinc/47/49/43/1044474943.db2.gz HBTJSARIDVALPX-DJYGCBNOSA-N 0 0 318.756 4.069 20 10 DICDRN CCN(CC)c1ccc(CNc2ccc(F)cc2OC)cc1 ZINC000314797219 1044536747 /nfs/dbraw/zinc/53/67/47/1044536747.db2.gz MNKFUDHLHGFBCC-UHFFFAOYSA-N 0 0 302.393 4.293 20 10 DICDRN Cc1cc(O)c(CNc2ccc(F)c([C@@H](C)O)c2)c(Cl)c1 ZINC000840947081 1044549224 /nfs/dbraw/zinc/54/92/24/1044549224.db2.gz ZUWHDQLRYCCJRG-SNVBAGLBSA-N 0 0 309.768 4.159 20 10 DICDRN CC[C@H]([NH2+]CCc1scnc1C)c1cccc(Cl)c1[O-] ZINC000296477717 1044622793 /nfs/dbraw/zinc/62/27/93/1044622793.db2.gz OBUGWPLEMGJQBB-ZDUSSCGKSA-N 0 0 310.850 4.094 20 10 DICDRN CCN(C)c1ccc([C@@H](C)NCc2cc(F)cnc2Cl)cc1 ZINC000296637875 1044637712 /nfs/dbraw/zinc/63/77/12/1044637712.db2.gz BWJJAACVWROPPH-GFCCVEGCSA-N 0 0 321.827 4.181 20 10 DICDRN COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886506148 1044651029 /nfs/dbraw/zinc/65/10/29/1044651029.db2.gz DSVGGCPPWDSVTF-MNOVXSKESA-N 0 0 307.340 4.091 20 10 DICDRN C[C@H]([NH2+][C@H]1CSCc2ccccc21)c1c([O-])cccc1F ZINC000886516639 1044653389 /nfs/dbraw/zinc/65/33/89/1044653389.db2.gz RHVMBBNLKMOCEA-NHYWBVRUSA-N 0 0 303.402 4.170 20 10 DICDRN C[C@@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)c1c([O-])cccc1F ZINC000886551536 1044658864 /nfs/dbraw/zinc/65/88/64/1044658864.db2.gz JSPTWNLVHFFQDH-KGLIPLIRSA-N 0 0 307.409 4.064 20 10 DICDRN Cc1cc(C)c(NC(=S)NNc2ccccc2)c(Cl)c1 ZINC000007325623 1044659771 /nfs/dbraw/zinc/65/97/71/1044659771.db2.gz KVWUZIIXFDKVGO-UHFFFAOYSA-N 0 0 305.834 4.270 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCCOc2c(F)cccc21)c1c([O-])cccc1F ZINC000886586390 1044664019 /nfs/dbraw/zinc/66/40/19/1044664019.db2.gz QNAPVLHMPIGRBX-IAQYHMDHSA-N 0 0 319.351 4.235 20 10 DICDRN Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886592058 1044666126 /nfs/dbraw/zinc/66/61/26/1044666126.db2.gz JQPVWLRFPCNUGP-AAEUAGOBSA-N 0 0 319.424 4.203 20 10 DICDRN Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886592059 1044667098 /nfs/dbraw/zinc/66/70/98/1044667098.db2.gz JQPVWLRFPCNUGP-DGCLKSJQSA-N 0 0 319.424 4.203 20 10 DICDRN COC[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1cccc(Cl)c1 ZINC000886610638 1044669050 /nfs/dbraw/zinc/66/90/50/1044669050.db2.gz GKQXOTYMOFPGSW-NHYWBVRUSA-N 0 0 323.795 4.223 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCCN(C)c2ccccc21)c1c([O-])cccc1F ZINC000886621995 1044669826 /nfs/dbraw/zinc/66/98/26/1044669826.db2.gz HSLBJONYKPPEOE-CZUORRHYSA-N 0 0 314.404 4.153 20 10 DICDRN C[C@H]([NH2+]Cc1cnccc1C(C)(C)C)c1c([O-])cccc1F ZINC000886625163 1044671087 /nfs/dbraw/zinc/67/10/87/1044671087.db2.gz KEGZYRXWHSAZBT-LBPRGKRZSA-N 0 0 302.393 4.075 20 10 DICDRN C[C@@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1c([O-])cccc1F ZINC000886641797 1044672182 /nfs/dbraw/zinc/67/21/82/1044672182.db2.gz SBIJOHDQUSOHGK-KZULUSFZSA-N 0 0 300.377 4.118 20 10 DICDRN C[C@@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1c([O-])cccc1F ZINC000886638263 1044672510 /nfs/dbraw/zinc/67/25/10/1044672510.db2.gz PDZHDQGKZNGGLM-LLVKDONJSA-N 0 0 319.351 4.062 20 10 DICDRN C[C@@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1c([O-])cccc1F ZINC000886641799 1044672540 /nfs/dbraw/zinc/67/25/40/1044672540.db2.gz SBIJOHDQUSOHGK-XIKOKIGWSA-N 0 0 300.377 4.118 20 10 DICDRN C[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1ccc2c(c1)CCCO2 ZINC000886639680 1044672638 /nfs/dbraw/zinc/67/26/38/1044672638.db2.gz JJGVTTXGGOUKDF-STQMWFEESA-N 0 0 315.388 4.268 20 10 DICDRN C[C@@H]([NH2+][C@H](C)c1c([O-])cccc1F)c1ccc2c(c1)CCCO2 ZINC000886639677 1044672714 /nfs/dbraw/zinc/67/27/14/1044672714.db2.gz JJGVTTXGGOUKDF-CHWSQXEVSA-N 0 0 315.388 4.268 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCO2)c1c([O-])cccc1F ZINC000886639679 1044673267 /nfs/dbraw/zinc/67/32/67/1044673267.db2.gz JJGVTTXGGOUKDF-QWHCGFSZSA-N 0 0 315.388 4.268 20 10 DICDRN CCC(=O)Nc1ccc(C)c(NCc2cc(C)c(C)cc2O)c1 ZINC000155453129 1044699358 /nfs/dbraw/zinc/69/93/58/1044699358.db2.gz JAOKVWLJAGXFEV-UHFFFAOYSA-N 0 0 312.413 4.278 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1ccc(F)cc1[O-] ZINC000367639472 1044751116 /nfs/dbraw/zinc/75/11/16/1044751116.db2.gz VNXSPJCYLYPFBC-JKSUJKDBSA-N 0 0 319.351 4.235 20 10 DICDRN Cc1ccc(NC(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)c1 ZINC001202746502 1044782825 /nfs/dbraw/zinc/78/28/25/1044782825.db2.gz XOCFTZFHAFQPNS-UHFFFAOYSA-N 0 0 311.429 4.033 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1Cc2ccccc21 ZINC000037565532 1044790745 /nfs/dbraw/zinc/79/07/45/1044790745.db2.gz XYZHJNBPGCPEQP-LLVKDONJSA-N 0 0 308.208 4.129 20 10 DICDRN CCOc1ccc(CNc2nnc(C(CC)CC)s2)c(O)c1 ZINC000777508721 1045163334 /nfs/dbraw/zinc/16/33/34/1045163334.db2.gz ORPYSLSAJDZNMF-UHFFFAOYSA-N 0 0 321.446 4.158 20 10 DICDRN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)c2ccc[nH]2)c1O ZINC000779041717 1045195911 /nfs/dbraw/zinc/19/59/11/1045195911.db2.gz UKYULBRRECTRCR-GHMZBOCLSA-N 0 0 323.234 4.203 20 10 DICDRN C[C@H](C1CC1)n1cc(N[C@H]2C[C@@H](C)c3c2c(O)ccc3F)cn1 ZINC000779057174 1045224098 /nfs/dbraw/zinc/22/40/98/1045224098.db2.gz NGRIFYJVCSPBOG-HFAKWTLXSA-N 0 0 315.392 4.359 20 10 DICDRN COc1ccc(N(Cc2ccccc2)Cc2ccc(F)nc2)cc1 ZINC000779147903 1045321025 /nfs/dbraw/zinc/32/10/25/1045321025.db2.gz DYGYMFZGMJMDCG-UHFFFAOYSA-N 0 0 322.383 4.436 20 10 DICDRN Cc1cccc(CN[C@@H](CCc2ccccc2)C(F)(F)F)c1O ZINC000779152332 1045324329 /nfs/dbraw/zinc/32/43/29/1045324329.db2.gz KTBYNAADAKXOHA-INIZCTEOSA-N 0 0 323.358 4.354 20 10 DICDRN COCCc1ccccc1NCc1ccc(N2CCCCC2)cc1 ZINC000188964343 1045341595 /nfs/dbraw/zinc/34/15/95/1045341595.db2.gz RWVJAZFZZZIZCA-UHFFFAOYSA-N 0 0 324.468 4.478 20 10 DICDRN CCN(CC)c1ccc(CN(C)Cc2cnc(Cl)s2)cc1 ZINC000750791786 1045556856 /nfs/dbraw/zinc/55/68/56/1045556856.db2.gz UZOOOVPIUHVCHY-UHFFFAOYSA-N 0 0 323.893 4.275 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)CCCc1ccccc1 ZINC000750860644 1045564052 /nfs/dbraw/zinc/56/40/52/1045564052.db2.gz AWVIBJAQYUXZST-UHFFFAOYSA-N 0 0 311.425 4.154 20 10 DICDRN CCOC(=O)Nc1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000114763265 1045566799 /nfs/dbraw/zinc/56/67/99/1045566799.db2.gz IJMBBZSRJZHUJL-UHFFFAOYSA-N 0 0 320.776 4.226 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)C2(CC)CCC2)cc1 ZINC000751223565 1045593257 /nfs/dbraw/zinc/59/32/57/1045593257.db2.gz ACFIRABOEBDPGW-UHFFFAOYSA-N 0 0 302.462 4.072 20 10 DICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC1CCC(F)(F)CC1 ZINC000800294083 1045605610 /nfs/dbraw/zinc/60/56/10/1045605610.db2.gz WLIRAQLZCUMLHW-UHFFFAOYSA-N 0 0 307.743 4.100 20 10 DICDRN CCCC[C@@H](C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000800394211 1045613348 /nfs/dbraw/zinc/61/33/48/1045613348.db2.gz AVOXZNJZDWVFOO-QGZVFWFLSA-N 0 0 316.489 4.462 20 10 DICDRN O=C1Nc2ccc(F)cc2/C1=C\c1ccc(N2CCCCC2)cc1 ZINC000751543344 1045613736 /nfs/dbraw/zinc/61/37/36/1045613736.db2.gz NJFCEOJXEOXPEN-LDADJPATSA-N 0 0 322.383 4.309 20 10 DICDRN C[C@@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1cc(F)cc(F)c1[O-] ZINC000800496230 1045633723 /nfs/dbraw/zinc/63/37/23/1045633723.db2.gz UILWMRYDZLYBRE-YMTOWFKASA-N 0 0 323.770 4.142 20 10 DICDRN C[C@@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)c1cc(F)cc(F)c1[O-] ZINC000800496228 1045634044 /nfs/dbraw/zinc/63/40/44/1045634044.db2.gz UILWMRYDZLYBRE-OTYXRUKQSA-N 0 0 323.770 4.142 20 10 DICDRN C[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)c1cc(F)cc(F)c1[O-] ZINC000800494699 1045634076 /nfs/dbraw/zinc/63/40/76/1045634076.db2.gz YWLVTFNSTBHMGZ-ZJUUUORDSA-N 0 0 305.315 4.147 20 10 DICDRN Cc1cc(C(=O)Nc2cccc(N3CCCCCC3)c2)ccc1O ZINC000779381720 1045659436 /nfs/dbraw/zinc/65/94/36/1045659436.db2.gz QLPUHQWUGDZOFJ-UHFFFAOYSA-N 0 0 324.424 4.333 20 10 DICDRN CC(C)(C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C(F)(F)F ZINC000800889461 1045662297 /nfs/dbraw/zinc/66/22/97/1045662297.db2.gz XFVTTYLZJXTSQF-UHFFFAOYSA-N 0 0 316.150 4.377 20 10 DICDRN O=C(/C=C\c1cncc(F)c1)N(CC1CCC1)c1ccccc1 ZINC000752487487 1045682656 /nfs/dbraw/zinc/68/26/56/1045682656.db2.gz GWEQXURFLWBVDS-KTKRTIGZSA-N 0 0 310.372 4.067 20 10 DICDRN CC(C)C[C@@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000752689595 1045696087 /nfs/dbraw/zinc/69/60/87/1045696087.db2.gz UDMDWPFWIFFSPT-MRXNPFEDSA-N 0 0 319.493 4.107 20 10 DICDRN O=C(/C=C\c1cccnc1)N(CC1CCCCC1)c1ccccn1 ZINC000752862176 1045709898 /nfs/dbraw/zinc/70/98/98/1045709898.db2.gz LYXSFNKOWMYXMP-QXMHVHEDSA-N 0 0 321.424 4.103 20 10 DICDRN CC(C)CCn1ncc(NCc2ccccc2O)c1C(C)C ZINC000752988326 1045721237 /nfs/dbraw/zinc/72/12/37/1045721237.db2.gz UOYUEKWAXAPUSJ-UHFFFAOYSA-N 0 0 301.434 4.370 20 10 DICDRN CCN(C[C@H]1CCC2(CCCC2)O1)c1ccc(OC)c(OC)c1 ZINC000801521632 1045730477 /nfs/dbraw/zinc/73/04/77/1045730477.db2.gz KGPPSZZOJMWYDZ-MRXNPFEDSA-N 0 0 319.445 4.022 20 10 DICDRN CC[C@H](CC(C)C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001124622121 1045734570 /nfs/dbraw/zinc/73/45/70/1045734570.db2.gz CMOZUNBDHKNAQH-GOSISDBHSA-N 0 0 316.489 4.318 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCCC1(C)C ZINC000801545880 1045735695 /nfs/dbraw/zinc/73/56/95/1045735695.db2.gz FLZCPIXWCLJUHZ-MRXNPFEDSA-N 0 0 303.446 4.347 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)/C=C/c1ccsc1 ZINC000801549291 1045735773 /nfs/dbraw/zinc/73/57/73/1045735773.db2.gz JDENYTYYFWOXDZ-CMDGGOBGSA-N 0 0 315.438 4.296 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1cscc1C ZINC000801548436 1045736029 /nfs/dbraw/zinc/73/60/29/1045736029.db2.gz GAJPNNUTFBOUPA-UHFFFAOYSA-N 0 0 303.427 4.205 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H](F)c1ccccc1 ZINC000801549018 1045737257 /nfs/dbraw/zinc/73/72/57/1045737257.db2.gz AZTVFWFLFMJYKI-SFHVURJKSA-N 0 0 315.388 4.232 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(C)ccc1F ZINC000801550023 1045738083 /nfs/dbraw/zinc/73/80/83/1045738083.db2.gz LOQUPYQHSRGLTO-UHFFFAOYSA-N 0 0 315.388 4.282 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)C1=CCCCCC1 ZINC000801550116 1045738244 /nfs/dbraw/zinc/73/82/44/1045738244.db2.gz OJZBCXCNEYNPGW-UHFFFAOYSA-N 0 0 301.430 4.411 20 10 DICDRN Cc1cc(C(=O)Nc2cc(C)ccc2F)c(C)n1-c1ccccn1 ZINC000078585672 1045745497 /nfs/dbraw/zinc/74/54/97/1045745497.db2.gz ILZIKUPYNLEQSQ-UHFFFAOYSA-N 0 0 323.371 4.189 20 10 DICDRN CCCC(CCC)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000753442804 1045753668 /nfs/dbraw/zinc/75/36/68/1045753668.db2.gz HXAMYSZIXJEZEX-UHFFFAOYSA-N 0 0 302.462 4.119 20 10 DICDRN Cc1ccc(/C=C/C(=O)N(C)c2cccc3ccccc32)cn1 ZINC000779472122 1045753943 /nfs/dbraw/zinc/75/39/43/1045753943.db2.gz QNKGLIGEUUCVKS-OUKQBFOZSA-N 0 0 302.377 4.219 20 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0 324.468 4.127 20 10 DICDRN C[C@@]1(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCOC1 ZINC000753995044 1045829516 /nfs/dbraw/zinc/82/95/16/1045829516.db2.gz PQTOVPFJXPHTSB-GOSISDBHSA-N 0 0 309.369 4.467 20 10 DICDRN CCN(C(=O)/C=C\c1ccc(C)nc1)c1ccc(Cl)cc1 ZINC000754069980 1045843532 /nfs/dbraw/zinc/84/35/32/1045843532.db2.gz GXFADWSWQYGZEJ-WDZFZDKYSA-N 0 0 300.789 4.110 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)CCCCC(C)C)cc1 ZINC001125166716 1045865255 /nfs/dbraw/zinc/86/52/55/1045865255.db2.gz MKWGZDATXZAKFF-UHFFFAOYSA-N 0 0 304.478 4.365 20 10 DICDRN CCCC1(C(=O)NCc2ccc(N(CC)CC)cc2)CCC1 ZINC001125167231 1045866246 /nfs/dbraw/zinc/86/62/46/1045866246.db2.gz UTMIGRJMBXLYIV-UHFFFAOYSA-N 0 0 302.462 4.119 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)/C=C(/C)c2ccccc2)cc1 ZINC001125166774 1045866314 /nfs/dbraw/zinc/86/63/14/1045866314.db2.gz OLVNPJMNMNTSRM-ICFOKQHNSA-N 0 0 322.452 4.253 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000801993302 1045872241 /nfs/dbraw/zinc/87/22/41/1045872241.db2.gz HAARLCLGTGAUOT-DOTOQJQBSA-N 0 0 318.461 4.283 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)NCCC(C)(C)C ZINC000801997137 1045874470 /nfs/dbraw/zinc/87/44/70/1045874470.db2.gz SUKZRDHIWYYFQY-UHFFFAOYSA-N 0 0 306.450 4.140 20 10 DICDRN Cc1ccc(/C=C/C(=O)N2C[C@H](C)CSc3ccccc32)cn1 ZINC000754386090 1045882549 /nfs/dbraw/zinc/88/25/49/1045882549.db2.gz UEIRVWYYMSXGET-HBWSCVEGSA-N 0 0 324.449 4.178 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCC1(C)C ZINC000802225555 1045924421 /nfs/dbraw/zinc/92/44/21/1045924421.db2.gz YIRTYTWTWDWLJY-QGZVFWFLSA-N 0 0 318.461 4.283 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)NCCC1=CCCC1 ZINC000802262884 1045931186 /nfs/dbraw/zinc/93/11/86/1045931186.db2.gz YTCROSPVSLLKIQ-UHFFFAOYSA-N 0 0 316.445 4.204 20 10 DICDRN CCOc1ccc(OCC)c(N[C@@H](C)c2ccccc2O)c1 ZINC000192868890 1045947417 /nfs/dbraw/zinc/94/74/17/1045947417.db2.gz MRGVQQDRZGJACP-ZDUSSCGKSA-N 0 0 301.386 4.363 20 10 DICDRN COc1ccc(O)c([C@H](C)Nc2ccccc2OC(F)F)c1 ZINC000192909011 1045952439 /nfs/dbraw/zinc/95/24/39/1045952439.db2.gz UPQGMKRANTYYAW-JTQLQIEISA-N 0 0 309.312 4.175 20 10 DICDRN C[C@@H](Nc1cccc(N2CCCC2=O)c1)c1ccc(N(C)C)cc1 ZINC000192946669 1045956115 /nfs/dbraw/zinc/95/61/15/1045956115.db2.gz HULHWOWXJCNNBU-OAHLLOKOSA-N 0 0 323.440 4.053 20 10 DICDRN CCOc1cc(N[C@@H](C)c2ccc(N(C)C)cc2)ccc1OC ZINC000193011259 1045960619 /nfs/dbraw/zinc/96/06/19/1045960619.db2.gz MXUHIPSNJKHGNF-AWEZNQCLSA-N 0 0 314.429 4.333 20 10 DICDRN O=[N+]([O-])c1cnc(SC2CCC(C(F)(F)F)CC2)s1 ZINC000829304592 1045968960 /nfs/dbraw/zinc/96/89/60/1045968960.db2.gz AUMBDALBLIZBJC-UHFFFAOYSA-N 0 0 312.338 4.265 20 10 DICDRN C[C@@H](CCC(C)(C)C)C(=O)NCCCSc1nccs1 ZINC000755318497 1045973751 /nfs/dbraw/zinc/97/37/51/1045973751.db2.gz OENWMOODGNQDAY-LBPRGKRZSA-N 0 0 314.520 4.204 20 10 DICDRN C[C@H](CCC(C)(C)C)C(=O)NCCCSc1nccs1 ZINC000755318494 1045974955 /nfs/dbraw/zinc/97/49/55/1045974955.db2.gz OENWMOODGNQDAY-GFCCVEGCSA-N 0 0 314.520 4.204 20 10 DICDRN C[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1c([O-])cccc1F ZINC001137832650 1045976946 /nfs/dbraw/zinc/97/69/46/1045976946.db2.gz CFOGYMVNGGMYMY-UHFFFAOYSA-N 0 0 314.187 4.470 20 10 DICDRN Oc1cccc(F)c1CN1CCC[C@H]1c1ccc(F)cc1F ZINC001137840070 1045980509 /nfs/dbraw/zinc/98/05/09/1045980509.db2.gz QXPOWIDGHRKSCY-INIZCTEOSA-N 0 0 307.315 4.147 20 10 DICDRN [O-]c1cccc(F)c1C[NH+]1CCC(c2ccc(F)cc2F)CC1 ZINC001137841494 1045980988 /nfs/dbraw/zinc/98/09/88/1045980988.db2.gz GMJQMQAGVRSUPQ-UHFFFAOYSA-N 0 0 321.342 4.189 20 10 DICDRN Oc1cccc(F)c1CN1CC[C@H](c2ccccc2)C(F)(F)C1 ZINC001137841890 1045981812 /nfs/dbraw/zinc/98/18/12/1045981812.db2.gz YWCIYZWTYSENSP-OAHLLOKOSA-N 0 0 321.342 4.156 20 10 DICDRN Cc1cc(CN2CCc3ncccc3C2)c(C)n1-c1ccccc1 ZINC001137857809 1045987811 /nfs/dbraw/zinc/98/78/11/1045987811.db2.gz MFESUJGFMJFUMU-UHFFFAOYSA-N 0 0 317.436 4.047 20 10 DICDRN Cc1cc(CN(C)Cc2nccs2)c(C)n1-c1ccccc1 ZINC001137859280 1045987940 /nfs/dbraw/zinc/98/79/40/1045987940.db2.gz RFCRITCZXAWVDB-UHFFFAOYSA-N 0 0 311.454 4.183 20 10 DICDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)CCC(C)(C)C)c1 ZINC000755532849 1045994576 /nfs/dbraw/zinc/99/45/76/1045994576.db2.gz UKXOQLWGSVIDPR-QWHCGFSZSA-N 0 0 307.434 4.040 20 10 DICDRN Cc1ccccc1[C@@H](NC(=O)C1=CC(=O)CS1)C(C)(C)C ZINC000755838485 1046021912 /nfs/dbraw/zinc/02/19/12/1046021912.db2.gz WGSMHQUNYSFYSI-OAHLLOKOSA-N 0 0 303.427 4.279 20 10 DICDRN CN(C)c1ccc(CN(C)Cc2c(F)ccc(F)c2Cl)cc1 ZINC001138005048 1046051062 /nfs/dbraw/zinc/05/10/62/1046051062.db2.gz OYYCTGPHUXWBHZ-UHFFFAOYSA-N 0 0 324.802 4.316 20 10 DICDRN CSC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCC1 ZINC000193645542 1046055832 /nfs/dbraw/zinc/05/58/32/1046055832.db2.gz BGSQSXKBYOKACB-UHFFFAOYSA-N 0 0 306.258 4.074 20 10 DICDRN C[C@]1(NC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCOC1 ZINC000756260787 1046061842 /nfs/dbraw/zinc/06/18/42/1046061842.db2.gz NNOLCPPUPOBQRY-SFHVURJKSA-N 0 0 324.384 4.403 20 10 DICDRN CCC[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756338825 1046064798 /nfs/dbraw/zinc/06/47/98/1046064798.db2.gz AOXMDJRPGDJNNF-RKDXNWHRSA-N 0 0 304.203 4.133 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)CCc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756343348 1046067581 /nfs/dbraw/zinc/06/75/81/1046067581.db2.gz XZSMXHQMJNDOEI-QWHCGFSZSA-N 0 0 305.368 4.342 20 10 DICDRN C[C@@H]([NH2+]Cc1ccccc1)c1cc(Br)c(F)cc1[O-] ZINC000756355259 1046069304 /nfs/dbraw/zinc/06/93/04/1046069304.db2.gz PQRNUUWTHCCRKW-SNVBAGLBSA-N 0 0 324.193 4.145 20 10 DICDRN COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756356803 1046070223 /nfs/dbraw/zinc/07/02/23/1046070223.db2.gz ITAQFCKTSJFRNW-MNOVXSKESA-N 0 0 307.340 4.091 20 10 DICDRN CC(C)COc1cccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])c1 ZINC000756455802 1046083587 /nfs/dbraw/zinc/08/35/87/1046083587.db2.gz UYWITWUYBKEDCC-CQSZACIVSA-N 0 0 317.404 4.417 20 10 DICDRN C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1cc(Br)cc(Cl)c1[O-] ZINC000756457223 1046084914 /nfs/dbraw/zinc/08/49/14/1046084914.db2.gz QQNWXHPFNMKBEX-XHNCKOQMSA-N 0 0 318.642 4.115 20 10 DICDRN CO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])C1(C)C ZINC000756646683 1046115897 /nfs/dbraw/zinc/11/58/97/1046115897.db2.gz CQSZFKGDAXLQID-JFUSQASVSA-N 0 0 318.244 4.163 20 10 DICDRN Cc1[nH]c2ccc(C[NH2+][C@H](C)c3ccc(F)cc3[O-])cc2c1C ZINC000756466386 1046087050 /nfs/dbraw/zinc/08/70/50/1046087050.db2.gz QHUXBOZWPBSYBH-CYBMUJFWSA-N 0 0 312.388 4.480 20 10 DICDRN C[C@@H]([NH2+]CCc1ccc(Cl)s1)c1cc(F)cc(F)c1[O-] ZINC000756474975 1046087292 /nfs/dbraw/zinc/08/72/92/1046087292.db2.gz FQCSQRQFRNOIPA-MRVPVSSYSA-N 0 0 317.788 4.279 20 10 DICDRN Cc1ccc([C@@H](C)Nc2cnn(Cc3ccccc3)c2)c(O)c1 ZINC000193928184 1046087585 /nfs/dbraw/zinc/08/75/85/1046087585.db2.gz AWDLWEREQIQALG-OAHLLOKOSA-N 0 0 307.397 4.119 20 10 DICDRN C[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1cc(F)cc(F)c1[O-] ZINC000756491121 1046090148 /nfs/dbraw/zinc/09/01/48/1046090148.db2.gz SUEPHXASTRSHKF-ABKXIKBNSA-N 0 0 307.315 4.148 20 10 DICDRN CC[C@H](C)N(C)CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756535494 1046095678 /nfs/dbraw/zinc/09/56/78/1046095678.db2.gz NGNVGFVYVNONHW-WDEREUQCSA-N 0 0 319.276 4.080 20 10 DICDRN CCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756536360 1046096718 /nfs/dbraw/zinc/09/67/18/1046096718.db2.gz VDQVMTVCEZIEQT-MNOVXSKESA-N 0 0 319.276 4.080 20 10 DICDRN CCN(CC)C[C@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756536366 1046096752 /nfs/dbraw/zinc/09/67/52/1046096752.db2.gz VDQVMTVCEZIEQT-WDEREUQCSA-N 0 0 319.276 4.080 20 10 DICDRN Cc1cc(C)cc([C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000756554814 1046097940 /nfs/dbraw/zinc/09/79/40/1046097940.db2.gz QAHBCGQIPPBLNZ-KBPBESRZSA-N 0 0 314.385 4.329 20 10 DICDRN CCc1nc([C@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cs1 ZINC000756571363 1046100130 /nfs/dbraw/zinc/10/01/30/1046100130.db2.gz ZCKQKYSWJDKNMK-BDAKNGLRSA-N 0 0 312.385 4.101 20 10 DICDRN CSCC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756585856 1046104869 /nfs/dbraw/zinc/10/48/69/1046104869.db2.gz NCMVIAJHWABGPA-DTWKUNHWSA-N 0 0 308.274 4.491 20 10 DICDRN Cc1ccc([C@@H](C)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000756592621 1046105828 /nfs/dbraw/zinc/10/58/28/1046105828.db2.gz JKVIWEVKAXELEF-KBPBESRZSA-N 0 0 314.385 4.063 20 10 DICDRN Cc1cccc([C@@H](C)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000756603442 1046108469 /nfs/dbraw/zinc/10/84/69/1046108469.db2.gz BUGRMOWGQAVZEJ-KBPBESRZSA-N 0 0 314.385 4.063 20 10 DICDRN C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])Sc1ccccc1 ZINC000756610492 1046110414 /nfs/dbraw/zinc/11/04/14/1046110414.db2.gz PFCICXFRHXPZGS-STQMWFEESA-N 0 0 305.418 4.363 20 10 DICDRN CCS[C@@H]1CCC[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000756635950 1046113849 /nfs/dbraw/zinc/11/38/49/1046113849.db2.gz CPRCFHAOYLVLMK-MBNYWOFBSA-N 0 0 324.446 4.015 20 10 DICDRN CCS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000756635951 1046114432 /nfs/dbraw/zinc/11/44/32/1046114432.db2.gz CPRCFHAOYLVLMK-OUCADQQQSA-N 0 0 324.446 4.015 20 10 DICDRN C[C@H]([NH2+][C@H]1CCCSC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756635977 1046114709 /nfs/dbraw/zinc/11/47/09/1046114709.db2.gz CTRRHMKOBBGOPR-IUCAKERBSA-N 0 0 306.258 4.245 20 10 DICDRN Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1F ZINC000756645835 1046116694 /nfs/dbraw/zinc/11/66/94/1046116694.db2.gz KNJQILPSVVFTOW-NEPJUHHUSA-N 0 0 318.348 4.160 20 10 DICDRN CC(C)[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1cccnc1 ZINC000756648774 1046118536 /nfs/dbraw/zinc/11/85/36/1046118536.db2.gz KGCCFVHZGFVHLM-LRDDRELGSA-N 0 0 320.383 4.156 20 10 DICDRN CC(C)[C@@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])c1cccnc1 ZINC000756648776 1046118842 /nfs/dbraw/zinc/11/88/42/1046118842.db2.gz KGCCFVHZGFVHLM-MLGOLLRUSA-N 0 0 320.383 4.156 20 10 DICDRN Cc1c(NCc2cc(Cl)ccc2O)cnn1C1CCCC1 ZINC000195455710 1046120418 /nfs/dbraw/zinc/12/04/18/1046120418.db2.gz IIZDILCFPRLAKR-UHFFFAOYSA-N 0 0 305.809 4.278 20 10 DICDRN C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1Cl)c1ccc(F)cc1[O-] ZINC000756731680 1046124230 /nfs/dbraw/zinc/12/42/30/1046124230.db2.gz HXYAVEAAQKXLGE-NWDGAFQWSA-N 0 0 323.795 4.303 20 10 DICDRN Cc1ccc(O)c([C@@H](C)NCc2c(F)c(F)cc(F)c2F)c1 ZINC000756738406 1046124405 /nfs/dbraw/zinc/12/44/05/1046124405.db2.gz GZGIBHSJLZTJNW-SECBINFHSA-N 0 0 313.294 4.108 20 10 DICDRN C[C@H]([NH2+][C@@H](Cc1ccccc1)C1CC1)c1cc(F)cc(F)c1[O-] ZINC000756739113 1046126335 /nfs/dbraw/zinc/12/63/35/1046126335.db2.gz RYRXOOZSHWBYQN-SGTLLEGYSA-N 0 0 317.379 4.342 20 10 DICDRN C[C@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756762485 1046128474 /nfs/dbraw/zinc/12/84/74/1046128474.db2.gz UMIDMTSAQPSVGX-UWVGGRQHSA-N 0 0 320.260 4.147 20 10 DICDRN Cc1c(CN2CCC[C@@H](F)C(F)(F)C2)c2ccccc2n1C ZINC001138252365 1046129882 /nfs/dbraw/zinc/12/98/82/1046129882.db2.gz DRVZDLHUUQNHNU-MRXNPFEDSA-N 0 0 310.363 4.056 20 10 DICDRN C[C@@H]([NH2+][C@H](C)C1CCC1)c1cc(Br)cc(F)c1[O-] ZINC000756769511 1046130192 /nfs/dbraw/zinc/13/01/92/1046130192.db2.gz MBLPYUKPEXFLRO-RKDXNWHRSA-N 0 0 316.214 4.133 20 10 DICDRN CCOc1cc(Cl)ccc1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756768161 1046130203 /nfs/dbraw/zinc/13/02/03/1046130203.db2.gz KKJWIXPFKJFQHF-LLVKDONJSA-N 0 0 323.795 4.434 20 10 DICDRN CO[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccccc1Cl ZINC000756762736 1046130628 /nfs/dbraw/zinc/13/06/28/1046130628.db2.gz ZIIPMRVSNFKUSH-DIFFPNOSSA-N 0 0 323.795 4.223 20 10 DICDRN CC[C@@H](CSC)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756790923 1046135599 /nfs/dbraw/zinc/13/55/99/1046135599.db2.gz PTDCZIXELMFWAC-IUCAKERBSA-N 0 0 308.274 4.491 20 10 DICDRN COc1cc(F)ccc1N[C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756793013 1046135720 /nfs/dbraw/zinc/13/57/20/1046135720.db2.gz SQIADKMPDDUPSH-RNCFNFMXSA-N 0 0 305.324 4.339 20 10 DICDRN COc1c(C)ccc(N[C@@H](C)c2cc(F)cc(F)c2O)c1C ZINC000756793530 1046135743 /nfs/dbraw/zinc/13/57/43/1046135743.db2.gz ZOPOCOTUTWCKOR-NSHDSACASA-N 0 0 307.340 4.469 20 10 DICDRN CC(=O)Nc1cccc(N[C@H]2C[C@H](C)c3c2c(O)ccc3F)c1 ZINC000756796515 1046137236 /nfs/dbraw/zinc/13/72/36/1046137236.db2.gz XOBMSNVUKTZDBY-BONVTDFDSA-N 0 0 314.360 4.150 20 10 DICDRN Cc1ccc([C@H](C)Nc2cccc(N3CCCC3=O)c2)c(O)c1C ZINC000756795596 1046137746 /nfs/dbraw/zinc/13/77/46/1046137746.db2.gz GMBURIXZLICJPJ-HNNXBMFYSA-N 0 0 324.424 4.309 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1cc(Br)cc(F)c1[O-] ZINC000756816460 1046138776 /nfs/dbraw/zinc/13/87/76/1046138776.db2.gz FJKJIDXZKNJAOP-BDAKNGLRSA-N 0 0 316.214 4.133 20 10 DICDRN CCOc1cc(N[C@@H](C)c2cc(F)cc(F)c2O)ccc1OC ZINC000756804917 1046139391 /nfs/dbraw/zinc/13/93/91/1046139391.db2.gz OPTQQZQGBJVKEE-JTQLQIEISA-N 0 0 323.339 4.251 20 10 DICDRN C[C@H]1CCC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC001138296402 1046139799 /nfs/dbraw/zinc/13/97/99/1046139799.db2.gz ZBWBSQXOPBNTEJ-JQWIXIFHSA-N 0 0 319.426 4.011 20 10 DICDRN COC(=O)c1ccc(O)c([C@H](C)Nc2cccc(Cl)c2)c1 ZINC000756818923 1046140781 /nfs/dbraw/zinc/14/07/81/1046140781.db2.gz QHOHVZGKJPKJOX-JTQLQIEISA-N 0 0 305.761 4.005 20 10 DICDRN Nc1ccc(CC(=O)Nc2ccc(NC3CCCCC3)cc2)cc1 ZINC000828045406 1046141448 /nfs/dbraw/zinc/14/14/48/1046141448.db2.gz NKNMVWSCWMHRPS-UHFFFAOYSA-N 0 0 323.440 4.195 20 10 DICDRN Cc1ccc([C@H](C)Nc2ccn(CCC(C)C)n2)c(O)c1C ZINC000756851882 1046144318 /nfs/dbraw/zinc/14/43/18/1046144318.db2.gz WFXXGCQQQYMUQB-HNNXBMFYSA-N 0 0 301.434 4.425 20 10 DICDRN Cc1ccc([C@@H](C)Nc2cnn(Cc3ccccc3)c2)c(O)c1C ZINC000756865570 1046145541 /nfs/dbraw/zinc/14/55/41/1046145541.db2.gz RJARIWPQZPRAIW-MRXNPFEDSA-N 0 0 321.424 4.427 20 10 DICDRN CCN(CC)c1ccc(N[C@H](C)c2cc(F)cc(F)c2O)cn1 ZINC000756858813 1046145550 /nfs/dbraw/zinc/14/55/50/1046145550.db2.gz WMAPBNOTDGVDTJ-LLVKDONJSA-N 0 0 321.371 4.085 20 10 DICDRN COc1cc(N[C@@H](C)c2ccc(C)c(C)c2O)cc(OC)c1 ZINC000756865628 1046145644 /nfs/dbraw/zinc/14/56/44/1046145644.db2.gz SXXPMSOPRBFWOI-ZDUSSCGKSA-N 0 0 301.386 4.199 20 10 DICDRN CC(=O)Nc1ccc(N[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)cc1 ZINC000756862161 1046146060 /nfs/dbraw/zinc/14/60/60/1046146060.db2.gz AYBMVRZWQBPZLX-MEBBXXQBSA-N 0 0 314.360 4.150 20 10 DICDRN C[C@H](Nc1ccc2c(c1)OC(C)(C)O2)c1cc(F)cc(F)c1O ZINC000756879647 1046147455 /nfs/dbraw/zinc/14/74/55/1046147455.db2.gz IUABWCZZJGTURZ-VIFPVBQESA-N 0 0 321.323 4.351 20 10 DICDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2cc(F)cc(Cl)c2)c1 ZINC000756871979 1046147919 /nfs/dbraw/zinc/14/79/19/1046147919.db2.gz OUTVDNXMVADOPN-SECBINFHSA-N 0 0 323.751 4.144 20 10 DICDRN Cc1cc(NCc2ccccc2O)cnc1N1CCCC[C@@H]1C ZINC000779985455 1046186836 /nfs/dbraw/zinc/18/68/36/1046186836.db2.gz FMIHQZWHNZPMSO-HNNXBMFYSA-N 0 0 311.429 4.087 20 10 DICDRN Cc1cc(NCc2ccccc2O)cnc1N1CCCC[C@H]1C ZINC000779985456 1046186978 /nfs/dbraw/zinc/18/69/78/1046186978.db2.gz FMIHQZWHNZPMSO-OAHLLOKOSA-N 0 0 311.429 4.087 20 10 DICDRN C[C@@H](Nc1ccc2c(c1)CCCN2C)c1cc(F)cc(F)c1O ZINC000757580879 1046187128 /nfs/dbraw/zinc/18/71/28/1046187128.db2.gz JCXYQRBMJSUUOW-LLVKDONJSA-N 0 0 318.367 4.226 20 10 DICDRN COc1c(F)cc(F)cc1N[C@H](C)c1cc(F)cc(F)c1O ZINC000757591365 1046188981 /nfs/dbraw/zinc/18/89/81/1046188981.db2.gz FAIMPEWHAWRRIM-SSDOTTSWSA-N 0 0 315.266 4.130 20 10 DICDRN COc1cc(OC)c(N[C@H](C)c2ccc(C)c(C)c2O)cc1F ZINC000757613048 1046192899 /nfs/dbraw/zinc/19/28/99/1046192899.db2.gz RQKIDWZKSAHSIN-GFCCVEGCSA-N 0 0 319.376 4.338 20 10 DICDRN C[C@@H](Nc1ccc2c(cnn2C(F)F)c1)c1cc(F)ccc1O ZINC000757620205 1046195989 /nfs/dbraw/zinc/19/59/89/1046195989.db2.gz AZGIOFGBGHSPDL-SECBINFHSA-N 0 0 321.302 4.449 20 10 DICDRN C[C@H](Nc1ccc2c(cnn2C(F)F)c1)c1cc(F)ccc1O ZINC000757620208 1046196101 /nfs/dbraw/zinc/19/61/01/1046196101.db2.gz AZGIOFGBGHSPDL-VIFPVBQESA-N 0 0 321.302 4.449 20 10 DICDRN C[C@@H](Nc1cccc2c1OCO2)c1cc2c(cc1O)CCCC2 ZINC000757656564 1046196962 /nfs/dbraw/zinc/19/69/62/1046196962.db2.gz BKZKZYLOADQBDY-GFCCVEGCSA-N 0 0 311.381 4.173 20 10 DICDRN COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1C ZINC000903233975 1046201336 /nfs/dbraw/zinc/20/13/36/1046201336.db2.gz LAFZHQIYQBRZKD-OLZOCXBDSA-N 0 0 303.377 4.260 20 10 DICDRN Cc1oc(-c2ccccc2)nc1COc1ccc(N(C)C)cc1 ZINC000757703261 1046202857 /nfs/dbraw/zinc/20/28/57/1046202857.db2.gz HNGQGQNXMIZQEL-UHFFFAOYSA-N 0 0 308.381 4.295 20 10 DICDRN COc1c(Cl)cccc1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000903245318 1046207466 /nfs/dbraw/zinc/20/74/66/1046207466.db2.gz DQZJWFMWVLRYAS-SNVBAGLBSA-N 0 0 309.768 4.044 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)NCC1(C)CCCCC1 ZINC000757743076 1046208150 /nfs/dbraw/zinc/20/81/50/1046208150.db2.gz UQOYAAUNGDRSMP-UHFFFAOYSA-N 0 0 318.461 4.284 20 10 DICDRN CC[C@H](N[C@H]1c2ccccc2OC[C@@H]1F)c1ccc(C)cc1O ZINC000903271061 1046215096 /nfs/dbraw/zinc/21/50/96/1046215096.db2.gz GWSCLKLDKWNSOR-BXWFABGCSA-N 0 0 315.388 4.213 20 10 DICDRN C[C@H](N[C@@H]1c2ccccc2OC[C@@H]1F)c1cc(Cl)ccc1O ZINC000903272269 1046215233 /nfs/dbraw/zinc/21/52/33/1046215233.db2.gz NUIJGOZFGNLQKY-RMLVOYDJSA-N 0 0 321.779 4.168 20 10 DICDRN COc1ccc(CNc2cc(C(C)C)nc(C(C)C)n2)c(O)c1 ZINC000795284139 1046239871 /nfs/dbraw/zinc/23/98/71/1046239871.db2.gz IPJBPVQRCTYEON-UHFFFAOYSA-N 0 0 315.417 4.050 20 10 DICDRN O=C(Nc1cccc2cc[nH]c21)c1cc2cc(O)c(O)cc2s1 ZINC001138612882 1046241569 /nfs/dbraw/zinc/24/15/69/1046241569.db2.gz LRWDOYWECPAEOO-UHFFFAOYSA-N 0 0 324.361 4.046 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1c(C)coc1C ZINC000803390055 1046245305 /nfs/dbraw/zinc/24/53/05/1046245305.db2.gz QDWCOPDUEQEUNS-UHFFFAOYSA-N 0 0 301.386 4.045 20 10 DICDRN CN(C)c1ccc(CN(C)Cc2cc(F)ccc2Cl)cc1 ZINC001138675315 1046261765 /nfs/dbraw/zinc/26/17/65/1046261765.db2.gz RUDJKRUSFOFKNI-UHFFFAOYSA-N 0 0 306.812 4.177 20 10 DICDRN Cc1cc(C)cc(NC(=O)NCc2cc3ccccc3cc2O)c1 ZINC001202851475 1046263204 /nfs/dbraw/zinc/26/32/04/1046263204.db2.gz HPDVYHTYQROEAU-UHFFFAOYSA-N 0 0 320.392 4.484 20 10 DICDRN Cc1cc(O)c(CNc2ccc(Br)nc2C)cc1C ZINC000758466750 1046272878 /nfs/dbraw/zinc/27/28/78/1046272878.db2.gz ISVDPEGJCVCVGB-UHFFFAOYSA-N 0 0 321.218 4.087 20 10 DICDRN Cc1cccc(N(C)C(=O)/C=C/c2ccc(Cl)nc2)c1C ZINC000758571086 1046279025 /nfs/dbraw/zinc/27/90/25/1046279025.db2.gz ASFBJQVZEIDNMN-CSKARUKUSA-N 0 0 300.789 4.028 20 10 DICDRN FC(F)(F)c1ccc(NCc2ccc(N3CCCC3)cc2)cn1 ZINC000322014567 1046283303 /nfs/dbraw/zinc/28/33/03/1046283303.db2.gz ILQSBURHVHVMOQ-UHFFFAOYSA-N 0 0 321.346 4.313 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC3(CCC3)C2)cc1 ZINC000758661981 1046284456 /nfs/dbraw/zinc/28/44/56/1046284456.db2.gz UEXCPCAFWAZCFH-UHFFFAOYSA-N 0 0 308.425 4.110 20 10 DICDRN C[C@H]1CC[C@@H](CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000759135367 1046322879 /nfs/dbraw/zinc/32/28/79/1046322879.db2.gz LBWWGWVSAQILGZ-DOTOQJQBSA-N 0 0 314.473 4.070 20 10 DICDRN C[C@H]1CC[C@@H](CC(=O)NCc2ccc(N3CCCCC3)cc2)C1 ZINC000759172578 1046329237 /nfs/dbraw/zinc/32/92/37/1046329237.db2.gz WHGXWQYVBDRPSI-FUHWJXTLSA-N 0 0 314.473 4.119 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)c1cnn(C(C)C)c1)c1ccc(F)cc1[O-] ZINC000796758592 1046329584 /nfs/dbraw/zinc/32/95/84/1046329584.db2.gz DMEPKKVBCSANCK-LRDDRELGSA-N 0 0 305.397 4.111 20 10 DICDRN Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cs1 ZINC000795397730 1046331781 /nfs/dbraw/zinc/33/17/81/1046331781.db2.gz YRONRIWTKWWNIV-UHFFFAOYSA-N 0 0 316.470 4.173 20 10 DICDRN C[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])CC(F)(F)F ZINC000396966694 1046347777 /nfs/dbraw/zinc/34/77/77/1046347777.db2.gz XFWOJHNVHFXLPP-SSDOTTSWSA-N 0 0 316.150 4.377 20 10 DICDRN CN(C)c1ccc(CNc2ccc(OCC(F)F)cc2)cc1F ZINC000748238888 1046359886 /nfs/dbraw/zinc/35/98/86/1046359886.db2.gz MEDFFLNUUNRBBO-UHFFFAOYSA-N 0 0 324.346 4.148 20 10 DICDRN Oc1ccccc1CNc1ccc(C(F)(F)F)c(Cl)n1 ZINC000748307894 1046366465 /nfs/dbraw/zinc/36/64/65/1046366465.db2.gz OZRZLFCMBAVBRS-UHFFFAOYSA-N 0 0 302.683 4.072 20 10 DICDRN O=C(NCc1ccccc1O)c1ccccc1Nc1ccccc1 ZINC000748354205 1046367053 /nfs/dbraw/zinc/36/70/53/1046367053.db2.gz GZYVXTCSVDNPOX-UHFFFAOYSA-N 0 0 318.376 4.066 20 10 DICDRN O=C(NCc1ccccc1O)Nc1ccc(Cl)cc1Cl ZINC000748438901 1046372771 /nfs/dbraw/zinc/37/27/71/1046372771.db2.gz RZEYQQIMNZNXJI-UHFFFAOYSA-N 0 0 311.168 4.021 20 10 DICDRN CC(C)(C)c1cnc(SCC(=O)c2ccc(O)cc2)s1 ZINC000759713285 1046374983 /nfs/dbraw/zinc/37/49/83/1046374983.db2.gz IHLNAWSGQRPTSD-UHFFFAOYSA-N 0 0 307.440 4.121 20 10 DICDRN O=C(NCc1ccccc1O)Nc1ccccc1SC(F)F ZINC000748442873 1046375761 /nfs/dbraw/zinc/37/57/61/1046375761.db2.gz LCQOTMLMJNNZAC-UHFFFAOYSA-N 0 0 324.352 4.029 20 10 DICDRN CCC(CC)NC(=O)[C@@H](C)Sc1ncc(C(C)(C)C)s1 ZINC000759719050 1046376347 /nfs/dbraw/zinc/37/63/47/1046376347.db2.gz ROWONQLHQKBKGF-SNVBAGLBSA-N 0 0 314.520 4.226 20 10 DICDRN CC(=O)c1cc(Cl)cc(C[NH+](C2CCC2)C2CCC2)c1[O-] ZINC000795457963 1046379662 /nfs/dbraw/zinc/37/96/62/1046379662.db2.gz JAULHFKKRLGKLU-UHFFFAOYSA-N 0 0 307.821 4.155 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC000780458637 1046387312 /nfs/dbraw/zinc/38/73/12/1046387312.db2.gz VLZLRZSIPKRKMU-GJZGRUSLSA-N 0 0 303.446 4.203 20 10 DICDRN C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000780793580 1046406531 /nfs/dbraw/zinc/40/65/31/1046406531.db2.gz RTGOCNUFFWUVEP-KOLCDFICSA-N 0 0 307.743 4.208 20 10 DICDRN CC1(C(=O)NCCCSc2nccs2)CCCCCC1 ZINC000781337104 1046441219 /nfs/dbraw/zinc/44/12/19/1046441219.db2.gz WQWJWKYYOZAUAJ-UHFFFAOYSA-N 0 0 312.504 4.102 20 10 DICDRN CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001202929918 1046442270 /nfs/dbraw/zinc/44/22/70/1046442270.db2.gz QOGDVOVOUHNRBO-TXEJJXNPSA-N 0 0 318.244 4.135 20 10 DICDRN CC1(C)CC[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)C1 ZINC000781683327 1046468562 /nfs/dbraw/zinc/46/85/62/1046468562.db2.gz AFBBLTUWGDPINR-KRWDZBQOSA-N 0 0 314.473 4.119 20 10 DICDRN CCn1ccnc1CN(C)c1ccc(OCc2ccccc2)cc1 ZINC000781963528 1046489673 /nfs/dbraw/zinc/48/96/73/1046489673.db2.gz ITYNMIVYTQJQKD-UHFFFAOYSA-N 0 0 321.424 4.118 20 10 DICDRN CCN(CC)c1ccc(CNc2ccn(C(C)C)n2)cc1F ZINC000795588137 1046493750 /nfs/dbraw/zinc/49/37/50/1046493750.db2.gz PKLFNPRQFHSASE-UHFFFAOYSA-N 0 0 304.413 4.061 20 10 DICDRN Cc1cc(CN(C)[C@H](C2CCC2)C(F)(F)F)ccc1N(C)C ZINC001139673791 1046497279 /nfs/dbraw/zinc/49/72/79/1046497279.db2.gz JQEXRXCWFVDWMU-MRXNPFEDSA-N 0 0 314.395 4.224 20 10 DICDRN CCN(Cc1ccccc1O)C(=O)Nc1c(C)cc(C)cc1C ZINC001202959272 1046498624 /nfs/dbraw/zinc/49/86/24/1046498624.db2.gz PPKRAYOBSYMNDZ-UHFFFAOYSA-N 0 0 312.413 4.371 20 10 DICDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001139685399 1046500287 /nfs/dbraw/zinc/50/02/87/1046500287.db2.gz YAHZERIVTSMQEC-HNNXBMFYSA-N 0 0 317.379 4.125 20 10 DICDRN CO[C@H](C)CSCC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000782246576 1046510801 /nfs/dbraw/zinc/51/08/01/1046510801.db2.gz VGQYCSNBEGAXKV-CQSZACIVSA-N 0 0 317.454 4.045 20 10 DICDRN Fc1ccc(Br)c(CSc2nccs2)c1 ZINC000729643109 1046516150 /nfs/dbraw/zinc/51/61/50/1046516150.db2.gz NCNSARHTIWHGEA-UHFFFAOYSA-N 0 0 304.209 4.337 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCC1(C)CC1 ZINC001139988514 1046563035 /nfs/dbraw/zinc/56/30/35/1046563035.db2.gz AGTSYVOKZNQRQW-UHFFFAOYSA-N 0 0 302.443 4.076 20 10 DICDRN Cc1cc(C(=O)Nc2nccs2)c(C)n1-c1cccc(C)c1 ZINC000248134322 1046563559 /nfs/dbraw/zinc/56/35/59/1046563559.db2.gz YIJYQBDBVUGWBO-UHFFFAOYSA-N 0 0 311.410 4.111 20 10 DICDRN CCN(C)c1ccc([C@@H](C)Nc2ccc(F)c(OC)c2)cc1 ZINC000783306697 1046577226 /nfs/dbraw/zinc/57/72/26/1046577226.db2.gz KRLGXXQIBUAYCV-CYBMUJFWSA-N 0 0 302.393 4.464 20 10 DICDRN Oc1ccc(F)cc1CN1CC[C@@H](c2ccccc2)C(F)(F)C1 ZINC001140056083 1046577242 /nfs/dbraw/zinc/57/72/42/1046577242.db2.gz HNCKVLJRVZZTSQ-INIZCTEOSA-N 0 0 321.342 4.156 20 10 DICDRN Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC001140058755 1046578392 /nfs/dbraw/zinc/57/83/92/1046578392.db2.gz KXROUOGLLJWBHJ-HNNXBMFYSA-N 0 0 317.379 4.125 20 10 DICDRN Oc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1c1ccccc1F ZINC001140055185 1046578706 /nfs/dbraw/zinc/57/87/06/1046578706.db2.gz BAYCWMURWIKEIZ-QGZVFWFLSA-N 0 0 303.352 4.398 20 10 DICDRN COc1cccc([C@H]2CCCC[N@@H+]2Cc2cc(F)ccc2O)c1 ZINC001140055018 1046579159 /nfs/dbraw/zinc/57/91/59/1046579159.db2.gz DSGFKTYLQJYAJX-GOSISDBHSA-N 0 0 315.388 4.267 20 10 DICDRN CC(C)Cn1ncc(N[C@@H](C)c2ccccc2O)c1C(F)F ZINC000783531617 1046605818 /nfs/dbraw/zinc/60/58/18/1046605818.db2.gz CWHAGIMCJCTROM-NSHDSACASA-N 0 0 309.360 4.355 20 10 DICDRN Cc1c(Cl)c(-c2ccc(O)c(O)c2)nc2cc(F)ccc12 ZINC000783687900 1046622392 /nfs/dbraw/zinc/62/23/92/1046622392.db2.gz PVUCIHYEPYKHJQ-UHFFFAOYSA-N 0 0 303.720 4.414 20 10 DICDRN Cc1ccncc1/C=C\C(=O)N(C)c1ccc2ccccc2c1 ZINC000783737722 1046629551 /nfs/dbraw/zinc/62/95/51/1046629551.db2.gz MDDHYPFEFCVBHB-NTMALXAHSA-N 0 0 302.377 4.219 20 10 DICDRN CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000783740660 1046629839 /nfs/dbraw/zinc/62/98/39/1046629839.db2.gz JTOQIURUXSGSDY-LLVKDONJSA-N 0 0 313.722 4.251 20 10 DICDRN Oc1cccc2c1[C@H](Nc1cccc(OCC(F)(F)F)c1)CC2 ZINC000834748124 1046664197 /nfs/dbraw/zinc/66/41/97/1046664197.db2.gz OSPSAVKMJNPXGO-CQSZACIVSA-N 0 0 323.314 4.433 20 10 DICDRN C[C@@H]([NH2+][C@H]1CCCc2c(F)cccc21)c1ccc(F)cc1[O-] ZINC000834814105 1046674358 /nfs/dbraw/zinc/67/43/58/1046674358.db2.gz FDYZTPCDPQDONX-DIFFPNOSSA-N 0 0 303.352 4.399 20 10 DICDRN C[C@H]([NH2+]C[C@@H]1CSc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000834819384 1046675986 /nfs/dbraw/zinc/67/59/86/1046675986.db2.gz VFTGNAPGMUXDDL-WDEREUQCSA-N 0 0 321.392 4.211 20 10 DICDRN C[C@H]([NH2+]C[C@H]1CSc2ccccc21)c1ccc(F)cc1[O-] ZINC000834818184 1046676259 /nfs/dbraw/zinc/67/62/59/1046676259.db2.gz HXSDZSGYUUQMCX-RYUDHWBXSA-N 0 0 303.402 4.071 20 10 DICDRN CC[C@H](C)CCC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000795770346 1046676544 /nfs/dbraw/zinc/67/65/44/1046676544.db2.gz VUFYDAPQWKKTFJ-INIZCTEOSA-N 0 0 302.462 4.119 20 10 DICDRN CC[C@@H]([NH2+]CCCC1CCOCC1)c1cccc(Cl)c1[O-] ZINC000834819466 1046676704 /nfs/dbraw/zinc/67/67/04/1046676704.db2.gz XBLFKTMGULLJLK-MRXNPFEDSA-N 0 0 311.853 4.293 20 10 DICDRN C[C@H]([NH2+]C[C@H]1CSc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000834819383 1046676747 /nfs/dbraw/zinc/67/67/47/1046676747.db2.gz VFTGNAPGMUXDDL-QWRGUYRKSA-N 0 0 321.392 4.211 20 10 DICDRN CC[C@H]([NH2+]CC[C@H](C)CCO)c1cc(Cl)cc(Cl)c1[O-] ZINC000834830259 1046678645 /nfs/dbraw/zinc/67/86/45/1046678645.db2.gz BCQRXBIWDFJFAL-HZMBPMFUSA-N 0 0 320.260 4.148 20 10 DICDRN CC(C)c1ncc(/C=C2\c3cc(Cl)ccc3N(C)C2=O)s1 ZINC000799502064 1046680727 /nfs/dbraw/zinc/68/07/27/1046680727.db2.gz UNDVRKVOZLWDNZ-NTUHNPAUSA-N 0 0 318.829 4.437 20 10 DICDRN CC(C)C(C)(C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000784313486 1046681543 /nfs/dbraw/zinc/68/15/43/1046681543.db2.gz OBOQZIKBPXSQPD-UHFFFAOYSA-N 0 0 316.489 4.318 20 10 DICDRN CC[C@@H]([NH2+]C[C@H](C)CCCO)c1cc(Cl)cc(Cl)c1[O-] ZINC000834869674 1046690473 /nfs/dbraw/zinc/69/04/73/1046690473.db2.gz CJMBZIHPNKWZCV-QMTHXVAHSA-N 0 0 320.260 4.148 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)CCCCO)c1cc(Cl)cc(Cl)c1[O-] ZINC000834876557 1046693441 /nfs/dbraw/zinc/69/34/41/1046693441.db2.gz CMSJHQIJNJZIPF-QMTHXVAHSA-N 0 0 320.260 4.291 20 10 DICDRN CC[C@@H]([NH2+]C[C@H]1CCOC2(CCC2)C1)c1cccc(Cl)c1[O-] ZINC000834882620 1046694979 /nfs/dbraw/zinc/69/49/79/1046694979.db2.gz MNAAGKDZLYBGDS-XJKSGUPXSA-N 0 0 323.864 4.436 20 10 DICDRN CC[C@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)c1cccc(Cl)c1[O-] ZINC000834882614 1046695151 /nfs/dbraw/zinc/69/51/51/1046695151.db2.gz MNAAGKDZLYBGDS-CJNGLKHVSA-N 0 0 323.864 4.436 20 10 DICDRN CC[C@](C)(C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-])OC ZINC000834882117 1046696244 /nfs/dbraw/zinc/69/62/44/1046696244.db2.gz HYISVZCVKNMSCP-YMTOWFKASA-N 0 0 306.233 4.165 20 10 DICDRN Cc1ccncc1C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000834886011 1046699925 /nfs/dbraw/zinc/69/99/25/1046699925.db2.gz HCEIZSBWOAKUOH-JTQLQIEISA-N 0 0 311.212 4.253 20 10 DICDRN Cc1ccc(-c2csc(CN(C)Cc3ccccc3O)n2)cc1 ZINC000795958633 1046701383 /nfs/dbraw/zinc/70/13/83/1046701383.db2.gz YCXCCSSHFZWUCD-UHFFFAOYSA-N 0 0 324.449 4.456 20 10 DICDRN C[C@@H]([NH2+]CC[C@@]1(C)CC1(Cl)Cl)c1ccc(F)cc1[O-] ZINC000834892791 1046702050 /nfs/dbraw/zinc/70/20/50/1046702050.db2.gz MJGOCYISSCKNCI-RNCFNFMXSA-N 0 0 306.208 4.156 20 10 DICDRN CCc1nc(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])co1 ZINC000834900990 1046711802 /nfs/dbraw/zinc/71/18/02/1046711802.db2.gz YECQIGMWAFNWNS-MRVPVSSYSA-N 0 0 315.200 4.100 20 10 DICDRN C[C@@H]([NH2+]CCC[C@H]1CCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000834901545 1046712511 /nfs/dbraw/zinc/71/25/11/1046712511.db2.gz BNRDNMIMISYJEZ-MNOVXSKESA-N 0 0 318.244 4.166 20 10 DICDRN C[C@H]([NH2+]CCC[C@H]1CCOC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000834904139 1046716323 /nfs/dbraw/zinc/71/63/23/1046716323.db2.gz NEZWNMIXNXIWFC-QWRGUYRKSA-N 0 0 318.244 4.166 20 10 DICDRN CC[C@@H]([NH2+]CCc1ccc(C)cn1)c1cccc(Cl)c1[O-] ZINC000834910552 1046718977 /nfs/dbraw/zinc/71/89/77/1046718977.db2.gz UNNKNCDZDCALHX-MRXNPFEDSA-N 0 0 304.821 4.032 20 10 DICDRN CCOc1ccccc1C[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000796700025 1046719185 /nfs/dbraw/zinc/71/91/85/1046719185.db2.gz CEEXBPKENDZMRK-INIZCTEOSA-N 0 0 303.377 4.171 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccc2ccccc2n1)c1ccc(F)cc1[O-] ZINC000796711038 1046720176 /nfs/dbraw/zinc/72/01/76/1046720176.db2.gz RVMDYRPDYDGYPB-QGZVFWFLSA-N 0 0 310.372 4.320 20 10 DICDRN CC[C@H](Nc1cccc(CCO)c1)c1cccc(Cl)c1O ZINC000834913400 1046720975 /nfs/dbraw/zinc/72/09/75/1046720975.db2.gz OYXPSOFMZQPJHQ-INIZCTEOSA-N 0 0 305.805 4.144 20 10 DICDRN CC[C@@H]([NH2+]CCCc1ccc(OC)cc1)c1ccc(F)cc1[O-] ZINC000796701717 1046721401 /nfs/dbraw/zinc/72/14/01/1046721401.db2.gz IGLNQMLUCUTUNV-GOSISDBHSA-N 0 0 317.404 4.213 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)CCc1ccc(O)cc1)c1ccc(F)cc1[O-] ZINC000796748453 1046726374 /nfs/dbraw/zinc/72/63/74/1046726374.db2.gz LKVSFSMHIAVBEJ-UGSOOPFHSA-N 0 0 317.404 4.299 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)CCc1ccc(O)cc1)c1ccc(F)cc1[O-] ZINC000796748450 1046726645 /nfs/dbraw/zinc/72/66/45/1046726645.db2.gz LKVSFSMHIAVBEJ-SCLBCKFNSA-N 0 0 317.404 4.299 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1ccc(F)cc1[O-] ZINC000796760074 1046728857 /nfs/dbraw/zinc/72/88/57/1046728857.db2.gz KIZCIYMVOJFGDW-SUMWQHHRSA-N 0 0 315.388 4.138 20 10 DICDRN CC[C@H]([NH2+][C@H](C)c1cnn(C(C)C)c1)c1ccc(F)cc1[O-] ZINC000796758597 1046729562 /nfs/dbraw/zinc/72/95/62/1046729562.db2.gz DMEPKKVBCSANCK-WBMJQRKESA-N 0 0 305.397 4.111 20 10 DICDRN COc1ccc2c(c1)C[N@@H+](Cc1ccc(Cl)cc1O)CCC2 ZINC001140464138 1046735193 /nfs/dbraw/zinc/73/51/93/1046735193.db2.gz DBASTKKSZGAFHG-UHFFFAOYSA-N 0 0 317.816 4.003 20 10 DICDRN CC[C@H]([NH2+]C[C@H](C)Oc1ccccc1)c1ccc(F)cc1[O-] ZINC000796816178 1046738650 /nfs/dbraw/zinc/73/86/50/1046738650.db2.gz JPZTTYMEINRMBN-GUYCJALGSA-N 0 0 303.377 4.040 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)c1ccc(F)cc1[O-] ZINC000796835432 1046742745 /nfs/dbraw/zinc/74/27/45/1046742745.db2.gz LQBPUGTWSBZRRK-WBVHZDCISA-N 0 0 321.436 4.454 20 10 DICDRN CCc1nc([C@H](C)NC/C=C\c2ccc(N(C)C)cc2)cs1 ZINC000835039166 1046745840 /nfs/dbraw/zinc/74/58/40/1046745840.db2.gz CAQXDAZUAMPKMU-AFNCTOJWSA-N 0 0 315.486 4.136 20 10 DICDRN CC[C@@H](Nc1ccc(OC)cc1OC)c1ccc(F)cc1O ZINC000796854963 1046746510 /nfs/dbraw/zinc/74/65/10/1046746510.db2.gz FDNNTZVNNMHPOH-CQSZACIVSA-N 0 0 305.349 4.112 20 10 DICDRN CN(C)c1ccc(/C=C/CN2CC(C)(C)[C@@H]2c2cccnc2)cc1 ZINC000835056674 1046750287 /nfs/dbraw/zinc/75/02/87/1046750287.db2.gz WOININNDWJDCKJ-YJJPMGAVSA-N 0 0 321.468 4.244 20 10 DICDRN CN(C)c1ccc(/C=C\CN2CC(C)(C)[C@@H]2c2cccnc2)cc1 ZINC000835056665 1046750426 /nfs/dbraw/zinc/75/04/26/1046750426.db2.gz WOININNDWJDCKJ-HCZHMGAMSA-N 0 0 321.468 4.244 20 10 DICDRN CN(C)c1ccc(/C=C/CN2CC(C)(C)[C@H]2c2ccncc2)cc1 ZINC000835055760 1046750464 /nfs/dbraw/zinc/75/04/64/1046750464.db2.gz OJCWZQYSMGBGFV-RRFGBZISSA-N 0 0 321.468 4.244 20 10 DICDRN CN(C)c1ccc(/C=C\CN2CC(C)(C)[C@@H]2c2ccncc2)cc1 ZINC000835055759 1046750744 /nfs/dbraw/zinc/75/07/44/1046750744.db2.gz OJCWZQYSMGBGFV-PRPIBZDOSA-N 0 0 321.468 4.244 20 10 DICDRN CC[C@@H](Nc1ccc(N2CCCC2)nc1)c1ccc(F)cc1O ZINC000796887061 1046752399 /nfs/dbraw/zinc/75/23/99/1046752399.db2.gz DTWWXLPTLHROEC-MRXNPFEDSA-N 0 0 315.392 4.090 20 10 DICDRN CC[C@@H](Nc1ccc(NC(C)=O)cc1)c1ccc(F)cc1O ZINC000796898222 1046754853 /nfs/dbraw/zinc/75/48/53/1046754853.db2.gz NRLIKQDGXQMKQP-MRXNPFEDSA-N 0 0 302.349 4.053 20 10 DICDRN CC[C@@H](Nc1ccccc1OCCOC)c1ccc(F)cc1O ZINC000796905767 1046756351 /nfs/dbraw/zinc/75/63/51/1046756351.db2.gz HINXIGSMVPPZJF-OAHLLOKOSA-N 0 0 319.376 4.120 20 10 DICDRN CC[C@@H](Nc1ccc2cnn(CC)c2c1)c1ccc(F)cc1O ZINC000796908169 1046756614 /nfs/dbraw/zinc/75/66/14/1046756614.db2.gz RQFFFHNOMUJVMS-MRXNPFEDSA-N 0 0 313.376 4.464 20 10 DICDRN CC[C@H](Nc1cnn([C@@H](C)C2CC2)c1)c1ccc(F)cc1O ZINC000796955231 1046763129 /nfs/dbraw/zinc/76/31/29/1046763129.db2.gz VHTNPXSDKIKRRW-ZBEGNZNMSA-N 0 0 303.381 4.262 20 10 DICDRN CCO[C@@H](C[NH2+][C@H](CC)c1ccc(F)cc1[O-])c1ccccc1 ZINC000796972320 1046764573 /nfs/dbraw/zinc/76/45/73/1046764573.db2.gz JOUOJDUBUBZNTJ-MJGOQNOKSA-N 0 0 317.404 4.350 20 10 DICDRN C[C@H]([NH2+][C@H]1CSC[C@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000797064732 1046785629 /nfs/dbraw/zinc/78/56/29/1046785629.db2.gz JFZDCILWDWMYKA-LWINAJNOSA-N 0 0 306.258 4.101 20 10 DICDRN C[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000797077228 1046786709 /nfs/dbraw/zinc/78/67/09/1046786709.db2.gz DFPLPNRWDHYCIN-GARJFASQSA-N 0 0 318.244 4.022 20 10 DICDRN 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COCCCCCN(Cc1ccco1)c1ccc(OC)c(F)c1 ZINC000303763560 1046964426 /nfs/dbraw/zinc/96/44/26/1046964426.db2.gz DABOPVXDVJJUBQ-UHFFFAOYSA-N 0 0 321.392 4.251 20 10 DICDRN COc1ccc(N(C)Cc2cn(C(C)C)nc2C)cc1Cl ZINC000798951809 1046992126 /nfs/dbraw/zinc/99/21/26/1046992126.db2.gz KVGIRLPLNZOPHG-UHFFFAOYSA-N 0 0 307.825 4.071 20 10 DICDRN c1ccc2ncc(COc3ccc(N4CCCC4)cc3)cc2c1 ZINC000799175489 1047004994 /nfs/dbraw/zinc/00/49/94/1047004994.db2.gz AKVYJBGIGWJAMN-UHFFFAOYSA-N 0 0 304.393 4.414 20 10 DICDRN Cc1cccc(N2C(=O)/C(=C/c3ccsc3)SC2=S)c1 ZINC000799204048 1047012155 /nfs/dbraw/zinc/01/21/55/1047012155.db2.gz ATRDUNBUUHLQSL-JYRVWZFOSA-N 0 0 317.460 4.462 20 10 DICDRN CCN(C(=O)/C=C\c1cncc(C)c1)c1ccc(Cl)cc1F ZINC000799409553 1047026639 /nfs/dbraw/zinc/02/66/39/1047026639.db2.gz GQMUWKXDUAJCRD-DAXSKMNVSA-N 0 0 318.779 4.249 20 10 DICDRN C[C@@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1cc(F)cc(F)c1[O-] ZINC000799728340 1047059251 /nfs/dbraw/zinc/05/92/51/1047059251.db2.gz KKUXURHJUFNYLL-LLVKDONJSA-N 0 0 316.351 4.045 20 10 DICDRN CCCC[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000799879174 1047065805 /nfs/dbraw/zinc/06/58/05/1047065805.db2.gz SFKBHKFGUGGPHP-OAHLLOKOSA-N 0 0 302.462 4.070 20 10 DICDRN Cc1cc(Cl)nc(CNC(=S)Nc2ccc(C)c(C)c2)c1 ZINC000799899161 1047071997 /nfs/dbraw/zinc/07/19/97/1047071997.db2.gz IJUQZBXHOQNWCM-UHFFFAOYSA-N 0 0 319.861 4.147 20 10 DICDRN CCc1ccc(NC(=S)NCc2cc(C)cc(Cl)n2)cc1 ZINC000799898962 1047073166 /nfs/dbraw/zinc/07/31/66/1047073166.db2.gz AUAVFKWCODEKNG-UHFFFAOYSA-N 0 0 319.861 4.092 20 10 DICDRN CCC1(C)CN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC001141321291 1047088550 /nfs/dbraw/zinc/08/85/50/1047088550.db2.gz CNNZNLCHGOIXSD-UHFFFAOYSA-N 0 0 310.441 4.275 20 10 DICDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)CC2CCCCC2)c1 ZINC001116066937 1047105231 /nfs/dbraw/zinc/10/52/31/1047105231.db2.gz ZRKBXFRKYFLMAP-KGLIPLIRSA-N 0 0 319.445 4.185 20 10 DICDRN CC1CC([N@H+](C)Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141367801 1047106854 /nfs/dbraw/zinc/10/68/54/1047106854.db2.gz 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CCCCCC[C@](C)(CCC)C(=O)NCc1ccc(O)cc1O ZINC001142533233 1047319833 /nfs/dbraw/zinc/31/98/33/1047319833.db2.gz HVVSMNLVXUVBRZ-IBGZPJMESA-N 0 0 321.461 4.491 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000898218946 1047323045 /nfs/dbraw/zinc/32/30/45/1047323045.db2.gz TXGGWOIBZCGPJK-UHFFFAOYSA-N 0 0 322.861 4.450 20 10 DICDRN C[C@H]1C[C@@H]([NH2+]C2CCC(C(F)F)CC2)c2c1c(F)ccc2O ZINC000840808930 1047336806 /nfs/dbraw/zinc/33/68/06/1047336806.db2.gz YLFMWZKSEFXOTB-HHISKICNSA-N 0 0 313.363 4.493 20 10 DICDRN COCC[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000840835257 1047341909 /nfs/dbraw/zinc/34/19/09/1047341909.db2.gz LGUSUHXJPJQWMX-UWVGGRQHSA-N 0 0 306.233 4.022 20 10 DICDRN CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)NCc1ccccc1O ZINC000726242357 1047342638 /nfs/dbraw/zinc/34/26/38/1047342638.db2.gz XZSBADBMMPNJLQ-GOEBONIOSA-N 0 0 318.461 4.044 20 10 DICDRN Cc1ccc(CNC(=S)Nc2cccc(Cl)c2C)nc1C ZINC000840844125 1047342933 /nfs/dbraw/zinc/34/29/33/1047342933.db2.gz OYVZZAQYWNERFH-UHFFFAOYSA-N 0 0 319.861 4.147 20 10 DICDRN C[C@H]([NH2+]Cc1cnccc1C(C)(C)C)c1cc(F)cc(F)c1[O-] ZINC000840854589 1047344800 /nfs/dbraw/zinc/34/48/00/1047344800.db2.gz ADEMZWGAEBFYAA-NSHDSACASA-N 0 0 320.383 4.214 20 10 DICDRN C[C@H]([NH2+]Cc1cnccc1C(C)(C)C)c1ccc(F)cc1[O-] ZINC000840858113 1047346418 /nfs/dbraw/zinc/34/64/18/1047346418.db2.gz QFVUOXXFPMMTPX-LBPRGKRZSA-N 0 0 302.393 4.075 20 10 DICDRN C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000840872282 1047349126 /nfs/dbraw/zinc/34/91/26/1047349126.db2.gz JKUBRLJJCNXYSS-LMLFDSFASA-N 0 0 318.244 4.163 20 10 DICDRN CC[C@@H](Nc1cccc([C@H]2CCC(=O)N2)c1)c1ccc(C)cc1O ZINC000840885216 1047353596 /nfs/dbraw/zinc/35/35/96/1047353596.db2.gz WCWZYOJSOSCFCG-QZTJIDSGSA-N 0 0 324.424 4.215 20 10 DICDRN Cc1cc(O)c(CNCc2nc(C(C)(C)C)cs2)c(Cl)c1 ZINC000840892709 1047357206 /nfs/dbraw/zinc/35/72/06/1047357206.db2.gz ZJTOQWWTXJVKAQ-UHFFFAOYSA-N 0 0 324.877 4.398 20 10 DICDRN COc1ccc(N(CCC(C)C)Cc2noc(C3CC3)n2)cc1 ZINC000796504434 1047359162 /nfs/dbraw/zinc/35/91/62/1047359162.db2.gz NOEZETBCWHXJBO-UHFFFAOYSA-N 0 0 315.417 4.008 20 10 DICDRN Cc1cc(O)c(CNc2cnn([C@@H](C)C3CC3)c2)c(Cl)c1 ZINC000840936703 1047360995 /nfs/dbraw/zinc/36/09/95/1047360995.db2.gz CSPWKTVAYGENSW-NSHDSACASA-N 0 0 305.809 4.134 20 10 DICDRN Cc1cc(O)c(CNc2ccc(F)c([C@H](C)O)c2)c(Cl)c1 ZINC000840947079 1047362160 /nfs/dbraw/zinc/36/21/60/1047362160.db2.gz ZUWHDQLRYCCJRG-JTQLQIEISA-N 0 0 309.768 4.159 20 10 DICDRN Cc1cc(O)c(CNc2ccc([C@H]3CCOC3)cc2)c(Cl)c1 ZINC000840949183 1047362414 /nfs/dbraw/zinc/36/24/14/1047362414.db2.gz QAVHIAOISJUBNK-AWEZNQCLSA-N 0 0 317.816 4.470 20 10 DICDRN CC[C@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000840956203 1047363190 /nfs/dbraw/zinc/36/31/90/1047363190.db2.gz KSGDTWDSRKAAMI-AWEZNQCLSA-N 0 0 320.776 4.195 20 10 DICDRN CC[C@@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000840956204 1047363669 /nfs/dbraw/zinc/36/36/69/1047363669.db2.gz KSGDTWDSRKAAMI-CQSZACIVSA-N 0 0 320.776 4.195 20 10 DICDRN Nc1ccc(N(Cc2ccccc2)c2cccc(CCO)c2)cc1 ZINC001203117434 1047371474 /nfs/dbraw/zinc/37/14/74/1047371474.db2.gz RVAQRRLSJBZFDG-UHFFFAOYSA-N 0 0 318.420 4.142 20 10 DICDRN Cc1nn(Cc2ccc(C)cc2)c(C)c1CNc1ccc(N)cc1 ZINC000841040334 1047373239 /nfs/dbraw/zinc/37/32/39/1047373239.db2.gz PGAUDNCBXJWUDX-UHFFFAOYSA-N 0 0 320.440 4.051 20 10 DICDRN Cc1cc(O)c(C[NH2+][C@H]2CCCc3cc(N)ccc32)c(Cl)c1 ZINC000841058100 1047377422 /nfs/dbraw/zinc/37/74/22/1047377422.db2.gz GHQXFTUCPGRCPI-KRWDZBQOSA-N 0 0 316.832 4.103 20 10 DICDRN Cc1cccc(CC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000726751928 1047379742 /nfs/dbraw/zinc/37/97/42/1047379742.db2.gz WOCSQYYPSMEFDA-UHFFFAOYSA-N 0 0 324.468 4.041 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(C)nc1Cl ZINC001142144049 1047389153 /nfs/dbraw/zinc/38/91/53/1047389153.db2.gz SFDKKFKZLCIPBA-UHFFFAOYSA-N 0 0 317.864 4.132 20 10 DICDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1cccnc1Cl ZINC000726970187 1047396201 /nfs/dbraw/zinc/39/62/01/1047396201.db2.gz ITQSLLPZSLVWHD-UHFFFAOYSA-N 0 0 324.758 4.289 20 10 DICDRN CC(C)[C@@H]1C[C@@H](CNC(=O)Nc2ccc(N)cc2)c2ccccc21 ZINC000841294435 1047399466 /nfs/dbraw/zinc/39/94/66/1047399466.db2.gz CCBBRFUCBLZUCM-LIRRHRJNSA-N 0 0 323.440 4.317 20 10 DICDRN CC[C@H](CN(CC)C(=O)Nc1ccc(N)cc1)c1ccccc1 ZINC000841295982 1047399562 /nfs/dbraw/zinc/39/95/62/1047399562.db2.gz LZGWXUSKLLYEDT-OAHLLOKOSA-N 0 0 311.429 4.316 20 10 DICDRN CCC(C)(C)c1ccc(CNC(=O)Nc2ccc(N)cc2)cc1 ZINC000841297140 1047400606 /nfs/dbraw/zinc/40/06/06/1047400606.db2.gz AQOQXDSYUSIFKK-UHFFFAOYSA-N 0 0 311.429 4.278 20 10 DICDRN Cc1cccc([C@H](NC(=O)Nc2ccc(N)cc2)C(C)(C)C)c1 ZINC000841300140 1047400810 /nfs/dbraw/zinc/40/08/10/1047400810.db2.gz OKRVJNJXLOCNBL-KRWDZBQOSA-N 0 0 311.429 4.486 20 10 DICDRN CCC[C@H](CCc1ccccc1)NC(=O)Nc1ccc(N)cc1 ZINC000841300388 1047401346 /nfs/dbraw/zinc/40/13/46/1047401346.db2.gz QTEJOQBQZXTLKW-QGZVFWFLSA-N 0 0 311.429 4.192 20 10 DICDRN CC[C@@H]1CN(C(=O)Nc2ccc(N)cc2)CC[C@H]1c1ccccc1 ZINC000841300825 1047401602 /nfs/dbraw/zinc/40/16/02/1047401602.db2.gz UUHFSPIZVKAGSF-DNVCBOLYSA-N 0 0 323.440 4.316 20 10 DICDRN CCc1ccc([C@H]2CCCN(C(=O)Nc3ccc(N)cc3)C2)cc1 ZINC000841299962 1047402102 /nfs/dbraw/zinc/40/21/02/1047402102.db2.gz OQOXNMUPRVGVCG-KRWDZBQOSA-N 0 0 323.440 4.243 20 10 DICDRN Nc1ccc(NC(=O)N2CCC[C@H](c3ccccc3)CC2)cc1 ZINC000841301117 1047402174 /nfs/dbraw/zinc/40/21/74/1047402174.db2.gz BAXPTHYSHJDATO-INIZCTEOSA-N 0 0 309.413 4.070 20 10 DICDRN C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccc(N)cc2)C1 ZINC000841300436 1047402221 /nfs/dbraw/zinc/40/22/21/1047402221.db2.gz RQXSZPWUKXENCI-PXAZEXFGSA-N 0 0 313.376 4.023 20 10 DICDRN Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(N)cc2)cc1C ZINC000841301448 1047403623 /nfs/dbraw/zinc/40/36/23/1047403623.db2.gz PRKBIZCSULLYDC-GOSISDBHSA-N 0 0 309.413 4.255 20 10 DICDRN COc1ccc(N(Cc2cscn2)Cc2ccco2)cc1F ZINC000749335900 1047410230 /nfs/dbraw/zinc/41/02/30/1047410230.db2.gz NHNTUTWWYJSGKA-UHFFFAOYSA-N 0 0 318.373 4.091 20 10 DICDRN C[C@@H]1CCC[C@H](CC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000749851145 1047439622 /nfs/dbraw/zinc/43/96/22/1047439622.db2.gz SKMQKUNNNGAACV-AEFFLSMTSA-N 0 0 314.473 4.119 20 10 DICDRN COC[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)c1ccccc1 ZINC000841747654 1047448218 /nfs/dbraw/zinc/44/82/18/1047448218.db2.gz GYHVCUYOXVZUIY-MLGOLLRUSA-N 0 0 305.805 4.084 20 10 DICDRN COc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2O)cc1F ZINC000841744743 1047448988 /nfs/dbraw/zinc/44/89/88/1047448988.db2.gz SJYLFNRMHRJPIE-SNVBAGLBSA-N 0 0 309.768 4.044 20 10 DICDRN C[C@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1ccc(Cl)cc1O ZINC000841748273 1047449001 /nfs/dbraw/zinc/44/90/01/1047449001.db2.gz JTXRNQRQHTVMGZ-BONVTDFDSA-N 0 0 321.779 4.359 20 10 DICDRN C[C@@H](Nc1cnn([C@@H](C)C2CC2)c1)c1ccc(Cl)cc1O ZINC000841750729 1047450003 /nfs/dbraw/zinc/45/00/03/1047450003.db2.gz AMKZLXAAISMPPS-MNOVXSKESA-N 0 0 305.809 4.386 20 10 DICDRN C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccc(Cl)cc1[O-] ZINC000841749710 1047450032 /nfs/dbraw/zinc/45/00/32/1047450032.db2.gz HNTDTWSNMQMTNF-WPUCRFQZSA-N 0 0 321.848 4.044 20 10 DICDRN C[C@@H]([NH2+][C@H]1CCCC12CCOCC2)c1ccc(Cl)cc1[O-] ZINC000841750964 1047450122 /nfs/dbraw/zinc/45/01/22/1047450122.db2.gz DEZXMDQBWGYBNV-WBMJQRKESA-N 0 0 309.837 4.046 20 10 DICDRN C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccc(Cl)cc1[O-] ZINC000841749708 1047450374 /nfs/dbraw/zinc/45/03/74/1047450374.db2.gz HNTDTWSNMQMTNF-ASTDHERZSA-N 0 0 321.848 4.044 20 10 DICDRN C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1[O-] ZINC000841753032 1047451603 /nfs/dbraw/zinc/45/16/03/1047451603.db2.gz RTALWCJCYFFFTN-CRWXNKLISA-N 0 0 311.853 4.290 20 10 DICDRN CCOc1ccc(N[C@@H](C)c2ccc(Cl)cc2O)cc1CO ZINC000841755400 1047451669 /nfs/dbraw/zinc/45/16/69/1047451669.db2.gz ZPRCWUDEQKDVOH-NSHDSACASA-N 0 0 321.804 4.110 20 10 DICDRN CC(C)C[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(Cl)cc2[O-])CCO1 ZINC000841753168 1047451893 /nfs/dbraw/zinc/45/18/93/1047451893.db2.gz KKMOSSMWMGCDHW-VHDGCEQUSA-N 0 0 311.853 4.290 20 10 DICDRN Cc1cnc([C@H](C)C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])s1 ZINC000841753744 1047452321 /nfs/dbraw/zinc/45/23/21/1047452321.db2.gz VOMMEVHEEKCIOL-KOLCDFICSA-N 0 0 310.850 4.265 20 10 DICDRN CC(C)[C@@H]1C[C@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CCO1 ZINC000841757607 1047453107 /nfs/dbraw/zinc/45/31/07/1047453107.db2.gz NVLXWFHGCZWSDN-AHIWAGSCSA-N 0 0 311.853 4.147 20 10 DICDRN C[C@H]([NH2+]CC1(c2ccccn2)CCC1)c1ccc(Cl)cc1[O-] ZINC000841759404 1047453361 /nfs/dbraw/zinc/45/33/61/1047453361.db2.gz ZEHLEDYUSHTDJF-ZDUSSCGKSA-N 0 0 316.832 4.213 20 10 DICDRN Cc1nc(CC[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])sc1C ZINC000841761154 1047455316 /nfs/dbraw/zinc/45/53/16/1047455316.db2.gz WSLSILRCLDVQCB-JTQLQIEISA-N 0 0 310.850 4.012 20 10 DICDRN Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(F)c(F)cc2[O-])c1 ZINC001142508493 1047462845 /nfs/dbraw/zinc/46/28/45/1047462845.db2.gz AQKMTMOMGFCWDQ-KRWDZBQOSA-N 0 0 303.352 4.316 20 10 DICDRN Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc(F)c(F)cc2[O-])c1 ZINC001142508494 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Cn1c2ccc(OC(=O)C3CC(F)(F)C3)cc2c2c1CCCC2 ZINC000843020757 1047523602 /nfs/dbraw/zinc/52/36/02/1047523602.db2.gz KMDLEOUTIVJSRP-UHFFFAOYSA-N 0 0 319.351 4.008 20 10 DICDRN Nc1ccc(Cc2noc(-c3ccc(C4CCC4)cc3)n2)cc1 ZINC000843160612 1047530049 /nfs/dbraw/zinc/53/00/49/1047530049.db2.gz KZUPVASSPKYOCR-UHFFFAOYSA-N 0 0 305.381 4.177 20 10 DICDRN CC[C@H](C)Oc1ccc(-c2nc(Cc3ccc(N)cc3)no2)cc1 ZINC000843158984 1047530150 /nfs/dbraw/zinc/53/01/50/1047530150.db2.gz JVNZIRLOTGTLHQ-ZDUSSCGKSA-N 0 0 323.396 4.087 20 10 DICDRN COc1cccc2c1CN(Cc1cccc(C(C)(C)C)c1O)C2 ZINC001143112143 1047532360 /nfs/dbraw/zinc/53/23/60/1047532360.db2.gz MRDORKANFZGQFZ-UHFFFAOYSA-N 0 0 311.425 4.214 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]C1(c2ccccc2F)CCC1 ZINC000843424475 1047549854 /nfs/dbraw/zinc/54/98/54/1047549854.db2.gz BCTWYCPLHUXXKF-UHFFFAOYSA-N 0 0 305.780 4.354 20 10 DICDRN O=C(/C=C/c1ccc(F)c2ccccc12)NCc1ccccc1O ZINC001150537254 1047578215 /nfs/dbraw/zinc/57/82/15/1047578215.db2.gz ZXHZRZKJPRDAQE-ZRDIBKRKSA-N 0 0 321.351 4.014 20 10 DICDRN C/C(=C\C(=O)N[C@@H](C)c1ccccc1O)c1cccc(Cl)c1 ZINC001151892045 1047603629 /nfs/dbraw/zinc/60/36/29/1047603629.db2.gz GHDPQXHLDFTWAY-XSNHNAGMSA-N 0 0 315.800 4.326 20 10 DICDRN C/C=C(\C)C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC001152395537 1047610620 /nfs/dbraw/zinc/61/06/20/1047610620.db2.gz MVMRZRIAJUOYFY-MRJCOXNESA-N 0 0 309.409 4.448 20 10 DICDRN CCCOc1ccccc1N[C@H](C)c1cc(OC)ccc1O ZINC000192732046 1047614658 /nfs/dbraw/zinc/61/46/58/1047614658.db2.gz JUZCCOUAHOZCIB-CYBMUJFWSA-N 0 0 301.386 4.363 20 10 DICDRN Cc1cc(C)c(CNC(=O)c2cccc3sccc32)c(O)c1 ZINC001153446512 1047624750 /nfs/dbraw/zinc/62/47/50/1047624750.db2.gz KOUZHAKSPRDJKH-UHFFFAOYSA-N 0 0 311.406 4.154 20 10 DICDRN CCN(Cc1ccccc1O)c1ncnc2ccc(Cl)cc21 ZINC001154889660 1047660554 /nfs/dbraw/zinc/66/05/54/1047660554.db2.gz CEESIJBBQPQIGU-UHFFFAOYSA-N 0 0 313.788 4.015 20 10 DICDRN CCN(Cc1ccccc1O)c1ncc2ccc(Cl)cc2n1 ZINC001154888649 1047660900 /nfs/dbraw/zinc/66/09/00/1047660900.db2.gz GEKDXQRCJHBKHZ-UHFFFAOYSA-N 0 0 313.788 4.015 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)C1C(C)(C)C1(C)C ZINC001155705219 1047687487 /nfs/dbraw/zinc/68/74/87/1047687487.db2.gz ZAXHLUMQGYJRPU-UHFFFAOYSA-N 0 0 303.446 4.203 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1cc[nH]c1CCC ZINC001155704076 1047687685 /nfs/dbraw/zinc/68/76/85/1047687685.db2.gz FEIZYZFOZMSFDF-UHFFFAOYSA-N 0 0 314.429 4.115 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C ZINC001155704353 1047687709 /nfs/dbraw/zinc/68/77/09/1047687709.db2.gz ILBRTLMAZXHMIY-LEUOFYLZSA-N 0 0 315.457 4.203 20 10 DICDRN Cc1cc(C)c(CNC(=O)c2cccc3c(F)cccc23)c(O)c1 ZINC001156103665 1047700718 /nfs/dbraw/zinc/70/07/18/1047700718.db2.gz DJSPDRVCDAQSBV-UHFFFAOYSA-N 0 0 323.367 4.231 20 10 DICDRN O=C(NCc1c(O)cccc1F)c1ccccc1-c1ccccc1 ZINC001156164095 1047703308 /nfs/dbraw/zinc/70/33/08/1047703308.db2.gz MRGWSKAKBTYAKN-UHFFFAOYSA-N 0 0 321.351 4.128 20 10 DICDRN CSc1cc(Cl)ncc1N(C)Cc1ccc(N(C)C)cc1 ZINC001156924382 1047727558 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1047845099 /nfs/dbraw/zinc/84/50/99/1047845099.db2.gz UBSMSQMOPLGDJF-UHFFFAOYSA-N 0 0 308.337 4.059 20 10 DICDRN Nc1ccc(N(Cc2ccccc2)c2cnn(CC3CC3)c2)cc1 ZINC001174470518 1047847215 /nfs/dbraw/zinc/84/72/15/1047847215.db2.gz ZVMQUKNRZOZHSD-UHFFFAOYSA-N 0 0 318.424 4.214 20 10 DICDRN Oc1cc(Br)ccc1Nc1ccc2c(c1)CCCN2 ZINC001159476945 1047852337 /nfs/dbraw/zinc/85/23/37/1047852337.db2.gz AKLPAZFJXYZBSX-UHFFFAOYSA-N 0 0 319.202 4.256 20 10 DICDRN Nc1ccc(Nc2ccc3c(c2)oc(=O)cc3C(F)(F)F)cc1 ZINC001159495672 1047856266 /nfs/dbraw/zinc/85/62/66/1047856266.db2.gz ABTZRSDJEVUICF-UHFFFAOYSA-N 0 0 320.270 4.138 20 10 DICDRN Fc1c(Br)cccc1Nc1ccc2c(c1)CCN2 ZINC001159522356 1047860396 /nfs/dbraw/zinc/86/03/96/1047860396.db2.gz HHWZLACNRZOFIC-UHFFFAOYSA-N 0 0 307.166 4.300 20 10 DICDRN COc1cc(Nc2ccc3c(c2)CCN3)cc(C(F)(F)F)c1 ZINC001159522668 1047860721 /nfs/dbraw/zinc/86/07/21/1047860721.db2.gz NNCIFWFBIMMMAI-UHFFFAOYSA-N 0 0 308.303 4.426 20 10 DICDRN CCCCC[C@@H](CC)C(=O)N[C@@H](C)c1cc(OC)ccc1O 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MGFPRAGSCDZPHO-CRAIPNDOSA-N 0 0 317.477 4.034 20 10 DICDRN C[C@@H](NC(=O)N(C)C1CCCCCC1)c1ccc(N(C)C)cc1 ZINC000776248323 1048473722 /nfs/dbraw/zinc/47/37/22/1048473722.db2.gz YBIPFJWAFBLHRZ-OAHLLOKOSA-N 0 0 317.477 4.178 20 10 DICDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2Nc1ncc(Cl)cn1 ZINC001163486442 1048477620 /nfs/dbraw/zinc/47/76/20/1048477620.db2.gz JXPNCQXFNIQEML-HNNXBMFYSA-N 0 0 317.820 4.188 20 10 DICDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2Nc1cc2c(nn1)CCC2 ZINC001163488193 1048477760 /nfs/dbraw/zinc/47/77/60/1048477760.db2.gz SZPSFBCQRZVYFR-IBGZPJMESA-N 0 0 323.440 4.023 20 10 DICDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2Nc1ccnc(C2CC2)n1 ZINC001163487485 1048477793 /nfs/dbraw/zinc/47/77/93/1048477793.db2.gz PATQEDWKTCBLSM-SFHVURJKSA-N 0 0 323.440 4.412 20 10 DICDRN O=S(=O)(Nc1ccc(/N=N/c2ccccc2)cc1)C1CCC1 ZINC001188130773 1048479629 /nfs/dbraw/zinc/47/96/29/1048479629.db2.gz QRDDTGSHVBIZMQ-ISLYRVAYSA-N 0 0 315.398 4.396 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000776257540 1048489080 /nfs/dbraw/zinc/48/90/80/1048489080.db2.gz YDKDVYNAFNJTHE-HOCLYGCPSA-N 0 0 301.817 4.472 20 10 DICDRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NCCCC1CC1 ZINC001163611495 1048494364 /nfs/dbraw/zinc/49/43/64/1048494364.db2.gz RDLVFOMUTUJSHH-UHFFFAOYSA-N 0 0 324.380 4.428 20 10 DICDRN Cc1cc(C)c(CNC(=O)c2ccc(C(C)(C)C)s2)c(O)c1 ZINC001188257008 1048494538 /nfs/dbraw/zinc/49/45/38/1048494538.db2.gz HLDOCTKLJJPMNH-UHFFFAOYSA-N 0 0 317.454 4.298 20 10 DICDRN Nc1ccc(CCc2ccc(Nc3cnn(C4CC4)c3)cc2)cc1 ZINC001175960671 1048505639 /nfs/dbraw/zinc/50/56/39/1048505639.db2.gz NSSSNGPOKVXJIK-UHFFFAOYSA-N 0 0 318.424 4.329 20 10 DICDRN CO[C@H](CSc1ncc(-c2ccccc2)n1C)C1CCCC1 ZINC001188400078 1048508857 /nfs/dbraw/zinc/50/88/57/1048508857.db2.gz BMXOTQMMJAVFEL-QGZVFWFLSA-N 0 0 316.470 4.384 20 10 DICDRN Cc1cccc(CNC(=O)Nc2ccc(C(F)(F)F)cc2)c1O ZINC001202419697 1048544996 /nfs/dbraw/zinc/54/49/96/1048544996.db2.gz RNRIXVMCTZYXFG-UHFFFAOYSA-N 0 0 324.302 4.041 20 10 DICDRN C[C@H](NC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1O ZINC001202418083 1048545083 /nfs/dbraw/zinc/54/50/83/1048545083.db2.gz GWKQOWVEYLJQCB-JTQLQIEISA-N 0 0 324.302 4.294 20 10 DICDRN Cc1ccc(NC(=O)NCc2ccc(N3CCCCC3)cc2)cc1 ZINC001202435787 1048552725 /nfs/dbraw/zinc/55/27/25/1048552725.db2.gz GCGULNOSPVSNPZ-UHFFFAOYSA-N 0 0 323.440 4.307 20 10 DICDRN Cc1cc(C[NH2+][C@@H](C)c2cccc(F)c2F)ccc1N(C)C ZINC000776310091 1048564184 /nfs/dbraw/zinc/56/41/84/1048564184.db2.gz ONCYCZWBNBYQBM-ZDUSSCGKSA-N 0 0 304.384 4.190 20 10 DICDRN CCOC(=O)C(C)(C)CSc1ncc(C(C)(C)C)s1 ZINC001188939491 1048568177 /nfs/dbraw/zinc/56/81/77/1048568177.db2.gz DDNUBGIJUWXKFM-UHFFFAOYSA-N 0 0 301.477 4.122 20 10 DICDRN Cc1cc(C)c(CNC(=O)Nc2cccc3ccccc32)c(O)c1 ZINC001188955247 1048572615 /nfs/dbraw/zinc/57/26/15/1048572615.db2.gz RQKFTRZNHIVVAS-UHFFFAOYSA-N 0 0 320.392 4.484 20 10 DICDRN COc1ccc(N(c2ccc(N)cc2)c2cnccc2OC)cc1 ZINC001176123986 1048577403 /nfs/dbraw/zinc/57/74/03/1048577403.db2.gz GCODALSYSYNGHC-UHFFFAOYSA-N 0 0 321.380 4.151 20 10 DICDRN Cc1noc(C)c1Nc1ccc(CCc2ccc(N)cc2)cc1 ZINC001176179176 1048583197 /nfs/dbraw/zinc/58/31/97/1048583197.db2.gz QZXCHERBRHKOCZ-UHFFFAOYSA-N 0 0 307.397 4.402 20 10 DICDRN Cc1noc(C)c1Nc1ccccc1C(=O)c1ccc(F)cc1 ZINC001176178546 1048583357 /nfs/dbraw/zinc/58/33/57/1048583357.db2.gz XEVCPXIKDXYASI-UHFFFAOYSA-N 0 0 310.328 4.405 20 10 DICDRN O=C(Nc1cccc(N2CCCCC2)c1)c1ccc2[nH]ccc2c1 ZINC000107567526 1048585020 /nfs/dbraw/zinc/58/50/20/1048585020.db2.gz CLSXISNSUSVQER-UHFFFAOYSA-N 0 0 319.408 4.411 20 10 DICDRN COc1ccc(Nc2ccccc2Cc2ccc(N)cc2)cc1O ZINC001176259410 1048625355 /nfs/dbraw/zinc/62/53/55/1048625355.db2.gz LEUADPWBXLLANI-UHFFFAOYSA-N 0 0 320.392 4.317 20 10 DICDRN COC(=O)c1cnc(S[C@H](C)CCc2ccccc2)s1 ZINC001189408009 1048627241 /nfs/dbraw/zinc/62/72/41/1048627241.db2.gz SPPPCIYRBSZSTH-LLVKDONJSA-N 0 0 307.440 4.043 20 10 DICDRN CCOc1cccc(CNc2cccc(F)c2SC)c1O ZINC000850347530 1048635970 /nfs/dbraw/zinc/63/59/70/1048635970.db2.gz WATAOHADFROTKV-UHFFFAOYSA-N 0 0 307.390 4.264 20 10 DICDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc2c(c1)CCCCC2 ZINC001164512594 1048637106 /nfs/dbraw/zinc/63/71/06/1048637106.db2.gz UADMZDNFYRCRBU-YRNVUSSQSA-N 0 0 323.392 4.019 20 10 DICDRN Oc1ccc(Cl)cc1CNc1ccc2c(c1)[C@@H](O)CCCC2 ZINC000850362715 1048638401 /nfs/dbraw/zinc/63/84/01/1048638401.db2.gz MXMVWEUOMWPJBI-SFHVURJKSA-N 0 0 317.816 4.418 20 10 DICDRN C[C@@H]([NH2+][C@H]1C=CCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000850506402 1048672558 /nfs/dbraw/zinc/67/25/58/1048672558.db2.gz AMZAQDGXRNXZNY-SCZZXKLOSA-N 0 0 316.626 4.177 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000850386512 1048647012 /nfs/dbraw/zinc/64/70/12/1048647012.db2.gz JWOOWJYXYZQBJC-OAHLLOKOSA-N 0 0 324.207 4.182 20 10 DICDRN CCc1cccc(CC)c1NC(=O)N1CCc2cccc(O)c2C1 ZINC001189764663 1048662639 /nfs/dbraw/zinc/66/26/39/1048662639.db2.gz JBDCFDNDXKHPHG-UHFFFAOYSA-N 0 0 324.424 4.107 20 10 DICDRN C[C@@H](Sc1ncc(Cl)s1)c1cn(-c2ccccc2)nn1 ZINC001189830991 1048669984 /nfs/dbraw/zinc/66/99/84/1048669984.db2.gz DCLICHYXXKZUCC-SECBINFHSA-N 0 0 322.846 4.231 20 10 DICDRN Nc1ccc(N(c2ccccc2)c2ccc3c(c2)CC(=O)N3)cc1 ZINC001176430120 1048669992 /nfs/dbraw/zinc/66/99/92/1048669992.db2.gz DUEVUPLPANJTDQ-UHFFFAOYSA-N 0 0 315.376 4.233 20 10 DICDRN C[C@@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])c1ccccn1 ZINC000850482025 1048670805 /nfs/dbraw/zinc/67/08/05/1048670805.db2.gz MAUOBOHQAORFPK-RYUDHWBXSA-N 0 0 324.346 4.260 20 10 DICDRN COc1cccc([C@@H](C)Nc2cc(C)c(C)cc2OC)c1O ZINC000850501188 1048671276 /nfs/dbraw/zinc/67/12/76/1048671276.db2.gz KMLWDFBBWUWBGP-CYBMUJFWSA-N 0 0 301.386 4.199 20 10 DICDRN CC[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)c1cccc(Cl)c1[O-] ZINC000850525152 1048678654 /nfs/dbraw/zinc/67/86/54/1048678654.db2.gz HAJHHEVZDUFARX-BBWFWOEESA-N 0 0 317.816 4.265 20 10 DICDRN C[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000850525778 1048679283 /nfs/dbraw/zinc/67/92/83/1048679283.db2.gz QRXSERDNBGWHHI-ZJUUUORDSA-N 0 0 316.228 4.061 20 10 DICDRN C[C@@H]([NH2+]CCc1ccoc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000850532628 1048685156 /nfs/dbraw/zinc/68/51/56/1048685156.db2.gz WLELXPINICZQNZ-SECBINFHSA-N 0 0 300.185 4.185 20 10 DICDRN C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1cccc(C(F)(F)F)c1[O-] ZINC000850535657 1048685226 /nfs/dbraw/zinc/68/52/26/1048685226.db2.gz YZJMKGDPBYEIHO-IJLUTSLNSA-N 0 0 317.351 4.019 20 10 DICDRN C[C@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000850537476 1048687218 /nfs/dbraw/zinc/68/72/18/1048687218.db2.gz VRGVXBMBOFNFOW-ZANVPECISA-N 0 0 323.305 4.497 20 10 DICDRN C[C@@H]([NH2+]CC1SCCS1)c1cc(Cl)c(Cl)cc1[O-] ZINC000850562052 1048692194 /nfs/dbraw/zinc/69/21/94/1048692194.db2.gz SGTSXRRKVGOQTB-SSDOTTSWSA-N 0 0 324.298 4.156 20 10 DICDRN C[C@@H]([NH2+]C1CCC2(CC2(F)F)CC1)c1cc(F)cc(F)c1[O-] ZINC000850550687 1048689095 /nfs/dbraw/zinc/68/90/95/1048689095.db2.gz PGSNJBRSRNVCBM-IWPPJYEWSA-N 0 0 317.326 4.289 20 10 DICDRN Oc1cccc2c1[C@@H](Nc1ccc(O[C@@H]3CC3(F)F)cc1)CC2 ZINC000850564940 1048694265 /nfs/dbraw/zinc/69/42/65/1048694265.db2.gz YQCLNGZAWGQYJG-GOEBONIOSA-N 0 0 317.335 4.278 20 10 DICDRN C[C@@H](Nc1ccc(O[C@H]2CC2(F)F)cc1)c1ccccc1O ZINC000850563947 1048695053 /nfs/dbraw/zinc/69/50/53/1048695053.db2.gz IMYRSUHQDPRQGG-BZNIZROVSA-N 0 0 305.324 4.352 20 10 DICDRN COc1cccc(C2([NH2+][C@H](C)c3ccc(F)cc3[O-])CCC2)c1 ZINC000850567278 1048696013 /nfs/dbraw/zinc/69/60/13/1048696013.db2.gz ZQEJBFAOOCNDFH-CYBMUJFWSA-N 0 0 315.388 4.270 20 10 DICDRN CC[C@H]([NH2+][C@@H](c1ccccc1)[C@@H](C)O)c1cccc(Cl)c1[O-] ZINC000850584859 1048700757 /nfs/dbraw/zinc/70/07/57/1048700757.db2.gz UDIBCVFPJUEMGB-OAUYIBNBSA-N 0 0 319.832 4.208 20 10 DICDRN CC[C@H]([NH2+][C@@H](c1ccccc1)[C@H](C)O)c1cccc(Cl)c1[O-] ZINC000850584857 1048701534 /nfs/dbraw/zinc/70/15/34/1048701534.db2.gz UDIBCVFPJUEMGB-AFAVFJNCSA-N 0 0 319.832 4.208 20 10 DICDRN CN(C(=O)Nc1ccc(N)cc1)C1CC(C)(C)CC(C)(C)C1 ZINC000850751254 1048706909 /nfs/dbraw/zinc/70/69/09/1048706909.db2.gz XTNDRZBCWMOQQI-UHFFFAOYSA-N 0 0 303.450 4.337 20 10 DICDRN COC(=O)c1cnc(S[C@H](C)c2ccc(Cl)cc2)s1 ZINC001166234892 1048741370 /nfs/dbraw/zinc/74/13/70/1048741370.db2.gz OBELBTXURPLDGK-MRVPVSSYSA-N 0 0 313.831 4.436 20 10 DICDRN Oc1ccccc1C[N@H+](Cc1cccnc1Cl)C1CCCC1 ZINC000109797501 1048742286 /nfs/dbraw/zinc/74/22/86/1048742286.db2.gz NZNCYUKMJWMXNI-UHFFFAOYSA-N 0 0 316.832 4.385 20 10 DICDRN COC(=O)[C@@H](Sc1ncc(Cl)s1)c1ccccc1C ZINC001166588182 1048766780 /nfs/dbraw/zinc/76/67/80/1048766780.db2.gz UVQCHUNJPZJTIA-NSHDSACASA-N 0 0 313.831 4.111 20 10 DICDRN Cc1cccc2c(=O)[nH]c(CSc3ncc(Cl)s3)nc12 ZINC001166595021 1048768011 /nfs/dbraw/zinc/76/80/11/1048768011.db2.gz OJULGGFZXXSKFB-UHFFFAOYSA-N 0 0 323.830 4.046 20 10 DICDRN C[C@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000775410356 1048784371 /nfs/dbraw/zinc/78/43/71/1048784371.db2.gz RCJOLSUGNCRNPA-LBPRGKRZSA-N 0 0 317.820 4.289 20 10 DICDRN Cc1cccc(C[NH2+]Cc2cc(C)cc(Br)c2[O-])c1 ZINC001177170613 1048835137 /nfs/dbraw/zinc/83/51/37/1048835137.db2.gz ALEWPGJBIFVCEA-UHFFFAOYSA-N 0 0 320.230 4.061 20 10 DICDRN C[C@@H](NC(=O)N1Cc2ccccc2[C@H]1C)c1ccc(N(C)C)cc1 ZINC000773613389 1048840711 /nfs/dbraw/zinc/84/07/11/1048840711.db2.gz QLFIXRLAHKBITH-HUUCEWRRSA-N 0 0 323.440 4.100 20 10 DICDRN CNc1ccc(Nc2ccccc2Cc2ccc(N)cc2)cn1 ZINC001203459014 1048905266 /nfs/dbraw/zinc/90/52/66/1048905266.db2.gz COJSBKVWDQACEG-UHFFFAOYSA-N 0 0 304.397 4.040 20 10 DICDRN CN(Cc1ccccc1)c1ccc(N(C)c2ccc(N)cc2)cn1 ZINC001203518585 1048915472 /nfs/dbraw/zinc/91/54/72/1048915472.db2.gz LHSIBKKUTBZBSC-UHFFFAOYSA-N 0 0 318.424 4.068 20 10 DICDRN Oc1ccccc1CN1CC[C@@H](c2ccccc2)C(F)(F)C1 ZINC001203563226 1048930547 /nfs/dbraw/zinc/93/05/47/1048930547.db2.gz VXLHRCPBOUQSCR-INIZCTEOSA-N 0 0 303.352 4.017 20 10 DICDRN Oc1ccccc1CN1CCc2cc(Cl)cc(Cl)c2C1 ZINC001203562335 1048931108 /nfs/dbraw/zinc/93/11/08/1048931108.db2.gz ILSJLOTYIRAPAF-UHFFFAOYSA-N 0 0 308.208 4.257 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC001203581043 1048935141 /nfs/dbraw/zinc/93/51/41/1048935141.db2.gz ZIMHFJPYGKISSC-LBPRGKRZSA-N 0 0 323.223 4.084 20 10 DICDRN COc1cccc(C[N@@H+]2CCC[C@H]2c2ccc(Cl)s2)c1O ZINC001203596045 1048937390 /nfs/dbraw/zinc/93/73/90/1048937390.db2.gz ZZFLRLFKHSRFNT-LBPRGKRZSA-N 0 0 323.845 4.453 20 10 DICDRN C[C@@H](CCC1CCCCC1)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001177844733 1048953128 /nfs/dbraw/zinc/95/31/28/1048953128.db2.gz UNMKZWOCCNOLIN-ZDUSSCGKSA-N 0 0 306.406 4.139 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)/C=C(/C)c1ccco1 ZINC000854373566 1048966033 /nfs/dbraw/zinc/96/60/33/1048966033.db2.gz JHDYZGCCYWTDLA-SQFISAMPSA-N 0 0 313.397 4.217 20 10 DICDRN COc1c(F)cc(F)cc1NCc1c(C)c2ccccc2n1C ZINC001178004632 1048973060 /nfs/dbraw/zinc/97/30/60/1048973060.db2.gz IZSPLVWHBMTHTG-UHFFFAOYSA-N 0 0 316.351 4.386 20 10 DICDRN CCN(C)c1ccc([C@@H](C)Nc2ccc(OC)cc2OC)cc1 ZINC000776753528 1048984200 /nfs/dbraw/zinc/98/42/00/1048984200.db2.gz PLLVDVQRWZSJJN-CQSZACIVSA-N 0 0 314.429 4.333 20 10 DICDRN Oc1ccc(Cl)c(F)c1CNc1ccc(-c2ccon2)cc1 ZINC001203800693 1048999730 /nfs/dbraw/zinc/99/97/30/1048999730.db2.gz YLUAGWJSAZJXKI-UHFFFAOYSA-N 0 0 318.735 4.452 20 10 DICDRN Oc1cccc2c1CN(Cc1ccc(Cl)c(Cl)c1)CC2 ZINC001203806528 1049002522 /nfs/dbraw/zinc/00/25/22/1049002522.db2.gz IXJOCRBLECWYHW-UHFFFAOYSA-N 0 0 308.208 4.257 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)COc1ccc(F)cc1F)c1ccccc1O ZINC000775487455 1049009200 /nfs/dbraw/zinc/00/92/00/1049009200.db2.gz CAUCUXFEORXCDA-LRDDRELGSA-N 0 0 321.367 4.179 20 10 DICDRN CCN(Cc1ncc(Cl)cc1Cl)c1ccc(OC)cc1 ZINC001191838862 1049010734 /nfs/dbraw/zinc/01/07/34/1049010734.db2.gz MRMKVZHMWPLIDO-UHFFFAOYSA-N 0 0 311.212 4.424 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccc(Cl)nc1)c1cc(Cl)ccc1O ZINC000775490656 1049013740 /nfs/dbraw/zinc/01/37/40/1049013740.db2.gz CZGNRBGAWCKKCW-CYBMUJFWSA-N 0 0 311.212 4.335 20 10 DICDRN COc1ccc(N(C)Cc2cc(C)nc3ccccc23)cc1F ZINC001191890745 1049014784 /nfs/dbraw/zinc/01/47/84/1049014784.db2.gz BAFKVFFJYULNPF-UHFFFAOYSA-N 0 0 310.372 4.327 20 10 DICDRN CC[C@@H](CSc1ccccc1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001178267819 1049014857 /nfs/dbraw/zinc/01/48/57/1049014857.db2.gz PDRZQVTUTJSIIU-AWEZNQCLSA-N 0 0 323.408 4.331 20 10 DICDRN CC[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775488572 1049015813 /nfs/dbraw/zinc/01/58/13/1049015813.db2.gz IZFWBQUKYUUKMP-ZWNOBZJWSA-N 0 0 318.244 4.309 20 10 DICDRN C[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001178317059 1049021158 /nfs/dbraw/zinc/02/11/58/1049021158.db2.gz FNVKEDBZHWLXHH-APPDUMDISA-N 0 0 303.352 4.084 20 10 DICDRN CCCCCCNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001191964462 1049026564 /nfs/dbraw/zinc/02/65/64/1049026564.db2.gz DVSFOGYLEOBHGB-UHFFFAOYSA-N 0 0 317.477 4.009 20 10 DICDRN CCOc1ccc(N(CC)Cc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC001192015004 1049030998 /nfs/dbraw/zinc/03/09/98/1049030998.db2.gz YFSCVHZQUVGPCF-UHFFFAOYSA-N 0 0 318.348 4.159 20 10 DICDRN CCOc1ccc(N(CC)Cc2nc(CCC(C)C)no2)cc1 ZINC001192014777 1049032278 /nfs/dbraw/zinc/03/22/78/1049032278.db2.gz VAYDGGAIGOKPDP-UHFFFAOYSA-N 0 0 317.433 4.083 20 10 DICDRN C[C@@H]1C[C@@H](CC(=O)NCc2c(O)cccc2F)CC(C)(C)C1 ZINC001178413294 1049036438 /nfs/dbraw/zinc/03/64/38/1049036438.db2.gz PXSBRZVNVVRVBM-OLZOCXBDSA-N 0 0 307.409 4.000 20 10 DICDRN CC[C@@H](C(=O)NCc1c(O)cccc1F)C1CCC(C)CC1 ZINC001178413841 1049036504 /nfs/dbraw/zinc/03/65/04/1049036504.db2.gz ZGEJAXXHLBJGAY-JXQTWKCFSA-N 0 0 307.409 4.000 20 10 DICDRN COc1ccc(N(CCc2cccnc2)Cc2ccccc2)cc1 ZINC001192060741 1049038681 /nfs/dbraw/zinc/03/86/81/1049038681.db2.gz HCUOMRNPRFHFGC-UHFFFAOYSA-N 0 0 318.420 4.340 20 10 DICDRN Cc1ncsc1/C=C/C(=O)N1CCCc2cccc(Cl)c21 ZINC000776814339 1049038654 /nfs/dbraw/zinc/03/86/54/1049038654.db2.gz CNCRLXOTIHIBDL-BQYQJAHWSA-N 0 0 318.829 4.098 20 10 DICDRN CC(C)(C)[C@@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC001178500767 1049041358 /nfs/dbraw/zinc/04/13/58/1049041358.db2.gz CWNNQPSAZJKNBD-HUUCEWRRSA-N 0 0 320.433 4.385 20 10 DICDRN CCN(CC)c1ccc(CNc2cccc3c2OCO3)cc1F ZINC001178468950 1049043185 /nfs/dbraw/zinc/04/31/85/1049043185.db2.gz HDOVJNKUVKHGJP-UHFFFAOYSA-N 0 0 316.376 4.013 20 10 DICDRN CC(C)Oc1cccnc1NC/C=C\c1ccc(N(C)C)cc1 ZINC001178505773 1049047510 /nfs/dbraw/zinc/04/75/10/1049047510.db2.gz XHMKQERSEUQDQO-ALCCZGGFSA-N 0 0 311.429 4.060 20 10 DICDRN CCCN(CCC)c1ccc(CNc2cncc(F)c2)cc1 ZINC001178589044 1049057359 /nfs/dbraw/zinc/05/73/59/1049057359.db2.gz BHMXEDYONJDRBK-UHFFFAOYSA-N 0 0 301.409 4.459 20 10 DICDRN CC[C@@H]([NH2+]C[C@H](OC)C(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775511639 1049057495 /nfs/dbraw/zinc/05/74/95/1049057495.db2.gz FZJYPIYVGSUWSN-OLZOCXBDSA-N 0 0 320.260 4.411 20 10 DICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CCCc2c(F)cccc21 ZINC001178827003 1049096828 /nfs/dbraw/zinc/09/68/28/1049096828.db2.gz KQXQTZFWBXGNFA-HNNXBMFYSA-N 0 0 323.770 4.491 20 10 DICDRN Cc1cc(NC(=O)NCc2cc3ccccc3cc2O)ccc1F ZINC001192409306 1049100992 /nfs/dbraw/zinc/10/09/92/1049100992.db2.gz WFOAPFAMTZXMFM-UHFFFAOYSA-N 0 0 324.355 4.315 20 10 DICDRN C[C@H](NC(=O)Nc1ccc2sccc2c1)c1ccccc1O ZINC001192462620 1049109818 /nfs/dbraw/zinc/10/98/18/1049109818.db2.gz QNCYGKSITNJYTC-NSHDSACASA-N 0 0 312.394 4.490 20 10 DICDRN Oc1ccccc1CNc1cccc(COCc2ccco2)c1 ZINC000114763497 1049118980 /nfs/dbraw/zinc/11/89/80/1049118980.db2.gz CVBYECCHIVAIEK-UHFFFAOYSA-N 0 0 309.365 4.314 20 10 DICDRN CC[C@@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1ccc(F)cc1[O-] ZINC000857080278 1049125428 /nfs/dbraw/zinc/12/54/28/1049125428.db2.gz FMQJDQBSGAAYAV-JOYOIKCWSA-N 0 0 306.208 4.156 20 10 DICDRN CC[C@@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1ccc(F)cc1[O-] ZINC000857080276 1049125715 /nfs/dbraw/zinc/12/57/15/1049125715.db2.gz FMQJDQBSGAAYAV-BXKDBHETSA-N 0 0 306.208 4.156 20 10 DICDRN CC1(C)CCC(C(=O)NCc2c(O)ccc3ccccc32)CC1 ZINC001179032436 1049125829 /nfs/dbraw/zinc/12/58/29/1049125829.db2.gz GUIOFGRLYSXTLV-UHFFFAOYSA-N 0 0 311.425 4.378 20 10 DICDRN CC[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1ccc(F)cc1[O-] ZINC000857080279 1049126040 /nfs/dbraw/zinc/12/60/40/1049126040.db2.gz FMQJDQBSGAAYAV-SKDRFNHKSA-N 0 0 306.208 4.156 20 10 DICDRN C[C@@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1ccc(Cl)cc1[O-] ZINC000857082178 1049127659 /nfs/dbraw/zinc/12/76/59/1049127659.db2.gz UEWLNHNQSHNEDS-BDAKNGLRSA-N 0 0 308.636 4.280 20 10 DICDRN CCc1c(N[C@H](CC)c2ccccc2O)cnn1CC(C)C ZINC000775540374 1049128423 /nfs/dbraw/zinc/12/84/23/1049128423.db2.gz KBICNNXAUQHJQS-OAHLLOKOSA-N 0 0 301.434 4.370 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)/C=C(\C)c1cccs1 ZINC000857098163 1049129238 /nfs/dbraw/zinc/12/92/38/1049129238.db2.gz BCJCLHVKIIMHLX-WYMLVPIESA-N 0 0 315.438 4.296 20 10 DICDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC001179139466 1049134551 /nfs/dbraw/zinc/13/45/51/1049134551.db2.gz ILJZHVNRVLVJPM-UHFFFAOYSA-N 0 0 318.150 4.267 20 10 DICDRN Cc1ccc(C[C@@H](C)[N@H+](C)Cc2cccc(Cl)c2[O-])cc1 ZINC001204309052 1049139092 /nfs/dbraw/zinc/13/90/92/1049139092.db2.gz XLIPKQWLMUTUFW-CQSZACIVSA-N 0 0 303.833 4.417 20 10 DICDRN CN(Cc1nc2ccccc2o1)Cc1ccc(N2CCCC2)cc1 ZINC001204322540 1049142875 /nfs/dbraw/zinc/14/28/75/1049142875.db2.gz RLKGWTFAZMTLOS-UHFFFAOYSA-N 0 0 321.424 4.060 20 10 DICDRN Cc1ccc(C2CC2)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000857433774 1049146081 /nfs/dbraw/zinc/14/60/81/1049146081.db2.gz QDHJULLGEUSXCH-UHFFFAOYSA-N 0 0 322.452 4.211 20 10 DICDRN CN(C)c1ccc2c(c1)OCCN2CC[C@@H]1CCc2ccccc21 ZINC001192939883 1049157079 /nfs/dbraw/zinc/15/70/79/1049157079.db2.gz VMSXNCWNMZUFKD-KRWDZBQOSA-N 0 0 322.452 4.072 20 10 DICDRN COc1cc(C)c(N[C@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000775565814 1049169141 /nfs/dbraw/zinc/16/91/41/1049169141.db2.gz PTISFGAKXBXSKD-CYBMUJFWSA-N 0 0 302.393 4.382 20 10 DICDRN COc1cc(C)c(N[C@@H](C)c2cc(F)cc(F)c2O)cc1F ZINC000775567219 1049171618 /nfs/dbraw/zinc/17/16/18/1049171618.db2.gz YGMVFGRPPURDCT-VIFPVBQESA-N 0 0 311.303 4.300 20 10 DICDRN COc1ccc(-n2c(C)cc(-c3nc(C4CCC4)no3)c2C)cc1 ZINC000904869231 1049172652 /nfs/dbraw/zinc/17/26/52/1049172652.db2.gz SLHYBDMUBQJLMM-UHFFFAOYSA-N 0 0 323.396 4.420 20 10 DICDRN O=C(Nc1cc2ccccc2s1)c1ccc(O)c(O)c1Cl ZINC001193210408 1049187709 /nfs/dbraw/zinc/18/77/09/1049187709.db2.gz YLSZEYWRDDBFFV-UHFFFAOYSA-N 0 0 319.769 4.218 20 10 DICDRN Cc1ccc(C[C@@H]2CCC[N@@H+]2Cc2cc(F)cc(F)c2[O-])cc1 ZINC001204571767 1049191744 /nfs/dbraw/zinc/19/17/44/1049191744.db2.gz CXFNPBIQFJCMOW-KRWDZBQOSA-N 0 0 317.379 4.186 20 10 DICDRN Cc1ccc(C[C@H]2CCC[N@@H+]2Cc2cc(F)cc(F)c2[O-])cc1 ZINC001204571768 1049192429 /nfs/dbraw/zinc/19/24/29/1049192429.db2.gz CXFNPBIQFJCMOW-QGZVFWFLSA-N 0 0 317.379 4.186 20 10 DICDRN Cc1c2ccccc2n(C)c1CNc1ccc2c(c1)C[C@@H](C)O2 ZINC001179695236 1049193510 /nfs/dbraw/zinc/19/35/10/1049193510.db2.gz GJJKEYNPJOJVOK-CYBMUJFWSA-N 0 0 306.409 4.422 20 10 DICDRN CCc1nc2cc(NCc3c(O)cccc3Cl)ccc2o1 ZINC000148913569 1049203927 /nfs/dbraw/zinc/20/39/27/1049203927.db2.gz UCFOLQWUKAYUEV-UHFFFAOYSA-N 0 0 302.761 4.361 20 10 DICDRN Cc1c2ccccc2n(C)c1CNc1nc2cc(F)ccc2n1C ZINC001179810540 1049210044 /nfs/dbraw/zinc/21/00/44/1049210044.db2.gz OECXHHSNPRAGOD-UHFFFAOYSA-N 0 0 322.387 4.125 20 10 DICDRN CCN(C)c1ccc(C[NH2+][C@H](c2ncc(C)s2)C2CC2)cc1 ZINC000773834520 1049212762 /nfs/dbraw/zinc/21/27/62/1049212762.db2.gz GIFNYZFGVSGLJH-KRWDZBQOSA-N 0 0 315.486 4.149 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCCC23CC3)cc1 ZINC000858201534 1049226498 /nfs/dbraw/zinc/22/64/98/1049226498.db2.gz OZQJTPJRZJHFOI-SFHVURJKSA-N 0 0 314.473 4.072 20 10 DICDRN CCC[C@H]1CCCN1C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001179949028 1049235741 /nfs/dbraw/zinc/23/57/41/1049235741.db2.gz POQGAPBGJOJMSG-IBGZPJMESA-N 0 0 324.468 4.428 20 10 DICDRN C[C@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1cc(F)cc(F)c1[O-] ZINC000858483944 1049262201 /nfs/dbraw/zinc/26/22/01/1049262201.db2.gz FCQYNBIJTBNJBY-APPDUMDISA-N 0 0 318.367 4.257 20 10 DICDRN [O-]c1c(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)ccc(F)c1F ZINC001180043180 1049264379 /nfs/dbraw/zinc/26/43/79/1049264379.db2.gz PMEWCGYNOYNPLK-MRXNPFEDSA-N 0 0 317.379 4.268 20 10 DICDRN CCC(F)(F)C(C)(C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000858515019 1049268143 /nfs/dbraw/zinc/26/81/43/1049268143.db2.gz ZGVVUWPGQYOVNF-VIFPVBQESA-N 0 0 307.331 4.393 20 10 DICDRN CC[C@H]([NH2+]Cc1cc(C)n(-c2ccccc2)c1C)c1ccn(C)n1 ZINC000858541664 1049271547 /nfs/dbraw/zinc/27/15/47/1049271547.db2.gz CTBAZHGLLIGXHT-IBGZPJMESA-N 0 0 322.456 4.069 20 10 DICDRN COCc1ccc(N[C@H](C)c2cc(Cl)ccc2O)cc1OC ZINC000858567583 1049275888 /nfs/dbraw/zinc/27/58/88/1049275888.db2.gz FUJIRZZFFWKAGJ-LLVKDONJSA-N 0 0 321.804 4.374 20 10 DICDRN Cc1cc2ccc(NC(=O)/C=C/c3ccc(N(C)C)cc3)cc2[nH]1 ZINC001180128496 1049276362 /nfs/dbraw/zinc/27/63/62/1049276362.db2.gz NCWDEYSIAFJHLO-IZZDOVSWSA-N 0 0 319.408 4.194 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1ccns1)c1cc2c(cc1O)CCCC2 ZINC000858575551 1049277973 /nfs/dbraw/zinc/27/79/73/1049277973.db2.gz ALFGBKIQQQIQQV-NEPJUHHUSA-N 0 0 302.443 4.139 20 10 DICDRN [O-]c1c(C[N@H+](Cc2ccccc2F)C2CCC2)ccc(F)c1F ZINC001180112110 1049288197 /nfs/dbraw/zinc/28/81/97/1049288197.db2.gz GTMKWMNOEYQKOZ-UHFFFAOYSA-N 0 0 321.342 4.364 20 10 DICDRN Cc1ccc(CN(C)C(=O)/C=C/c2ccc(N(C)C)cc2)cc1C ZINC001180126165 1049295194 /nfs/dbraw/zinc/29/51/94/1049295194.db2.gz HNKXAHQXPYMYSN-JLHYYAGUSA-N 0 0 322.452 4.041 20 10 DICDRN CN(C)c1ccc(/C=C/C(=O)Nc2ccccc2C(F)F)cc1 ZINC001180126532 1049295720 /nfs/dbraw/zinc/29/57/20/1049295720.db2.gz WSGCNMPYLNLGQM-FMIVXFBMSA-N 0 0 316.351 4.342 20 10 DICDRN COc1cc(C)c(NC(=O)/C=C/c2ccc(N(C)C)cc2)cc1C ZINC001180128210 1049295733 /nfs/dbraw/zinc/29/57/33/1049295733.db2.gz FRSAXGUFPGKDNC-DHZHZOJOSA-N 0 0 324.424 4.030 20 10 DICDRN COc1ccc2c(c1)CCN2Cc1ccccc1CC(F)(F)F ZINC001180295933 1049337773 /nfs/dbraw/zinc/33/77/73/1049337773.db2.gz CNLNCRQHJFRWJW-UHFFFAOYSA-N 0 0 321.342 4.363 20 10 DICDRN CC[C@@H]1CCCC[N@@H+]1Cc1cc(C)cc(Br)c1[O-] ZINC001205046528 1049351998 /nfs/dbraw/zinc/35/19/98/1049351998.db2.gz QVLQHHXMNCKZOX-CYBMUJFWSA-N 0 0 312.251 4.228 20 10 DICDRN CC(C)c1cccc(C(=O)NCc2cccc(Cl)c2O)c1 ZINC001180410183 1049359259 /nfs/dbraw/zinc/35/92/59/1049359259.db2.gz LGHJYMYZRHDWOY-UHFFFAOYSA-N 0 0 303.789 4.099 20 10 DICDRN O=C(NCc1cccc(Cl)c1O)c1cccc(C2CCC2)c1 ZINC001180411412 1049359415 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CC(C)OCCCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788736094 1050742829 /nfs/dbraw/zinc/74/28/29/1050742829.db2.gz DQOYOTDHHSVGFH-GFCCVEGCSA-N 0 0 319.367 4.267 20 10 DICDRN COc1c2ccccc2oc1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000788982198 1050770478 /nfs/dbraw/zinc/77/04/78/1050770478.db2.gz WBBQIBFRVPLXHL-NSHDSACASA-N 0 0 315.344 4.137 20 10 DICDRN CC[C@H](CC(C)C)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC001144977108 1050783866 /nfs/dbraw/zinc/78/38/66/1050783866.db2.gz AYAYGHOTIHLFBE-MRXNPFEDSA-N 0 0 322.468 4.360 20 10 DICDRN CCCC(C)(C)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC001144977092 1050785154 /nfs/dbraw/zinc/78/51/54/1050785154.db2.gz APSAAKJNEUEMQI-UHFFFAOYSA-N 0 0 308.441 4.114 20 10 DICDRN CCOC1CC(CN(C)c2ccc(-c3nccs3)cc2)C1 ZINC000846991841 1050792570 /nfs/dbraw/zinc/79/25/70/1050792570.db2.gz HPJQFAXUISSOQS-UHFFFAOYSA-N 0 0 302.443 4.061 20 10 DICDRN CN(CC(F)(F)C(F)F)c1ccc(-c2nccs2)cc1 ZINC000846990418 1050793083 /nfs/dbraw/zinc/79/30/83/1050793083.db2.gz AWPRVRZJPASKHZ-UHFFFAOYSA-N 0 0 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CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCCC1(C)C ZINC000789981798 1050902756 /nfs/dbraw/zinc/90/27/56/1050902756.db2.gz DEEZDMHXNGCEBT-INIZCTEOSA-N 0 0 303.446 4.347 20 10 DICDRN Cc1cccc(N(C)C(=O)/C=C/c2cnc(C(C)(C)C)s2)c1 ZINC000742618611 1050903519 /nfs/dbraw/zinc/90/35/19/1050903519.db2.gz JDMLKXLTZRLSAY-MDZDMXLPSA-N 0 0 314.454 4.425 20 10 DICDRN Cc1cc(C(=O)N2CCC(C)(C)C2)c(C)n1-c1ccc(F)cc1 ZINC000742876509 1050949460 /nfs/dbraw/zinc/94/94/60/1050949460.db2.gz YPNJTKFQEFHGKZ-UHFFFAOYSA-N 0 0 314.404 4.105 20 10 DICDRN C[C@H](NCc1ncc(C(C)(C)C)s1)c1ccc(N(C)C)cc1 ZINC000790475953 1050960097 /nfs/dbraw/zinc/96/00/97/1050960097.db2.gz WGPHCWCSKVQABW-ZDUSSCGKSA-N 0 0 317.502 4.357 20 10 DICDRN CCCCCC[C@@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000742952601 1050961009 /nfs/dbraw/zinc/96/10/09/1050961009.db2.gz NHDQIJXEULHFKQ-OAHLLOKOSA-N 0 0 318.461 4.085 20 10 DICDRN CO[C@@H]1CCOc2c(NCc3c(O)cccc3Cl)cccc21 ZINC000790487182 1050962509 /nfs/dbraw/zinc/96/25/09/1050962509.db2.gz VVMQLMLNUYAMEI-MRXNPFEDSA-N 0 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DICDRN C=CC(=O)Oc1ccc(NCc2cc3ccccc3cc2O)cc1 ZINC001171406768 1051094335 /nfs/dbraw/zinc/09/43/35/1051094335.db2.gz FBAZNKCERFNPLO-UHFFFAOYSA-N 0 0 319.360 4.249 20 10 DICDRN COC(=N)c1cccc(NCc2cc3ccccc3cc2O)c1 ZINC001171407256 1051095747 /nfs/dbraw/zinc/09/57/47/1051095747.db2.gz MTLXFQVKRGURCY-UHFFFAOYSA-N 0 0 306.365 4.129 20 10 DICDRN Cc1ccc([C@@H](C)Nc2cc3c(cc2Cl)OCO3)c(O)c1 ZINC000036969614 1051103404 /nfs/dbraw/zinc/10/34/04/1051103404.db2.gz WXVIFPITZLUJTI-SNVBAGLBSA-N 0 0 305.761 4.256 20 10 DICDRN Clc1ccc(N2CC=C(c3ccc(Cl)nc3)CC2)nc1 ZINC000773246732 1051117600 /nfs/dbraw/zinc/11/76/00/1051117600.db2.gz BTHWBYWSQUQQEL-UHFFFAOYSA-N 0 0 306.196 4.077 20 10 DICDRN Clc1ccc(C2=CCN(c3ncccc3Cl)CC2)cn1 ZINC000773253976 1051119612 /nfs/dbraw/zinc/11/96/12/1051119612.db2.gz HLWRDNVUHWNVLX-UHFFFAOYSA-N 0 0 306.196 4.077 20 10 DICDRN CC[C@H](C)n1ncc(NCc2cc(Cl)cc(OC)c2O)c1C ZINC000792192422 1051125617 /nfs/dbraw/zinc/12/56/17/1051125617.db2.gz KBHYGIWDCPDXJK-JTQLQIEISA-N 0 0 323.824 4.142 20 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WLSRZTRWILSQEU-UHFFFAOYSA-N 0 0 313.788 4.152 20 10 DICDRN COc1cccc(CNC(=O)CC(C)(C)C2CCCCC2)c1O ZINC000793689959 1051333327 /nfs/dbraw/zinc/33/33/27/1051333327.db2.gz QXFBHAHSRXQBSV-UHFFFAOYSA-N 0 0 319.445 4.014 20 10 DICDRN Cc1ccc(F)c(N(c2ccc(N)cc2)c2ccc(N)cc2)c1O ZINC001215741266 1051335430 /nfs/dbraw/zinc/33/54/30/1051335430.db2.gz GSBGWVDXYKKCKQ-UHFFFAOYSA-N 0 0 323.371 4.474 20 10 DICDRN CC[C@H]([NH2+][C@H]1CCCO[C@@H]1CC(C)C)c1ccc(F)cc1[O-] ZINC000796953118 1051335586 /nfs/dbraw/zinc/33/55/86/1051335586.db2.gz MCQUBBWYRJDRNV-XYJFISCASA-N 0 0 309.425 4.166 20 10 DICDRN Cc1ccc(-c2ccc(C)c(NC(=O)c3cccc(O)c3O)c2)o1 ZINC000794095180 1051354303 /nfs/dbraw/zinc/35/43/03/1051354303.db2.gz QCOUETDZWZKVAY-UHFFFAOYSA-N 0 0 323.348 4.227 20 10 DICDRN Cc1cc(C(=O)N[C@H]2CCCC23CC3)c(C)n1-c1cccc(C)c1 ZINC001170447350 1051373040 /nfs/dbraw/zinc/37/30/40/1051373040.db2.gz SJGZUBNYOKEGAN-IBGZPJMESA-N 0 0 322.452 4.465 20 10 DICDRN COc1ccc2cc(/C=C/C(=O)Nc3ccc(N)cc3)ccc2c1 ZINC000746478673 1051435770 /nfs/dbraw/zinc/43/57/70/1051435770.db2.gz NAWZYLIXAKPUHZ-QDEBKDIKSA-N 0 0 318.376 4.083 20 10 DICDRN C[C@@H](c1ccc(Cl)cc1)N1CCOc2cc(N(C)C)ccc21 ZINC001168860349 1051454241 /nfs/dbraw/zinc/45/42/41/1051454241.db2.gz XQWLSPZFAKYOLE-ZDUSSCGKSA-N 0 0 316.832 4.366 20 10 DICDRN c1cc2c(c(-c3noc(-c4nnsc4C4CC4)n3)c1)CCCC2 ZINC001212679616 1051494050 /nfs/dbraw/zinc/49/40/50/1051494050.db2.gz LNZHUSGTEWGXCN-UHFFFAOYSA-N 0 0 324.409 4.011 20 10 DICDRN Cc1ccc(C)n1-c1ccc(-c2noc(-c3cc[nH]c3C)n2)cc1 ZINC001212683983 1051521841 /nfs/dbraw/zinc/52/18/41/1051521841.db2.gz FQXAYUDGLFIKKX-UHFFFAOYSA-N 0 0 318.380 4.448 20 10 DICDRN CC(C)CN(C(=O)/C=C\c1cccnc1)c1ccccc1Cl ZINC001129810585 1051530968 /nfs/dbraw/zinc/53/09/68/1051530968.db2.gz VXGWKUCJBTYSHX-KTKRTIGZSA-N 0 0 314.816 4.437 20 10 DICDRN CC(C)c1snnc1-c1nc(-c2ccc3occc3c2)no1 ZINC001212687298 1051531488 /nfs/dbraw/zinc/53/14/88/1051531488.db2.gz MCPDZBXCKCQGNV-UHFFFAOYSA-N 0 0 312.354 4.125 20 10 DICDRN CC(C)c1snnc1-c1nc(-c2cccc(Cl)c2F)no1 ZINC001212687558 1051534504 /nfs/dbraw/zinc/53/45/04/1051534504.db2.gz ZMLOZNCVWMJCLU-UHFFFAOYSA-N 0 0 324.768 4.171 20 10 DICDRN Cc1ncsc1/C=C\C(=O)N(CC(C)C)c1ccc(C)cc1 ZINC001129859591 1051543478 /nfs/dbraw/zinc/54/34/78/1051543478.db2.gz IDXWSPPKWQSZOQ-KTKRTIGZSA-N 0 0 314.454 4.462 20 10 DICDRN Cc1ccc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c(C)c1 ZINC001129973259 1051582805 /nfs/dbraw/zinc/58/28/05/1051582805.db2.gz FGYYFMLSCZWPGA-KRWDZBQOSA-N 0 0 324.468 4.039 20 10 DICDRN CCC(CC)[C@H](C)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000761512974 1051585262 /nfs/dbraw/zinc/58/52/62/1051585262.db2.gz UPWWYIIWXSDBTR-HNNXBMFYSA-N 0 0 304.478 4.173 20 10 DICDRN COc1ccc(Nc2cccc3c2C(=O)c2ccccc2-3)cc1N ZINC001216261232 1051662316 /nfs/dbraw/zinc/66/23/16/1051662316.db2.gz ZQOPFQPELFSEKN-UHFFFAOYSA-N 0 0 316.360 4.232 20 10 DICDRN COc1ccc(N(Cc2ccccc2)c2ccc(N)cc2)cc1N ZINC001216260118 1051662595 /nfs/dbraw/zinc/66/25/95/1051662595.db2.gz RLBZURKZOXJZTB-UHFFFAOYSA-N 0 0 319.408 4.198 20 10 DICDRN Cc1ccc(C)n1-c1ccc(-c2nc(-c3ccccn3)no2)cc1 ZINC001216262897 1051664559 /nfs/dbraw/zinc/66/45/59/1051664559.db2.gz IUXLVDQGCYRDAX-UHFFFAOYSA-N 0 0 316.364 4.206 20 10 DICDRN COc1ccc(N(C)Cc2nc(Cl)ccc2Cl)cc1F ZINC000766796369 1051677006 /nfs/dbraw/zinc/67/70/06/1051677006.db2.gz KUSZYMYAMUKCTI-UHFFFAOYSA-N 0 0 315.175 4.173 20 10 DICDRN CC[C@H]([NH2+]C[C@H]1CCCCO1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806133694 1051732312 /nfs/dbraw/zinc/73/23/12/1051732312.db2.gz CAZXGVJKHRWIRL-RISCZKNCSA-N 0 0 318.244 4.309 20 10 DICDRN CC[C@H]([NH2+]C[C@@H](C)COC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806132868 1051732839 /nfs/dbraw/zinc/73/28/39/1051732839.db2.gz BVNATNALCIHKTL-RNCFNFMXSA-N 0 0 306.233 4.022 20 10 DICDRN CC[C@@H]([NH2+]CCCOC1CCCC1)c1cccc(Cl)c1[O-] ZINC000806135731 1051734746 /nfs/dbraw/zinc/73/47/46/1051734746.db2.gz OCJWBKOEQAZNIJ-MRXNPFEDSA-N 0 0 311.853 4.436 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H](O)c1ccc(C)cc1)c1cccc(Cl)c1[O-] ZINC000806133268 1051735331 /nfs/dbraw/zinc/73/53/31/1051735331.db2.gz KQGBNRWQXYHCBN-IAGOWNOFSA-N 0 0 319.832 4.128 20 10 DICDRN CC[C@@H]([NH2+]CCN(C)C(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806136530 1051736538 /nfs/dbraw/zinc/73/65/38/1051736538.db2.gz DWICDOHGMAGSKQ-CQSZACIVSA-N 0 0 319.276 4.080 20 10 DICDRN CC[C@H]([NH2+]C[C@@H](O)c1ccccc1C)c1cccc(Cl)c1[O-] ZINC000806138992 1051738860 /nfs/dbraw/zinc/73/88/60/1051738860.db2.gz GNNOKAYTHZKLLR-DLBZAZTESA-N 0 0 319.832 4.128 20 10 DICDRN CC[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cc(Cl)cc(Cl)c1[O-] ZINC000806139708 1051739834 /nfs/dbraw/zinc/73/98/34/1051739834.db2.gz QPRNRQIYVRKUJV-IHRRRGAJSA-N 0 0 318.244 4.043 20 10 DICDRN CC[C@H]([NH2+]CCOc1ccccc1)c1cccc(Cl)c1[O-] ZINC000806128404 1051743642 /nfs/dbraw/zinc/74/36/42/1051743642.db2.gz KKFLMPKSNNIWOL-INIZCTEOSA-N 0 0 305.805 4.165 20 10 DICDRN CCOc1ncccc1C[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000806129494 1051744022 /nfs/dbraw/zinc/74/40/22/1051744022.db2.gz GNJHAIBODPIMOT-HNNXBMFYSA-N 0 0 320.820 4.080 20 10 DICDRN CC[C@@H]([NH2+]CCSC(F)(F)F)c1cccc(Cl)c1[O-] ZINC000806130675 1051744952 /nfs/dbraw/zinc/74/49/52/1051744952.db2.gz CKEZUFXOGGYHFR-SNVBAGLBSA-N 0 0 313.772 4.339 20 10 DICDRN CC[C@H]([NH2+]C[C@H](CO)C(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806169644 1051745526 /nfs/dbraw/zinc/74/55/26/1051745526.db2.gz OPJNXTYLUIQRMY-YGRLFVJLSA-N 0 0 320.260 4.004 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H](CO)C(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806169642 1051745619 /nfs/dbraw/zinc/74/56/19/1051745619.db2.gz OPJNXTYLUIQRMY-IINYFYTJSA-N 0 0 320.260 4.004 20 10 DICDRN CC[C@H]([NH2+]C[C@@H](CO)C(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000806169531 1051745699 /nfs/dbraw/zinc/74/56/99/1051745699.db2.gz MUKQFWDSKIUYLD-GWCFXTLKSA-N 0 0 320.260 4.004 20 10 DICDRN CC[C@H](Nc1cccc(C(=O)N(C)CC)c1)c1ccccc1O ZINC000806169361 1051746308 /nfs/dbraw/zinc/74/63/08/1051746308.db2.gz FEIFNAMLZKDYET-KRWDZBQOSA-N 0 0 312.413 4.047 20 10 DICDRN CC/C=C/CNC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl ZINC001129354122 1051746418 /nfs/dbraw/zinc/74/64/18/1051746418.db2.gz IAXXSLDGTODMJA-AATRIKPKSA-N 0 0 316.832 4.444 20 10 DICDRN Cc1oc2ccccc2c1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000767043561 1051746908 /nfs/dbraw/zinc/74/69/08/1051746908.db2.gz AZQQNPVVNJNPJG-UHFFFAOYSA-N 0 0 322.408 4.079 20 10 DICDRN CC[C@H]([NH2+][C@@H](CC)C1CCOCC1)c1cccc(Cl)c1[O-] ZINC000806140920 1051748899 /nfs/dbraw/zinc/74/88/99/1051748899.db2.gz DOTYMEGFKLRTHZ-HOTGVXAUSA-N 0 0 311.853 4.292 20 10 DICDRN CC[C@H]([NH2+]CCc1sc(C)nc1C)c1cccc(Cl)c1[O-] ZINC000806139315 1051749032 /nfs/dbraw/zinc/74/90/32/1051749032.db2.gz NPXVSUGFRSOEAA-AWEZNQCLSA-N 0 0 324.877 4.402 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)CSC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806141833 1051749520 /nfs/dbraw/zinc/74/95/20/1051749520.db2.gz WYMFBFWEBZWSET-PRHODGIISA-N 0 0 308.274 4.491 20 10 DICDRN CCC[C@](C)(O)C[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806140186 1051750226 /nfs/dbraw/zinc/75/02/26/1051750226.db2.gz VSJPYNJJWRGAMC-ZFWWWQNUSA-N 0 0 320.260 4.291 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)CSC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806141834 1051750869 /nfs/dbraw/zinc/75/08/69/1051750869.db2.gz WYMFBFWEBZWSET-QPUJVOFHSA-N 0 0 308.274 4.491 20 10 DICDRN CC[C@@H]([NH2+]CC1CCC(OC)CC1)c1cccc(Cl)c1[O-] ZINC000806143897 1051751821 /nfs/dbraw/zinc/75/18/21/1051751821.db2.gz NEIIVOYEDSTHNY-SEEARECTSA-N 0 0 311.853 4.292 20 10 DICDRN CC[C@H]([NH2+][C@H](C)Cc1ccncc1)c1cccc(Cl)c1[O-] ZINC000806143340 1051752272 /nfs/dbraw/zinc/75/22/72/1051752272.db2.gz UNSJHKNDOWMCGV-WBMJQRKESA-N 0 0 304.821 4.113 20 10 DICDRN CC[C@@H](O)CCC[NH2+][C@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806147040 1051752487 /nfs/dbraw/zinc/75/24/87/1051752487.db2.gz FOMGCAUIZURHGI-BXUZGUMPSA-N 0 0 320.260 4.291 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CCO[C@H](C(C)C)C1)c1cccc(Cl)c1[O-] ZINC000806144311 1051753047 /nfs/dbraw/zinc/75/30/47/1051753047.db2.gz UWVVAZORNYCNDX-KCXAZCMYSA-N 0 0 311.853 4.290 20 10 DICDRN CC[C@H]([NH2+][C@@H](COC)C1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806150009 1051755537 /nfs/dbraw/zinc/75/55/37/1051755537.db2.gz ZZUIKGBPHDIJCN-KBPBESRZSA-N 0 0 318.244 4.165 20 10 DICDRN CC[C@H]([NH2+]C[C@]1(C)CCO[C@@H]1C1CC1)c1cccc(Cl)c1[O-] ZINC000806157940 1051760680 /nfs/dbraw/zinc/76/06/80/1051760680.db2.gz CELDTTNXJNHHSD-JQHSSLGASA-N 0 0 323.864 4.292 20 10 DICDRN CC[C@H](Nc1cccc2c1OCO2)c1cccc(Cl)c1O ZINC000806157376 1051761290 /nfs/dbraw/zinc/76/12/90/1051761290.db2.gz FLODGKIVOIRWJZ-LBPRGKRZSA-N 0 0 305.761 4.338 20 10 DICDRN CC[C@@H]([NH2+]CCOC(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806158639 1051761435 /nfs/dbraw/zinc/76/14/35/1051761435.db2.gz NRYZTEZXCAENAI-CYBMUJFWSA-N 0 0 306.233 4.165 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)[C@@H](C)OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806161281 1051762691 /nfs/dbraw/zinc/76/26/91/1051762691.db2.gz JCYZWZQPHUDHHK-RWEMILLDSA-N 0 0 306.233 4.163 20 10 DICDRN CCOC[C@H](C)[NH2+][C@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806159655 1051763291 /nfs/dbraw/zinc/76/32/91/1051763291.db2.gz BARODKMVZYAUEM-TVQRCGJNSA-N 0 0 306.233 4.165 20 10 DICDRN CC[C@@H]([NH2+]CCC[C@H]1CCCCO1)c1cccc(Cl)c1[O-] ZINC000806160628 1051763771 /nfs/dbraw/zinc/76/37/71/1051763771.db2.gz UCBPOJFXGPITOV-CZUORRHYSA-N 0 0 311.853 4.436 20 10 DICDRN CC[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806166571 1051767146 /nfs/dbraw/zinc/76/71/46/1051767146.db2.gz UDDIVJHIPOIAOU-HJIKLVIJSA-N 0 0 320.285 4.491 20 10 DICDRN C[C@@H]([NH2+][C@H]1CCC1(C)C)c1cc(Br)cc(F)c1[O-] ZINC000806168772 1051767672 /nfs/dbraw/zinc/76/76/72/1051767672.db2.gz AATBKEHYTKQTKO-PELKAZGASA-N 0 0 316.214 4.133 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1cc(Br)cc(F)c1[O-] ZINC000806168773 1051767820 /nfs/dbraw/zinc/76/78/20/1051767820.db2.gz AATBKEHYTKQTKO-PRHODGIISA-N 0 0 316.214 4.133 20 10 DICDRN Cc1cc(Cl)ccc1/C=C1\SC(=S)N(C2CC2)C1=O ZINC000767358750 1051794522 /nfs/dbraw/zinc/79/45/22/1051794522.db2.gz DQZNBUUNJPLMBO-GHXNOFRVSA-N 0 0 309.843 4.012 20 10 DICDRN Nc1ccc(OC(=O)c2ccc(Nc3ccc(F)cc3)cc2)cc1 ZINC001173799347 1051806592 /nfs/dbraw/zinc/80/65/92/1051806592.db2.gz CJVMZBVMOKGCFC-UHFFFAOYSA-N 0 0 322.339 4.371 20 10 DICDRN COc1ccc(C(=O)c2ccccc2Nc2cccnc2)cc1 ZINC001173856686 1051831128 /nfs/dbraw/zinc/83/11/28/1051831128.db2.gz AVUINMSYUZNIAF-UHFFFAOYSA-N 0 0 304.349 4.065 20 10 DICDRN CC[C@@H](N[C@@H](C1CC1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000806662692 1051843469 /nfs/dbraw/zinc/84/34/69/1051843469.db2.gz OKADVCFVGJJFIX-CABCVRRESA-N 0 0 300.368 4.134 20 10 DICDRN CCCCCC[C@@](C)(CC)C(=O)NCCc1ccc(O)c(O)c1 ZINC000767776700 1051846993 /nfs/dbraw/zinc/84/69/93/1051846993.db2.gz VZPNCRKIHIEOQV-LJQANCHMSA-N 0 0 321.461 4.143 20 10 DICDRN CC[C@@H](C)NC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000747354310 1051856104 /nfs/dbraw/zinc/85/61/04/1051856104.db2.gz IXIQWOQKKAUJBJ-GFCCVEGCSA-N 0 0 318.848 4.205 20 10 DICDRN CN(C)c1ccc(CN(C)C(=O)NC2CCCCCCC2)cc1 ZINC000807169864 1051880202 /nfs/dbraw/zinc/88/02/02/1051880202.db2.gz OANNYDNDLXLYFV-UHFFFAOYSA-N 0 0 317.477 4.007 20 10 DICDRN CC(C)[C@H](C)[N@H+](Cc1cccc(Br)c1[O-])C1CC1 ZINC000768137677 1051887903 /nfs/dbraw/zinc/88/79/03/1051887903.db2.gz MAVQCCPNBMESGV-NSHDSACASA-N 0 0 312.251 4.164 20 10 DICDRN Oc1cccc(Cl)c1CN(Cc1ccco1)Cc1ccco1 ZINC000768192077 1051901543 /nfs/dbraw/zinc/90/15/43/1051901543.db2.gz PHRDHWIZLNRMPG-UHFFFAOYSA-N 0 0 317.772 4.434 20 10 DICDRN [O-]c1c(Br)cccc1C[N@H+](C1CC1)C1CCCC1 ZINC000768252771 1051909022 /nfs/dbraw/zinc/90/90/22/1051909022.db2.gz PBSRPUGVMRPWEP-UHFFFAOYSA-N 0 0 310.235 4.062 20 10 DICDRN CC1(c2ccccc2)CCC(NC(=O)C2=CC(=O)CS2)CC1 ZINC000768387952 1051929229 /nfs/dbraw/zinc/92/92/29/1051929229.db2.gz XHNILQNOCYFMIG-UHFFFAOYSA-N 0 0 315.438 4.084 20 10 DICDRN COc1cccc(N(c2ccc(N)cc2)c2ccc(N)cc2)c1F ZINC001173974949 1051936201 /nfs/dbraw/zinc/93/62/01/1051936201.db2.gz RHXZQODOUQHAHE-UHFFFAOYSA-N 0 0 323.371 4.469 20 10 DICDRN C[C@@H](NC(=O)C1=CC(=O)CS1)c1ccc(F)c2ccccc21 ZINC000807900367 1051941553 /nfs/dbraw/zinc/94/15/53/1051941553.db2.gz GDYDGWKUZWJZLP-SNVBAGLBSA-N 0 0 315.369 4.237 20 10 DICDRN C[C@H](NC(=O)C1=CC(=O)CS1)c1ccc(F)c2ccccc21 ZINC000807900365 1051941896 /nfs/dbraw/zinc/94/18/96/1051941896.db2.gz GDYDGWKUZWJZLP-JTQLQIEISA-N 0 0 315.369 4.237 20 10 DICDRN Cc1c(C)c(NCc2ccc(O)c(O)c2)ccc1Br ZINC001169994925 1051959611 /nfs/dbraw/zinc/95/96/11/1051959611.db2.gz MNHGKPXHLVHWIB-UHFFFAOYSA-N 0 0 322.202 4.089 20 10 DICDRN Oc1ccc(C(F)(F)F)cc1Nc1ccnc2ccccc21 ZINC001174040057 1051961099 /nfs/dbraw/zinc/96/10/99/1051961099.db2.gz PTXJCMQDYTZETK-UHFFFAOYSA-N 0 0 304.271 4.125 20 10 DICDRN COc1ccc(N(c2ccc(N)cc2)c2cccnc2OC)cc1 ZINC001174042991 1051964238 /nfs/dbraw/zinc/96/42/38/1051964238.db2.gz KTMPHEWZBWAMLG-UHFFFAOYSA-N 0 0 321.380 4.151 20 10 DICDRN Oc1ccc(CNc2nc3ccccc3c3ccccc32)cc1O ZINC001169996507 1051969817 /nfs/dbraw/zinc/96/98/17/1051969817.db2.gz ANYOTCQTNZMURE-UHFFFAOYSA-N 0 0 316.360 4.411 20 10 DICDRN Cc1cc(NCc2ccc(O)c(O)c2)c(OC(C)C)cc1C ZINC001169997087 1051973193 /nfs/dbraw/zinc/97/31/93/1051973193.db2.gz PMKSVJGXUXEWOM-UHFFFAOYSA-N 0 0 301.386 4.114 20 10 DICDRN COCc1ccccc1N(c1ccc(N)cc1)c1ccc(N)cc1 ZINC001174106350 1051980569 /nfs/dbraw/zinc/98/05/69/1051980569.db2.gz XCVJIPOHAQCLMD-UHFFFAOYSA-N 0 0 319.408 4.467 20 10 DICDRN C[C@H]1CCC[C@H]1CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000768982809 1051986382 /nfs/dbraw/zinc/98/63/82/1051986382.db2.gz GLMFJJZCTHIOMH-WMZOPIPTSA-N 0 0 314.473 4.119 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)C1CCC(C)(C)CC1 ZINC000769011215 1051994385 /nfs/dbraw/zinc/99/43/85/1051994385.db2.gz DSXHNRRVCDTIKU-UHFFFAOYSA-N 0 0 303.446 4.347 20 10 DICDRN C[C@H]1CN(Cc2c(O)cccc2Cl)C[C@@H](c2ccccc2)O1 ZINC000769106576 1051997447 /nfs/dbraw/zinc/99/74/47/1051997447.db2.gz RHHROUPBRVTKFT-UGSOOPFHSA-N 0 0 317.816 4.008 20 10 DICDRN C[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@H](c2ccccc2)O1 ZINC000769103805 1052000339 /nfs/dbraw/zinc/00/03/39/1052000339.db2.gz CEQJBKRXEYXPGW-FZKQIMNGSA-N 0 0 317.816 4.008 20 10 DICDRN COc1ccc(N(c2ccc(N)cc2)c2cncc(OC)c2)cc1 ZINC001174091014 1052002063 /nfs/dbraw/zinc/00/20/63/1052002063.db2.gz IEIJBQWMIITXPX-UHFFFAOYSA-N 0 0 321.380 4.151 20 10 DICDRN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C(C1CC1)C1CC1 ZINC000769192206 1052003763 /nfs/dbraw/zinc/00/37/63/1052003763.db2.gz JMHSEQSXCAWEML-UHFFFAOYSA-N 0 0 300.229 4.319 20 10 DICDRN COc1ccc(Nc2ccccc2C(=O)c2ccncc2)c(F)c1 ZINC001174147703 1052018672 /nfs/dbraw/zinc/01/86/72/1052018672.db2.gz VTWGHBSOSQFKJK-UHFFFAOYSA-N 0 0 322.339 4.204 20 10 DICDRN CN(C)c1ccc(CN(C(=O)CC2CCCCC2)C2CC2)cc1 ZINC000914437822 1052021212 /nfs/dbraw/zinc/02/12/12/1052021212.db2.gz KPKKBTLNCFRCNH-UHFFFAOYSA-N 0 0 314.473 4.214 20 10 DICDRN C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000808443773 1052022509 /nfs/dbraw/zinc/02/25/09/1052022509.db2.gz GQSWFZTZGYWFDY-RFAUZJTJSA-N 0 0 324.207 4.311 20 10 DICDRN C[C@H]1SCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@H]1C ZINC000769445682 1052055921 /nfs/dbraw/zinc/05/59/21/1052055921.db2.gz KIOYBGGOUDJIEG-DTWKUNHWSA-N 0 0 306.258 4.025 20 10 DICDRN COc1cccc(C[N@@H+]2C[C@@H](c3ccccc3C)C[C@@H]2C)c1O ZINC000769466059 1052061729 /nfs/dbraw/zinc/06/17/29/1052061729.db2.gz HFKPILYEMYZQAK-RDJZCZTQSA-N 0 0 311.425 4.087 20 10 DICDRN CCOc1ccc(O)c(CN(Cc2ccccc2)CC(F)F)c1 ZINC000769505840 1052068573 /nfs/dbraw/zinc/06/85/73/1052068573.db2.gz IWEUVLCMDGAUQI-UHFFFAOYSA-N 0 0 321.367 4.058 20 10 DICDRN CCCCCC[C@@](C)(CC)C(=O)NCc1cccc(OC)c1O ZINC000769503564 1052068659 /nfs/dbraw/zinc/06/86/59/1052068659.db2.gz MNPOYFGGRXKNPZ-LJQANCHMSA-N 0 0 321.461 4.404 20 10 DICDRN Cc1cc(Cl)cc([C@@H](C)Nc2cccc3c2OCO3)c1O ZINC000808713152 1052074115 /nfs/dbraw/zinc/07/41/15/1052074115.db2.gz KKQVXHDWPRSVQF-SNVBAGLBSA-N 0 0 305.761 4.256 20 10 DICDRN Cc1cc(Cl)cc([C@@H](C)N[C@@H](C2CC2)C(F)(F)F)c1O ZINC000808719845 1052079494 /nfs/dbraw/zinc/07/94/94/1052079494.db2.gz XKMRCOMSUFRJCY-OQPBUACISA-N 0 0 307.743 4.346 20 10 DICDRN Cc1cc(Cl)cc([C@H](C)N[C@@H](C2CC2)C(F)(F)F)c1O ZINC000808719847 1052080795 /nfs/dbraw/zinc/08/07/95/1052080795.db2.gz XKMRCOMSUFRJCY-SDBXPKJASA-N 0 0 307.743 4.346 20 10 DICDRN Cc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1C ZINC000914484402 1052082001 /nfs/dbraw/zinc/08/20/01/1052082001.db2.gz JFNGFWSEWQZEKS-UHFFFAOYSA-N 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HTBBQAWBKZAOFC-QGZVFWFLSA-N 0 0 304.478 4.221 20 10 DICDRN C[C@@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)C1CCCC1 ZINC001351163011 1053142750 /nfs/dbraw/zinc/14/27/50/1053142750.db2.gz LNYWVJYVIQYSFT-MRXNPFEDSA-N 0 0 314.473 4.072 20 10 DICDRN C/C(=C/c1ccc(C)cc1)C(=O)NCc1ccc(N(C)C)cc1C ZINC001360075533 1053181521 /nfs/dbraw/zinc/18/15/21/1053181521.db2.gz ILZIJXHLJQZSJH-ATVHPVEESA-N 0 0 322.452 4.089 20 10 DICDRN [O-]c1cc(Cl)ccc1C[NH2+][C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC001474726432 1053186402 /nfs/dbraw/zinc/18/64/02/1053186402.db2.gz QWZUJOLPQKNOEE-YEORSEQZSA-N 0 0 323.770 4.360 20 10 DICDRN Nc1cc(Nc2ccccc2C(=O)c2ccccc2)ccc1F ZINC001212339889 1053186537 /nfs/dbraw/zinc/18/65/37/1053186537.db2.gz QPRYARZPWOWUNL-UHFFFAOYSA-N 0 0 306.340 4.383 20 10 DICDRN CC[C@H](CC1CCCC1)C(=O)NCc1ccc(N(C)C)cc1C ZINC001360273622 1053209099 /nfs/dbraw/zinc/20/90/99/1053209099.db2.gz OSQJLERWCGBXDA-QGZVFWFLSA-N 0 0 316.489 4.284 20 10 DICDRN CC[C@@H](CC(=O)N(C)Cc1ccc(N2CCCC2)cc1)C(C)C ZINC001351672363 1053209548 /nfs/dbraw/zinc/20/95/48/1053209548.db2.gz DNGVRKZVRXUXBU-SFHVURJKSA-N 0 0 316.489 4.318 20 10 DICDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCCC(C)(C)C ZINC001351674429 1053210111 /nfs/dbraw/zinc/21/01/11/1053210111.db2.gz VDMBDSHBXKPFOO-UHFFFAOYSA-N 0 0 316.489 4.462 20 10 DICDRN Cc1ccc(/C=C/C(=O)N(C)c2cc(Cl)cc(Cl)c2)cn1 ZINC001360337682 1053215175 /nfs/dbraw/zinc/21/51/75/1053215175.db2.gz MEWXSUVOLHLAJZ-AATRIKPKSA-N 0 0 321.207 4.373 20 10 DICDRN CC[C@@H](C)CCCCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001351737782 1053217565 /nfs/dbraw/zinc/21/75/65/1053217565.db2.gz GPCZOIGJOIHQAT-CQSZACIVSA-N 0 0 308.441 4.114 20 10 DICDRN CCCN(CCC)c1ccc(CNc2nnc(C3CC3)o2)cc1 ZINC000181510911 1053230817 /nfs/dbraw/zinc/23/08/17/1053230817.db2.gz PQPLCKMIMATZLT-UHFFFAOYSA-N 0 0 314.433 4.186 20 10 DICDRN COc1ccc(N(Cc2cccs2)Cc2ccncc2)cc1 ZINC000181541068 1053234734 /nfs/dbraw/zinc/23/47/34/1053234734.db2.gz SAIPRNQBKVBHIJ-UHFFFAOYSA-N 0 0 310.422 4.359 20 10 DICDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc[nH]1 ZINC000181584450 1053254411 /nfs/dbraw/zinc/25/44/11/1053254411.db2.gz XAVMCVJOIHZHMM-HNNXBMFYSA-N 0 0 320.392 4.124 20 10 DICDRN CS[C@H]1CC[C@H]([N@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001319829544 1053278383 /nfs/dbraw/zinc/27/83/83/1053278383.db2.gz ZKGAGSVPHFADLR-RYUDHWBXSA-N 0 0 320.285 4.415 20 10 DICDRN COc1ccc(N(Cc2cnoc2C)Cc2ccccc2)cc1 ZINC000181747596 1053288828 /nfs/dbraw/zinc/28/88/28/1053288828.db2.gz UJUBSXONLNGGFU-UHFFFAOYSA-N 0 0 308.381 4.198 20 10 DICDRN COc1ccccc1C1([NH2+][C@@H](C)c2ccc(F)cc2[O-])CCC1 ZINC001320253671 1053320643 /nfs/dbraw/zinc/32/06/43/1053320643.db2.gz YCJFNSQHIQAABT-ZDUSSCGKSA-N 0 0 315.388 4.270 20 10 DICDRN C[C@@H]([NH2+]Cc1ccc2c(c1)CCC2)c1cc(F)cc(F)c1[O-] ZINC001320410718 1053331161 /nfs/dbraw/zinc/33/11/61/1053331161.db2.gz GBZVLVMMXZIVLE-LLVKDONJSA-N 0 0 303.352 4.010 20 10 DICDRN Cc1ncccc1/C=C\C(=O)N(CC1CCC1)c1ccccc1 ZINC001361266351 1053349387 /nfs/dbraw/zinc/34/93/87/1053349387.db2.gz SLJZVYVFONESSL-SEYXRHQNSA-N 0 0 306.409 4.237 20 10 DICDRN CC[C@@H](C)n1ncc(NCc2ccc(N3CCCC3)cc2)c1C ZINC001320836792 1053365360 /nfs/dbraw/zinc/36/53/60/1053365360.db2.gz NPJWFDLBJCHRGE-OAHLLOKOSA-N 0 0 312.461 4.375 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCCC[C@@H]2C)cc1 ZINC001352601243 1053366033 /nfs/dbraw/zinc/36/60/33/1053366033.db2.gz PZCWTCXLWHJWKR-LIRRHRJNSA-N 0 0 310.441 4.403 20 10 DICDRN Cc1cc(CC(=O)N2CC[C@H](C)[C@H](C)C2)c(C)n1-c1ccccc1 ZINC001545801742 1053366257 /nfs/dbraw/zinc/36/62/57/1053366257.db2.gz CIVNWFGODIIKJG-JKSUJKDBSA-N 0 0 324.468 4.141 20 10 DICDRN Cc1cccnc1CNC(=S)Nc1ccc2ccccc2c1 ZINC000242929797 1053386691 /nfs/dbraw/zinc/38/66/91/1053386691.db2.gz GYSGFNDELDNTBT-UHFFFAOYSA-N 0 0 307.422 4.030 20 10 DICDRN CC[C@@H](OC1=CC(=O)C=CC1=NNc1ccccc1)C(=O)OC ZINC001229816792 1053410707 /nfs/dbraw/zinc/41/07/07/1053410707.db2.gz UMRVLAJYRDAHCK-AMGRQBIBSA-N 0 0 314.341 4.138 20 10 DICDRN COc1ccc(O)c([C@@H](C)N[C@H](C)c2ncc(C(C)(C)C)o2)c1 ZINC000182436107 1053438278 /nfs/dbraw/zinc/43/82/78/1053438278.db2.gz DFGFNGXLWWZIQW-VXGBXAGGSA-N 0 0 318.417 4.098 20 10 DICDRN CC[C@H]([NH2+]C[C@H](OC)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC001321903475 1053442112 /nfs/dbraw/zinc/44/21/12/1053442112.db2.gz HOOCXAONAUPCPO-WMZOPIPTSA-N 0 0 321.367 4.099 20 10 DICDRN CS/C=C/c1nnc(-c2cc(C)n(-c3ccccc3)c2C)o1 ZINC001322101566 1053457752 /nfs/dbraw/zinc/45/77/52/1053457752.db2.gz YISXZULVBAKQNK-MDZDMXLPSA-N 0 0 311.410 4.478 20 10 DICDRN CCCN(C(=O)/C=C\c1cccnc1C)c1ccc(Cl)cc1 ZINC001435163844 1053459405 /nfs/dbraw/zinc/45/94/05/1053459405.db2.gz WCDFBIQZTOAFFS-WDZFZDKYSA-N 0 0 314.816 4.500 20 10 DICDRN Cc1cccc(Cl)c1NC(=S)N[C@@H](C)c1ccccc1O ZINC001200204185 1053461731 /nfs/dbraw/zinc/46/17/31/1053461731.db2.gz OFTPIYRKETXZHA-NSHDSACASA-N 0 0 320.845 4.402 20 10 DICDRN CC(C)Oc1ccc(N(C)Cc2cnn(C(C)(C)C)c2)cc1 ZINC000763542041 1053472026 /nfs/dbraw/zinc/47/20/26/1053472026.db2.gz CUJQBCZDXQZOJN-UHFFFAOYSA-N 0 0 301.434 4.062 20 10 DICDRN CC[C@H]([NH2+]CCCOCc1ccccc1)c1ccc(F)cc1[O-] ZINC001322444649 1053505379 /nfs/dbraw/zinc/50/53/79/1053505379.db2.gz GFUQQXZLAQFXPY-SFHVURJKSA-N 0 0 317.404 4.179 20 10 DICDRN CC[C@H](C)CNC(=S)Nc1cccc2c1C(=O)c1ccccc1-2 ZINC001200263143 1053508594 /nfs/dbraw/zinc/50/85/94/1053508594.db2.gz LTJXKOYSWQIVKB-LBPRGKRZSA-N 0 0 324.449 4.231 20 10 DICDRN Cc1ccc2c(c1)N(C(=O)/C=C/c1ccc(Cl)nc1)CCC2 ZINC001353304825 1053534308 /nfs/dbraw/zinc/53/43/08/1053534308.db2.gz VKOKTZRSQGGMGC-RMKNXTFCSA-N 0 0 312.800 4.036 20 10 DICDRN CC[C@@H]([NH2+]CCCc1nc(C)cs1)c1cccc(Cl)c1[O-] ZINC001323422441 1053580974 /nfs/dbraw/zinc/58/09/74/1053580974.db2.gz XUBKEYMIUGIDQR-CQSZACIVSA-N 0 0 324.877 4.484 20 10 DICDRN Cc1ncccc1/C=C/C(=O)N(C)c1c(Cl)cccc1Cl ZINC001435621097 1053620371 /nfs/dbraw/zinc/62/03/71/1053620371.db2.gz UOIGPLRZRYDBGB-CMDGGOBGSA-N 0 0 321.207 4.373 20 10 DICDRN CC[C@@H](F)C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC001353630058 1053630125 /nfs/dbraw/zinc/63/01/25/1053630125.db2.gz VQXQBWYGINNFLH-WMLDXEAASA-N 0 0 315.388 4.230 20 10 DICDRN Cc1cccc2nc(NCc3ccc(N4CCCC4)cc3)oc21 ZINC001324233746 1053635497 /nfs/dbraw/zinc/63/54/97/1053635497.db2.gz CVMFNBGJXAPGKR-UHFFFAOYSA-N 0 0 307.397 4.349 20 10 DICDRN Oc1ccccc1CN(Cc1ccco1)Cc1cccn1C1CC1 ZINC001324647258 1053669340 /nfs/dbraw/zinc/66/93/40/1053669340.db2.gz SXWSZRSUAXQZDN-UHFFFAOYSA-N 0 0 322.408 4.324 20 10 DICDRN CN(C)c1ccc(/N=N/c2ccc(OC[C@@H]3CCO3)cc2)cc1 ZINC001231249786 1053710333 /nfs/dbraw/zinc/71/03/33/1053710333.db2.gz WZKPIYXINXRBTH-NQKFGRBQSA-N 0 0 311.385 4.336 20 10 DICDRN C[C@@H](Nc1cc(F)c(N2CCCC2)c(F)c1)c1ccccc1O ZINC000183651325 1053713447 /nfs/dbraw/zinc/71/34/47/1053713447.db2.gz PKKAIXXTEZRCHD-GFCCVEGCSA-N 0 0 318.367 4.444 20 10 DICDRN C[C@@H](Oc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccco1 ZINC001231266169 1053714073 /nfs/dbraw/zinc/71/40/73/1053714073.db2.gz OYLREQDVRKDIHD-GFCCVEGCSA-N 0 0 318.328 4.195 20 10 DICDRN Cc1ccc(O[C@H]2CCCOC2=O)c(/N=N/c2ccccc2)c1 ZINC001231327800 1053728545 /nfs/dbraw/zinc/72/85/45/1053728545.db2.gz UAGXWFUHNFKASG-NRTINQSCSA-N 0 0 310.353 4.495 20 10 DICDRN C[C@H](NC(=O)[C@H]1CCCC[C@@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC001435952960 1053735770 /nfs/dbraw/zinc/73/57/70/1053735770.db2.gz DCCDUHNXQIYWDH-KYNGSXCRSA-N 0 0 314.473 4.146 20 10 DICDRN C[C@H](NC(=O)c1ccccc1C1(C)CC1)c1ccc(N(C)C)cc1 ZINC001435953289 1053736306 /nfs/dbraw/zinc/73/63/06/1053736306.db2.gz GOIQALJBBHHOOO-HNNXBMFYSA-N 0 0 322.452 4.295 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@H](F)C1 ZINC001325852893 1053738148 /nfs/dbraw/zinc/73/81/48/1053738148.db2.gz CPUNCQKZDBTQRR-HOCLYGCPSA-N 0 0 307.409 4.049 20 10 DICDRN COC(C)(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)o1 ZINC001326067746 1053751252 /nfs/dbraw/zinc/75/12/52/1053751252.db2.gz GEPKXNVKCROUOF-UHFFFAOYSA-N 0 0 311.385 4.026 20 10 DICDRN CCOc1ccccc1NCc1cc(F)c(N(C)C)cc1F ZINC001200561456 1053763386 /nfs/dbraw/zinc/76/33/86/1053763386.db2.gz BPFFCUMPIYXCMK-UHFFFAOYSA-N 0 0 306.356 4.042 20 10 DICDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])CCC1(F)F ZINC001237616269 1053782515 /nfs/dbraw/zinc/78/25/15/1053782515.db2.gz AHQPGFHRJHJWQR-SECBINFHSA-N 0 0 307.743 4.052 20 10 DICDRN CCOCc1ccc(N[C@@H](C)c2cccc(OC)c2O)cc1 ZINC001326484131 1053784554 /nfs/dbraw/zinc/78/45/54/1053784554.db2.gz NFDSHFSIQOEUGU-ZDUSSCGKSA-N 0 0 301.386 4.110 20 10 DICDRN CC[C@@H]1CCCC[C@@H]1C(=O)Nc1c2nonc2ccc1Cl ZINC001436138397 1053791877 /nfs/dbraw/zinc/79/18/77/1053791877.db2.gz PXCBDHPPCPFFCQ-ZJUUUORDSA-N 0 0 307.781 4.031 20 10 DICDRN Oc1ccc2ccccc2c1CN1CCCC[C@@H]1C(F)(F)F ZINC001231590426 1053791969 /nfs/dbraw/zinc/79/19/69/1053791969.db2.gz ZQQCAEPUBLFNBO-MRXNPFEDSA-N 0 0 309.331 4.462 20 10 DICDRN Cc1cccc(CN2CC[C@@H](c3ccccc3)C(F)(F)C2)c1O ZINC001231594460 1053793342 /nfs/dbraw/zinc/79/33/42/1053793342.db2.gz FOBZDVPVHJEYOH-KRWDZBQOSA-N 0 0 317.379 4.325 20 10 DICDRN C[C@H](NC(=S)Nc1ccc(F)c(Cl)c1)c1ccccc1O ZINC001200593861 1053798034 /nfs/dbraw/zinc/79/80/34/1053798034.db2.gz PLBVENLXIWKDLI-VIFPVBQESA-N 0 0 324.808 4.232 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCc1cc2ccccc2o1 ZINC001200639407 1053840621 /nfs/dbraw/zinc/84/06/21/1053840621.db2.gz GZPAHOCKQYKBCA-UHFFFAOYSA-N 0 0 319.763 4.263 20 10 DICDRN CCc1cccc(CNc2ccc(N3CCCC3=O)c(C)c2)c1O ZINC001327196261 1053840778 /nfs/dbraw/zinc/84/07/78/1053840778.db2.gz ZAFGVRXBHFZLFJ-UHFFFAOYSA-N 0 0 324.424 4.002 20 10 DICDRN Cc1ccncc1/C=C/C(=O)N1CC[C@@H](C)c2cccc(C)c21 ZINC001436458433 1053869942 /nfs/dbraw/zinc/86/99/42/1053869942.db2.gz DWFRCSYXUHFNET-MVGZEHJDSA-N 0 0 306.409 4.252 20 10 DICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1CCCCC1 ZINC000071806291 1053871269 /nfs/dbraw/zinc/87/12/69/1053871269.db2.gz DXVCATZXNPJVNF-UHFFFAOYSA-N 0 0 314.473 4.216 20 10 DICDRN Cc1cc(CC(=O)N(CC2CC2)C(C)C)c(C)n1-c1ccccc1 ZINC001354504807 1053888936 /nfs/dbraw/zinc/88/89/36/1053888936.db2.gz HUKCFMOIPPYWHT-UHFFFAOYSA-N 0 0 324.468 4.284 20 10 DICDRN CCCCN(C(=O)c1ccc(-n2c(C)ccc2C)cc1)C1CC1 ZINC001354524738 1053895789 /nfs/dbraw/zinc/89/57/89/1053895789.db2.gz BOPCYBSOBACPIO-UHFFFAOYSA-N 0 0 310.441 4.499 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)c2cccc(C3CC3)c2)cc1 ZINC001354542245 1053902355 /nfs/dbraw/zinc/90/23/55/1053902355.db2.gz WRFWXPHPPBEXKA-UHFFFAOYSA-N 0 0 322.452 4.340 20 10 DICDRN C[N@H+](Cc1nc2ccccc2o1)Cc1ccc2ccccc2c1O ZINC001231881612 1053904545 /nfs/dbraw/zinc/90/45/45/1053904545.db2.gz YTBDVKLWIBVZEL-UHFFFAOYSA-N 0 0 318.376 4.319 20 10 DICDRN C[N@H+](Cc1cccc(Cl)c1[O-])C(C)(C)Cc1ccccc1 ZINC001231914804 1053915715 /nfs/dbraw/zinc/91/57/15/1053915715.db2.gz QVAXKWUHJWAEEX-UHFFFAOYSA-N 0 0 303.833 4.499 20 10 DICDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001231911473 1053915813 /nfs/dbraw/zinc/91/58/13/1053915813.db2.gz GUOHJDOAOVUNBE-OAHLLOKOSA-N 0 0 301.817 4.110 20 10 DICDRN CC[N@H+](CCc1ccc(OC)cc1)Cc1cccc(Cl)c1[O-] ZINC001231912926 1053916531 /nfs/dbraw/zinc/91/65/31/1053916531.db2.gz DTZIKJQYBZBHQB-UHFFFAOYSA-N 0 0 319.832 4.119 20 10 DICDRN Cc1ccc(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)s1 ZINC001354630958 1053928660 /nfs/dbraw/zinc/92/86/60/1053928660.db2.gz SIGPXNFHCQMEQP-UHFFFAOYSA-N 0 0 324.449 4.394 20 10 DICDRN CC(C)(C)c1ccc(C2(C(=O)Nc3ccc(N)cc3)CC2)cc1 ZINC001328462195 1053934142 /nfs/dbraw/zinc/93/41/42/1053934142.db2.gz GYKFRJLGDDRXPE-UHFFFAOYSA-N 0 0 308.425 4.237 20 10 DICDRN Cc1ncsc1/C=C/C(=O)N1CCCc2ccc(C)c(C)c21 ZINC001436817201 1053975356 /nfs/dbraw/zinc/97/53/56/1053975356.db2.gz VDAGORYRNZEUFY-CMDGGOBGSA-N 0 0 312.438 4.061 20 10 DICDRN COc1cc(O)c(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)cc1Cl ZINC001232270066 1054009857 /nfs/dbraw/zinc/00/98/57/1054009857.db2.gz RRSNSLQENKZHTL-OLZOCXBDSA-N 0 0 309.837 4.066 20 10 DICDRN COc1cc(O)c(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)cc1Cl ZINC001232271229 1054010159 /nfs/dbraw/zinc/01/01/59/1054010159.db2.gz RRSNSLQENKZHTL-CHWSQXEVSA-N 0 0 309.837 4.066 20 10 DICDRN O=C(C1=CC(=O)CS1)N1CCC[C@H]1c1cccc(Cl)c1 ZINC001329976200 1054012690 /nfs/dbraw/zinc/01/26/90/1054012690.db2.gz KRNFNKXJQMANDP-ZDUSSCGKSA-N 0 0 307.802 4.084 20 10 DICDRN C[C@H]([NH2+]C1CC2(CC2(F)F)C1)c1cccc(C(F)(F)F)c1[O-] ZINC001330320843 1054035359 /nfs/dbraw/zinc/03/53/59/1054035359.db2.gz XBHQKEGXEQQYJC-BVDKZHGWSA-N 0 0 321.289 4.249 20 10 DICDRN O=C(Nc1cccc(N2CCCC2)c1)c1cc(F)cc2ccoc21 ZINC001355129157 1054062387 /nfs/dbraw/zinc/06/23/87/1054062387.db2.gz CXKGACPAFWCLJD-UHFFFAOYSA-N 0 0 324.355 4.424 20 10 DICDRN CC(C)C(=O)Nc1cccc(N[C@@H]2CCc3cccc(O)c32)c1 ZINC000296926253 1054090303 /nfs/dbraw/zinc/09/03/03/1054090303.db2.gz PTYPWMGTUOLWLH-MRXNPFEDSA-N 0 0 310.397 4.086 20 10 DICDRN Cc1ncc(/C=C\C(=O)N2CC3(CCCC3)c3ccccc32)s1 ZINC001355294653 1054104003 /nfs/dbraw/zinc/10/40/03/1054104003.db2.gz MILDQYGLTYGFAZ-HJWRWDBZSA-N 0 0 324.449 4.323 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCC[C@H](F)C2)cc1 ZINC001331987436 1054104925 /nfs/dbraw/zinc/10/49/25/1054104925.db2.gz ZZTIZSYBRQYNHP-IRXDYDNUSA-N 0 0 320.452 4.020 20 10 DICDRN C[C@@H](Cc1ccccn1)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000848565816 1054153437 /nfs/dbraw/zinc/15/34/37/1054153437.db2.gz STXYHFWSFQBSRT-RYUDHWBXSA-N 0 0 324.346 4.088 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)c1ccc(F)cc1[O-] ZINC000848568071 1054155084 /nfs/dbraw/zinc/15/50/84/1054155084.db2.gz XQFUJRIKSQYCOR-WDEREUQCSA-N 0 0 301.352 4.396 20 10 DICDRN Cc1cc(CNC(=O)C(F)=C2CCC2)c(C)n1-c1ccccc1 ZINC001438307323 1054164152 /nfs/dbraw/zinc/16/41/52/1054164152.db2.gz YTJMJDGEJZLWLN-UHFFFAOYSA-N 0 0 312.388 4.118 20 10 DICDRN [O-]c1c(C[NH+]2CCC(Cc3ccccc3)CC2)ccc(F)c1F ZINC001233074145 1054180630 /nfs/dbraw/zinc/18/06/30/1054180630.db2.gz HVTPMKHKSQXBOZ-UHFFFAOYSA-N 0 0 317.379 4.125 20 10 DICDRN C[N@H+](Cc1ccc2ccccc2c1)Cc1ccc(F)c(F)c1[O-] ZINC001233078737 1054182677 /nfs/dbraw/zinc/18/26/77/1054182677.db2.gz HYRVUDQPURNAQU-UHFFFAOYSA-N 0 0 313.347 4.456 20 10 DICDRN [O-]c1c(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)ccc(F)c1F ZINC001233080095 1054183527 /nfs/dbraw/zinc/18/35/27/1054183527.db2.gz POGDSVXFWBLAGK-OAHLLOKOSA-N 0 0 321.342 4.017 20 10 DICDRN COc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(F)c(F)c2[O-])c1 ZINC001233078193 1054184036 /nfs/dbraw/zinc/18/40/36/1054184036.db2.gz LENYZPACFBZYNJ-MRXNPFEDSA-N 0 0 319.351 4.016 20 10 DICDRN [O-]c1c(F)c(F)ccc1C[N@@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC001233077386 1054184211 /nfs/dbraw/zinc/18/42/11/1054184211.db2.gz MINFBAKRHCLZDO-NSHDSACASA-N 0 0 323.770 4.313 20 10 DICDRN Cc1cc(F)c(CNCc2ccc(N3CCCC3)cc2)c(F)c1 ZINC001334277131 1054186331 /nfs/dbraw/zinc/18/63/31/1054186331.db2.gz KUCVTGNUUFQGFI-UHFFFAOYSA-N 0 0 316.395 4.163 20 10 DICDRN [O-]c1ccc(F)c(F)c1C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC001233334727 1054240126 /nfs/dbraw/zinc/24/01/26/1054240126.db2.gz QXAQMZBPLYICJO-UHFFFAOYSA-N 0 0 321.342 4.189 20 10 DICDRN Cc1cc(Cl)cc(C)c1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001337415742 1054267442 /nfs/dbraw/zinc/26/74/42/1054267442.db2.gz ZYCRNPFPZMMJLE-XQRVVYSFSA-N 0 0 317.772 4.020 20 10 DICDRN CCCC(=O)c1cc(O)c(O)cc1O[C@@H]1CC2CCC1CC2 ZINC001233496288 1054282252 /nfs/dbraw/zinc/28/22/52/1054282252.db2.gz DHTRQBYHOXXKOJ-VCMHEYGDSA-N 0 0 304.386 4.038 20 10 DICDRN CCC(=O)Nc1ccc(C)c(NCc2cccc(CC)c2O)c1 ZINC000848889765 1054285710 /nfs/dbraw/zinc/28/57/10/1054285710.db2.gz MKKRGEAVMXJGHC-UHFFFAOYSA-N 0 0 312.413 4.224 20 10 DICDRN CCc1cccc(CNc2cc(OC)ccc2OC(F)F)c1O ZINC000848892162 1054286240 /nfs/dbraw/zinc/28/62/40/1054286240.db2.gz NDMKSYPDJYXJKZ-UHFFFAOYSA-N 0 0 323.339 4.177 20 10 DICDRN CCc1cccc(CNc2ccc(OC(C)C)c(OC)c2)c1O ZINC000848903518 1054292697 /nfs/dbraw/zinc/29/26/97/1054292697.db2.gz VDGHYEDNEQBZJR-UHFFFAOYSA-N 0 0 315.413 4.363 20 10 DICDRN CCc1cccc(CNc2ccc(OC)c(SC)c2)c1O ZINC000848916413 1054296235 /nfs/dbraw/zinc/29/62/35/1054296235.db2.gz HIXUOZOEXAJKFH-UHFFFAOYSA-N 0 0 303.427 4.297 20 10 DICDRN CCN1CCc2cc(O[C@H]3CCc4c3nccc4Cl)ccc21 ZINC001233607843 1054309146 /nfs/dbraw/zinc/30/91/46/1054309146.db2.gz OMFLOWLZQUCLIT-KRWDZBQOSA-N 0 0 314.816 4.184 20 10 DICDRN CCC[C@@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)C(C)C ZINC001356266004 1054312598 /nfs/dbraw/zinc/31/25/98/1054312598.db2.gz GPRTYDXONGLEJK-LJQANCHMSA-N 0 0 316.489 4.318 20 10 DICDRN CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000185052042 1054329167 /nfs/dbraw/zinc/32/91/67/1054329167.db2.gz USLABWIZPFDZKG-ZDUSSCGKSA-N 0 0 303.377 4.171 20 10 DICDRN CCCN(C(=O)/C=C\c1cn(C)cn1)c1cccc2ccccc21 ZINC001356602849 1054365324 /nfs/dbraw/zinc/36/53/24/1054365324.db2.gz UZISOXMRJNCQIW-QXMHVHEDSA-N 0 0 319.408 4.030 20 10 DICDRN Cc1cc(C(=O)NCC2CCC2)c(C)n1-c1ccc(Cl)cc1 ZINC001441033172 1054379720 /nfs/dbraw/zinc/37/97/20/1054379720.db2.gz XSCZXKUFGHEYSD-UHFFFAOYSA-N 0 0 316.832 4.277 20 10 DICDRN C[N@H+](Cc1cc2ccccc2[nH]1)Cc1cc(Cl)cc(F)c1[O-] ZINC001341777008 1054408763 /nfs/dbraw/zinc/40/87/63/1054408763.db2.gz VTFSKNUJNBNFCO-UHFFFAOYSA-N 0 0 318.779 4.298 20 10 DICDRN C[C@@H](C1CC1)n1cc(NCc2ccc(N3CCCC3)cc2)cn1 ZINC001343088070 1054437364 /nfs/dbraw/zinc/43/73/64/1054437364.db2.gz JQNYQCLAYDMWRZ-HNNXBMFYSA-N 0 0 310.445 4.066 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(O)c(C)c2)cc1 ZINC001545957695 1054447097 /nfs/dbraw/zinc/44/70/97/1054447097.db2.gz ASKMGEKGUQOIBQ-UHFFFAOYSA-N 0 0 320.392 4.360 20 10 DICDRN CCC(C)(CC)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC001443664053 1054455203 /nfs/dbraw/zinc/45/52/03/1054455203.db2.gz LCYQYGIHPYHJFF-UHFFFAOYSA-N 0 0 316.489 4.365 20 10 DICDRN CCc1cccnc1NCc1cc(Cl)c2cccnc2c1O ZINC001168527471 1054464941 /nfs/dbraw/zinc/46/49/41/1054464941.db2.gz JLGDUZHQJPHYLY-UHFFFAOYSA-N 0 0 313.788 4.163 20 10 DICDRN Nc1ccc(NC(=O)N2C[C@@H]3CCCC[C@]32c2ccccc2)cc1 ZINC001345114629 1054488683 /nfs/dbraw/zinc/48/86/83/1054488683.db2.gz FFDFBTADTRLEHA-JXFKEZNVSA-N 0 0 321.424 4.202 20 10 DICDRN Cc1cc(C(=O)N2CC[C@H](C)[C@@H]2C)c(C)n1-c1cccc(C)c1 ZINC001445432100 1054507502 /nfs/dbraw/zinc/50/75/02/1054507502.db2.gz RKRKTOPMVLFNNY-HOCLYGCPSA-N 0 0 310.441 4.273 20 10 DICDRN CC[C@H]1CCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC001445596815 1054510443 /nfs/dbraw/zinc/51/04/43/1054510443.db2.gz BNCMHIXMAYOZAX-HNNXBMFYSA-N 0 0 314.404 4.105 20 10 DICDRN C[C@@H]([NH2+]Cc1cc(-c2ccccc2)on1)c1ccc(F)cc1[O-] ZINC000185301976 1054513005 /nfs/dbraw/zinc/51/30/05/1054513005.db2.gz LJRHUPMEUDXBKW-GFCCVEGCSA-N 0 0 312.344 4.037 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001445654475 1054514602 /nfs/dbraw/zinc/51/46/02/1054514602.db2.gz LWJVVSJICTZMRD-BZUAXINKSA-N 0 0 303.446 4.203 20 10 DICDRN Cc1cc(C(=O)N2[C@@H](C)CC[C@@H]2C)c(C)n1-c1ccccc1C ZINC001445796177 1054516560 /nfs/dbraw/zinc/51/65/60/1054516560.db2.gz LRAODYMZYVATKP-GJZGRUSLSA-N 0 0 310.441 4.416 20 10 DICDRN CC[C@H](C)N(OC)C(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC001445857079 1054519245 /nfs/dbraw/zinc/51/92/45/1054519245.db2.gz MYQJKOOLMVZENN-AWEZNQCLSA-N 0 0 314.429 4.205 20 10 DICDRN CCCC[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)C(C)C ZINC001445904900 1054521406 /nfs/dbraw/zinc/52/14/06/1054521406.db2.gz UFBZYKPGFFIPEH-MRXNPFEDSA-N 0 0 317.473 4.350 20 10 DICDRN CC(=O)c1cc(O)c(O)cc1OC1CCC(C(C)(C)C)CC1 ZINC001234474231 1054529813 /nfs/dbraw/zinc/52/98/13/1054529813.db2.gz PHAKNFCUVQBPDM-UHFFFAOYSA-N 0 0 306.402 4.284 20 10 DICDRN C[C@@H]([NH2+]CCc1nc(C(C)(C)C)cs1)c1ccc(F)cc1[O-] ZINC000185373814 1054530190 /nfs/dbraw/zinc/53/01/90/1054530190.db2.gz JTJMAFJAUKUCJT-LLVKDONJSA-N 0 0 322.449 4.179 20 10 DICDRN CCC(CC)[C@H](C)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC001357724053 1054533675 /nfs/dbraw/zinc/53/36/75/1054533675.db2.gz GAENVQUHLKUZLI-HNNXBMFYSA-N 0 0 304.478 4.221 20 10 DICDRN CC[C@H]1CC[C@H](C(=O)NCc2ccc(N(CC)CC)cc2)CC1 ZINC001357724332 1054533792 /nfs/dbraw/zinc/53/37/92/1054533792.db2.gz QRONOQCYPQKHCW-SAABIXHNSA-N 0 0 316.489 4.365 20 10 DICDRN COc1ccc2ccc(O)c(CN3CCCCC(F)(F)C3)c2c1 ZINC001234518837 1054540593 /nfs/dbraw/zinc/54/05/93/1054540593.db2.gz OKXXEUTVSVEWFG-UHFFFAOYSA-N 0 0 321.367 4.175 20 10 DICDRN Cc1oc2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3)cc2c1C ZINC000185400415 1054542005 /nfs/dbraw/zinc/54/20/05/1054542005.db2.gz AQIICXSXYXACFC-XBXARRHUSA-N 0 0 323.348 4.113 20 10 DICDRN C[C@H]([NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C)c1ccc(F)cc1[O-] ZINC000185488792 1054553225 /nfs/dbraw/zinc/55/32/25/1054553225.db2.gz QZZZHHLJBIEBKQ-AHIWAGSCSA-N 0 0 309.425 4.023 20 10 DICDRN C[C@@H]([NH2+]Cc1coc(-c2ccccc2)n1)c1ccc(F)cc1[O-] ZINC000185571296 1054583415 /nfs/dbraw/zinc/58/34/15/1054583415.db2.gz LTVMTJMASUUKGQ-GFCCVEGCSA-N 0 0 312.344 4.037 20 10 DICDRN Cc1coc2ccc(NC(=O)c3ccc(N=NC(N)=O)cc3)cc12 ZINC001448016611 1054584493 /nfs/dbraw/zinc/58/44/93/1054584493.db2.gz JEJMWMUETPCAMX-UHFFFAOYSA-N 0 0 322.324 4.156 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(C)ccc1C ZINC001448437776 1054596225 /nfs/dbraw/zinc/59/62/25/1054596225.db2.gz NFELTNPYAIGRDL-UHFFFAOYSA-N 0 0 311.425 4.452 20 10 DICDRN COc1ccc(N(Cc2cc(C)on2)Cc2cccs2)cc1 ZINC000072987693 1054605564 /nfs/dbraw/zinc/60/55/64/1054605564.db2.gz LXARRWYVFCISMB-UHFFFAOYSA-N 0 0 314.410 4.260 20 10 DICDRN Cc1cc(C(=O)NCCC2(C)CC2)c(C)n1-c1ccccc1C ZINC001448975826 1054610991 /nfs/dbraw/zinc/61/09/91/1054610991.db2.gz ZONAXUIVZHLBGG-UHFFFAOYSA-N 0 0 310.441 4.323 20 10 DICDRN CCC[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C(C)C ZINC001358204934 1054620972 /nfs/dbraw/zinc/62/09/72/1054620972.db2.gz BHHLKSDNSDSQNU-LJQANCHMSA-N 0 0 316.489 4.316 20 10 DICDRN CCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185706219 1054627483 /nfs/dbraw/zinc/62/74/83/1054627483.db2.gz CGHQZARLZOVITB-ZDUSSCGKSA-N 0 0 303.377 4.089 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CCC[C@H]1C ZINC001358370937 1054668814 /nfs/dbraw/zinc/66/88/14/1054668814.db2.gz DYCGXCYABXVTBG-AEFFLSMTSA-N 0 0 316.489 4.316 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H](C)C(F)(F)F ZINC001451915373 1054689816 /nfs/dbraw/zinc/68/98/16/1054689816.db2.gz SEHOYLBLGCJLIO-CYBMUJFWSA-N 0 0 324.346 4.083 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC001451993337 1054691801 /nfs/dbraw/zinc/69/18/01/1054691801.db2.gz PHXGBVNCBLMNQX-PKOBYXMFSA-N 0 0 322.452 4.321 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC12CCCC2 ZINC001452899091 1054719552 /nfs/dbraw/zinc/71/95/52/1054719552.db2.gz BERKHWJXDPKNRU-UHFFFAOYSA-N 0 0 314.454 4.314 20 10 DICDRN CC[C@@]1(Cc2ccccc2)CCCN1C(=O)C1=CC(=O)CS1 ZINC001453089941 1054728650 /nfs/dbraw/zinc/72/86/50/1054728650.db2.gz BQTXWQBZQYUTDQ-SFHVURJKSA-N 0 0 315.438 4.081 20 10 DICDRN O=C(NCc1ccc(-c2ccccc2)s1)C1=CC(=O)CS1 ZINC001453972480 1054754044 /nfs/dbraw/zinc/75/40/44/1054754044.db2.gz NIAKKLIWISACJZ-UHFFFAOYSA-N 0 0 315.419 4.112 20 10 DICDRN CC(C)(C)c1ccc(CN2CC(F)(F)C[C@@]2(C)CF)c(O)c1 ZINC001235674554 1054769841 /nfs/dbraw/zinc/76/98/41/1054769841.db2.gz GTNPRDYPXIAGFW-INIZCTEOSA-N 0 0 315.379 4.259 20 10 DICDRN CC(C)(C)c1ccc(CN2CC[C@@H](CF)C(F)(F)C2)c(O)c1 ZINC001235674989 1054771368 /nfs/dbraw/zinc/77/13/68/1054771368.db2.gz LAZPDXZBMQOOPH-AWEZNQCLSA-N 0 0 315.379 4.116 20 10 DICDRN CC(C)(C)c1ccc(CN2CC[C@H](CF)C(F)(F)C2)c(O)c1 ZINC001235674990 1054772087 /nfs/dbraw/zinc/77/20/87/1054772087.db2.gz LAZPDXZBMQOOPH-CQSZACIVSA-N 0 0 315.379 4.116 20 10 DICDRN Cc1cc(CNC(=O)/C=C/C(C)(C)C)c(C)n1-c1ccccc1 ZINC001454625595 1054776558 /nfs/dbraw/zinc/77/65/58/1054776558.db2.gz NLEZOOFECSYMDN-VAWYXSNFSA-N 0 0 310.441 4.313 20 10 DICDRN C[C@@H](NC(=O)[C@H]1CCC[C@H]1c1ccccc1)c1ccccc1O ZINC001454806799 1054784551 /nfs/dbraw/zinc/78/45/51/1054784551.db2.gz OAYHKMUAZXSXLQ-JLSDUUJJSA-N 0 0 309.409 4.153 20 10 DICDRN C[C@H](NC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1)c1ccccc1O ZINC001454817652 1054785755 /nfs/dbraw/zinc/78/57/55/1054785755.db2.gz KNRVZIOQEPYGFC-KVSKMBFKSA-N 0 0 323.436 4.228 20 10 DICDRN CSc1ccc(/C=C/C(=O)N[C@H](C)c2ccccc2O)s1 ZINC001454803792 1054785930 /nfs/dbraw/zinc/78/59/30/1054785930.db2.gz GMXZUJUBFGOXEY-MXMFLMJRSA-N 0 0 319.451 4.066 20 10 DICDRN CCS[C@H]1CC[C@H]([N@H+](C)Cc2c([O-])ccc(Cl)c2F)C1 ZINC001474360429 1054805198 /nfs/dbraw/zinc/80/51/98/1054805198.db2.gz PDNGUBNBKULWNJ-QWRGUYRKSA-N 0 0 317.857 4.291 20 10 DICDRN Nc1ccc(CN2CCSC[C@H]2c2cccc(Cl)c2)cc1 ZINC001235946712 1054864597 /nfs/dbraw/zinc/86/45/97/1054864597.db2.gz QFTLZULFWZBJBH-KRWDZBQOSA-N 0 0 318.873 4.212 20 10 DICDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@H]1c1c[nH]c2ccccc21 ZINC001236189584 1054987884 /nfs/dbraw/zinc/98/78/84/1054987884.db2.gz AXWMTNFIIZYOCX-SFHVURJKSA-N 0 0 310.372 4.350 20 10 DICDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@H]1c1c[nH]c2ccccc21 ZINC001236189580 1054988636 /nfs/dbraw/zinc/98/86/36/1054988636.db2.gz AXWMTNFIIZYOCX-GOSISDBHSA-N 0 0 310.372 4.350 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCC(F)(F)C2)cc1 ZINC000764107723 1055110991 /nfs/dbraw/zinc/11/09/91/1055110991.db2.gz DMVLFVATWIGNQR-OAHLLOKOSA-N 0 0 318.367 4.012 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC2(CC3CC3)CC2)cc1 ZINC001536677531 1055153408 /nfs/dbraw/zinc/15/34/08/1055153408.db2.gz ZIHACRXFDIVCKQ-UHFFFAOYSA-N 0 0 322.452 4.404 20 10 DICDRN Cn1ccc2ncc(-c3cncc(OCc4ccccc4)c3)cc21 ZINC001236570042 1055191447 /nfs/dbraw/zinc/19/14/47/1055191447.db2.gz ZOLFNRPPGZTBCT-UHFFFAOYSA-N 0 0 315.376 4.214 20 10 DICDRN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H](C)C[C@@H]2C)c1 ZINC001236666609 1055220550 /nfs/dbraw/zinc/22/05/50/1055220550.db2.gz RYKQTEUTPUAJIX-PWSUYJOCSA-N 0 0 312.251 4.084 20 10 DICDRN COCC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236797261 1055263358 /nfs/dbraw/zinc/26/33/58/1055263358.db2.gz XAJHQRBNPNAFGP-GFCCVEGCSA-N 0 0 318.244 4.090 20 10 DICDRN Oc1cc(Cl)c(Cl)cc1CN1Cc2ccc(F)cc2C1 ZINC001236797071 1055263736 /nfs/dbraw/zinc/26/37/36/1055263736.db2.gz ULWHBLDYJCAWRN-UHFFFAOYSA-N 0 0 312.171 4.354 20 10 DICDRN [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC001236795569 1055264241 /nfs/dbraw/zinc/26/42/41/1055264241.db2.gz GTWDQIDSWOOTNM-LLVKDONJSA-N 0 0 323.223 4.084 20 10 DICDRN COc1cc(O)c(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c(Cl)c1 ZINC001236804026 1055268101 /nfs/dbraw/zinc/26/81/01/1055268101.db2.gz RYPUNQRWQJYCHA-MLGOLLRUSA-N 0 0 309.837 4.209 20 10 DICDRN COc1cc(O)c(CN2Cc3ccc(Cl)cc3C2)c(Cl)c1 ZINC001236807395 1055268165 /nfs/dbraw/zinc/26/81/65/1055268165.db2.gz FTMJVJUZTVZZIR-UHFFFAOYSA-N 0 0 324.207 4.223 20 10 DICDRN COc1ccc(C[N@@H+]2CCc3ccccc3[C@H]2C)c([O-])c1Cl ZINC001236800726 1055268982 /nfs/dbraw/zinc/26/89/82/1055268982.db2.gz 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CCC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 ZINC001587935196 1055401118 /nfs/dbraw/zinc/40/11/18/1055401118.db2.gz VZTSKZLEHZCSLN-MRXNPFEDSA-N 0 0 324.384 4.120 20 10 DICDRN CCC(C)(C)c1ccccc1C(=O)N1Cc2cccc(O)c2C1 ZINC001587933275 1055401848 /nfs/dbraw/zinc/40/18/48/1055401848.db2.gz PVIAUHCGAHZWLT-UHFFFAOYSA-N 0 0 309.409 4.236 20 10 DICDRN C[C@@H](NC(=O)C12CCC(CC1)C2(C)C)c1ccc(N(C)C)cc1 ZINC001537679125 1055405101 /nfs/dbraw/zinc/40/51/01/1055405101.db2.gz FZRSFOZBAPUMSA-PCVOSPCESA-N 0 0 314.473 4.146 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC[C@@H]2C[C@H]2C2CC2)cc1 ZINC001537703632 1055413126 /nfs/dbraw/zinc/41/31/26/1055413126.db2.gz SHTWUYIIYVRPBO-QUCCMNQESA-N 0 0 322.452 4.260 20 10 DICDRN Cc1oc(-c2ccccc2)cc1C(=O)N(C)Cc1ccccc1O ZINC001588156045 1055436825 /nfs/dbraw/zinc/43/68/25/1055436825.db2.gz KEDMYGPVQOFCHG-UHFFFAOYSA-N 0 0 321.376 4.233 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)c1ccccc1C ZINC001588183863 1055445181 /nfs/dbraw/zinc/44/51/81/1055445181.db2.gz 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CCc1c(NCc2cc(F)cc(F)c2O)cnn1CCC(C)C ZINC001620901174 1055528184 /nfs/dbraw/zinc/52/81/84/1055528184.db2.gz PPCQFLAVGQSHLO-UHFFFAOYSA-N 0 0 323.387 4.088 20 10 DICDRN Cc1ncsc1/C=C/C(=O)N1CCC[C@H](C)c2ccccc21 ZINC001538094151 1055529283 /nfs/dbraw/zinc/52/92/83/1055529283.db2.gz WDRSFIZFOHNCBI-LXKVQUBZSA-N 0 0 312.438 4.395 20 10 DICDRN CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(F)cc(Cl)c1[O-] ZINC001237806971 1055534599 /nfs/dbraw/zinc/53/45/99/1055534599.db2.gz XQZVAJDWVJUHAI-UHFFFAOYSA-N 0 0 323.795 4.215 20 10 DICDRN Cc1cccc(CC[N@@H+](C)Cc2cc(F)cc(Cl)c2[O-])c1 ZINC001237798271 1055534845 /nfs/dbraw/zinc/53/48/45/1055534845.db2.gz CTYNDQCDQKNDDW-UHFFFAOYSA-N 0 0 307.796 4.168 20 10 DICDRN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001237798509 1055535047 /nfs/dbraw/zinc/53/50/47/1055535047.db2.gz HFOISMHYFZWCMM-LBPRGKRZSA-N 0 0 323.770 4.313 20 10 DICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC001620918399 1055541229 /nfs/dbraw/zinc/54/12/29/1055541229.db2.gz 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ZINC001595596595 1055614198 /nfs/dbraw/zinc/61/41/98/1055614198.db2.gz ZSLZQHGNATXKCL-CQSZACIVSA-N 0 0 317.473 4.350 20 10 DICDRN C[C@H](NC(=O)NCC1(C)CCC(C)(C)CC1)c1ccccc1O ZINC001564937892 1055634858 /nfs/dbraw/zinc/63/48/58/1055634858.db2.gz IBANPAFCTLSDTA-AWEZNQCLSA-N 0 0 318.461 4.359 20 10 DICDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)c1 ZINC001595806270 1055635382 /nfs/dbraw/zinc/63/53/82/1055635382.db2.gz FNEKZKUPDJQWJR-QUJCMNEKSA-N 0 0 319.445 4.040 20 10 DICDRN Cc1ccc(N(C(=O)/C=C/c2ccc(O)c(O)c2)C2CCC2)cc1 ZINC001596065725 1055664054 /nfs/dbraw/zinc/66/40/54/1055664054.db2.gz DOSGPBYSHCSYNS-XYOKQWHBSA-N 0 0 323.392 4.005 20 10 DICDRN CC1(C)CCC[C@H]1CCNC(=O)NCc1cc(Cl)ccc1O ZINC001565114714 1055665846 /nfs/dbraw/zinc/66/58/46/1055665846.db2.gz OJLUNQIBTOWUSI-ZDUSSCGKSA-N 0 0 324.852 4.061 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCC2(C)C)cc1F ZINC001565687937 1055719689 /nfs/dbraw/zinc/71/96/89/1055719689.db2.gz DCKPDFWBJFBDES-HNNXBMFYSA-N 0 0 320.452 4.114 20 10 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C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@H]1CC2CCC1CC2 ZINC001462393618 1061146261 /nfs/dbraw/zinc/14/62/61/1061146261.db2.gz DFTKFTSWRBKTEU-DLOFLVKXSA-N 0 0 311.828 4.489 20 10 DICDRN C[C@@H]1C[N@H+](Cc2cccc(F)c2[O-])CCc2ccc(Cl)cc21 ZINC001462411542 1061156587 /nfs/dbraw/zinc/15/65/87/1061156587.db2.gz PJJPUAHOGCNJDK-GFCCVEGCSA-N 0 0 319.807 4.347 20 10 DICDRN COc1ccc(N(CCCOC(F)(F)F)CCC(C)C)cc1 ZINC001473445794 1061163027 /nfs/dbraw/zinc/16/30/27/1061163027.db2.gz XMMULGBMKVPMLA-UHFFFAOYSA-N 0 0 319.367 4.474 20 10 DICDRN CCC[N@H+](Cc1ccccc1F)Cc1cc(F)cc(F)c1[O-] ZINC001462447479 1061179751 /nfs/dbraw/zinc/17/97/51/1061179751.db2.gz UCHVETRZBUHLHR-UHFFFAOYSA-N 0 0 309.331 4.222 20 10 DICDRN Cc1cccc2c1CCC[C@@H]2[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001462458110 1061185357 /nfs/dbraw/zinc/18/53/57/1061185357.db2.gz IETAJMHMHMEZNL-KRWDZBQOSA-N 0 0 303.352 4.146 20 10 DICDRN CON(Cc1ccc(N(C)C)c(C)c1)C[C@@H]1CCC[C@H](C)C1 ZINC001473524003 1061221674 /nfs/dbraw/zinc/22/16/74/1061221674.db2.gz 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ZINC001457058930 1061405031 /nfs/dbraw/zinc/40/50/31/1061405031.db2.gz KWKYKMDKOONSGC-GASCZTMLSA-N 0 0 314.454 4.028 20 10 DICDRN Cc1ccc(/C=C/C(=O)N(CC2CCC2)c2ccccc2)cn1 ZINC001457266673 1061432159 /nfs/dbraw/zinc/43/21/59/1061432159.db2.gz IRYCVBHQSWBOEU-OUKQBFOZSA-N 0 0 306.409 4.237 20 10 DICDRN CN(C)c1ccc(/C=C\CNc2cccc3cnccc32)cc1 ZINC001473945069 1061488846 /nfs/dbraw/zinc/48/88/46/1061488846.db2.gz WSTTUIUAZSTPDF-PLNGDYQASA-N 0 0 303.409 4.426 20 10 DICDRN CC[C@H](C)Oc1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC001473956310 1061496562 /nfs/dbraw/zinc/49/65/62/1061496562.db2.gz KRYUGQGAEKFRPU-NSHDSACASA-N 0 0 307.340 4.460 20 10 DICDRN Cc1ccccc1C(C)(C)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001473971759 1061514378 /nfs/dbraw/zinc/51/43/78/1061514378.db2.gz DXACQECZOCMNTJ-UHFFFAOYSA-N 0 0 305.368 4.046 20 10 DICDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCCc1ccc(Cl)cc1 ZINC001473990565 1061533956 /nfs/dbraw/zinc/53/39/56/1061533956.db2.gz RDQVSMNRVOIQKP-UHFFFAOYSA-N 0 0 311.759 4.046 20 10 DICDRN Cc1cc(C)cc(CC[NH2+]Cc2c([O-])ccc(Cl)c2F)c1 ZINC001474011882 1061552090 /nfs/dbraw/zinc/55/20/90/1061552090.db2.gz PSECXEDMBMVRCC-UHFFFAOYSA-N 0 0 307.796 4.134 20 10 DICDRN Cc1cccc(O[C@H](C)C[NH2+]Cc2c([O-])ccc(Cl)c2F)c1 ZINC001474011363 1061553039 /nfs/dbraw/zinc/55/30/39/1061553039.db2.gz STTXJWTZSBEVKS-GFCCVEGCSA-N 0 0 323.795 4.050 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC1(c2cccc(F)c2)CC1 ZINC001474014976 1061557846 /nfs/dbraw/zinc/55/78/46/1061557846.db2.gz KGQVDKDLCRMSRG-UHFFFAOYSA-N 0 0 323.770 4.145 20 10 DICDRN Cc1c2ccccc2n(C)c1CNc1ccn(CCC(C)C)n1 ZINC001474045536 1061592816 /nfs/dbraw/zinc/59/28/16/1061592816.db2.gz CFTJDDBLSSACNP-UHFFFAOYSA-N 0 0 310.445 4.341 20 10 DICDRN CCc1cccc(C(=O)Nc2cccc(N3CCCCC3)c2)c1O ZINC001464467310 1061597807 /nfs/dbraw/zinc/59/78/07/1061597807.db2.gz UFAZAMQTRXOQNP-UHFFFAOYSA-N 0 0 324.424 4.197 20 10 DICDRN CC(C)(C)Oc1ccccc1NCc1cc(F)cc(F)c1O ZINC001474062735 1061608789 /nfs/dbraw/zinc/60/87/89/1061608789.db2.gz RCCYXBRBVDPSBY-UHFFFAOYSA-N 0 0 307.340 4.460 20 10 DICDRN CS[C@H]1CC[C@H]([N@H+](C)Cc2c(O)ccc3ccccc32)C1 ZINC001252248711 1061615904 /nfs/dbraw/zinc/61/59/04/1061615904.db2.gz XRCAIIULFWYCKX-GJZGRUSLSA-N 0 0 301.455 4.261 20 10 DICDRN Cc1cc([N+](=O)[O-])cnc1Sc1ncc(C(C)(C)C)s1 ZINC001458245237 1061657627 /nfs/dbraw/zinc/65/76/27/1061657627.db2.gz DZZNMRXFITUBAP-UHFFFAOYSA-N 0 0 309.416 4.203 20 10 DICDRN CCCN(Cc1ccccc1O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001458245823 1061658303 /nfs/dbraw/zinc/65/83/03/1061658303.db2.gz WLUIYIVBMFRMIK-UHFFFAOYSA-N 0 0 318.348 4.165 20 10 DICDRN Cc1cc(C(=O)N[C@H]2CCC[C@H]2C)c(C)n1-c1ccccc1C ZINC001464980966 1061659087 /nfs/dbraw/zinc/65/90/87/1061659087.db2.gz CBTFGXWJWOMNJI-ACJLOTCBSA-N 0 0 310.441 4.321 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)[C@@]2(C)CCC[C@@H]2C)cc1F ZINC001465003607 1061662632 /nfs/dbraw/zinc/66/26/32/1061662632.db2.gz CDZSBQHHULWANW-LIRRHRJNSA-N 0 0 320.452 4.114 20 10 DICDRN C/C(=C/C(=O)NCc1ccc(N(C)C)cc1C)c1ccccc1C ZINC001465028537 1061664621 /nfs/dbraw/zinc/66/46/21/1061664621.db2.gz GQYZKIDMOICCRE-LGMDPLHJSA-N 0 0 322.452 4.089 20 10 DICDRN C[C@H](NC(=O)Nc1cccc2c1CCCC2)c1ccccc1O ZINC001465130892 1061687748 /nfs/dbraw/zinc/68/77/48/1061687748.db2.gz ABJBAPKRZQEBQK-ZDUSSCGKSA-N 0 0 310.397 4.154 20 10 DICDRN CCCCN(Cc1ccccc1O)c1nc(C(C)(C)C)ns1 ZINC001458336484 1061704720 /nfs/dbraw/zinc/70/47/20/1061704720.db2.gz FGDGFUBHXMYTJU-UHFFFAOYSA-N 0 0 319.474 4.348 20 10 DICDRN Cc1cc(O)c(C[NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)c(Cl)c1 ZINC001474200773 1061754966 /nfs/dbraw/zinc/75/49/66/1061754966.db2.gz RTHLTXAWGBGWFA-KBPBESRZSA-N 0 0 306.208 4.148 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)c1sc(C)cc1C ZINC001465846669 1061822431 /nfs/dbraw/zinc/82/24/31/1061822431.db2.gz YAWITTMIYKRJMU-UHFFFAOYSA-N 0 0 303.427 4.123 20 10 DICDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@]23C[C@H]2CCCC3)c1 ZINC001474268657 1061836170 /nfs/dbraw/zinc/83/61/70/1061836170.db2.gz PMUMTSAQGKIYID-CJNGLKHVSA-N 0 0 324.262 4.133 20 10 DICDRN COc1cccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)c1 ZINC001253259817 1061860912 /nfs/dbraw/zinc/86/09/12/1061860912.db2.gz IECLKPCSZKLQAP-UHFFFAOYSA-N 0 0 317.348 4.203 20 10 DICDRN CCS(=O)(=O)Nc1cc(/N=N/c2ccc(C)cc2)ccc1C ZINC001253361620 1061878798 /nfs/dbraw/zinc/87/87/98/1061878798.db2.gz VTZJWOHRYJILPJ-ISLYRVAYSA-N 0 0 317.414 4.480 20 10 DICDRN [O-]c1c(F)c(F)ccc1C[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC001474321491 1061902652 /nfs/dbraw/zinc/90/26/52/1061902652.db2.gz JRSVETLMJQDKEW-AWEZNQCLSA-N 0 0 307.340 4.381 20 10 DICDRN Cc1cc(Cl)c(NC(=O)NCc2c(O)cccc2F)cc1C ZINC001466615784 1061973075 /nfs/dbraw/zinc/97/30/75/1061973075.db2.gz XVMUJMGRCGNQAA-UHFFFAOYSA-N 0 0 322.767 4.123 20 10 DICDRN CC(C)[C@H](O)CNc1ccc(/C=C/c2ccc(N(C)C)cc2)cc1 ZINC001253773582 1061981068 /nfs/dbraw/zinc/98/10/68/1061981068.db2.gz HPOFWZLFGZKIMO-YAQIIAKESA-N 0 0 324.468 4.352 20 10 DICDRN C[C@@]1(c2ccccc2)CCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001474358809 1061981697 /nfs/dbraw/zinc/98/16/97/1061981697.db2.gz VTUMACMDSVJTIR-LJQANCHMSA-N 0 0 317.379 4.224 20 10 DICDRN CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001474360473 1061983046 /nfs/dbraw/zinc/98/30/46/1061983046.db2.gz QDZGVBULGRWDTJ-VXGBXAGGSA-N 0 0 317.857 4.291 20 10 DICDRN C[C@@H](c1cc(F)ccc1F)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC001474365264 1061995501 /nfs/dbraw/zinc/99/55/01/1061995501.db2.gz ZYMJCDFCSQETNO-VIFPVBQESA-N 0 0 313.294 4.142 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC3CCC2CC3)cc1 ZINC001254092801 1062022703 /nfs/dbraw/zinc/02/27/03/1062022703.db2.gz BZVCIUDOQHJXAN-UHFFFAOYSA-N 0 0 308.425 4.109 20 10 DICDRN O=C(CCSc1ncc(Cl)s1)Nc1cccc(F)c1 ZINC001459190154 1062037616 /nfs/dbraw/zinc/03/76/16/1062037616.db2.gz BNHXMAJSQOCHOV-UHFFFAOYSA-N 0 0 316.810 4.057 20 10 DICDRN Clc1cnc(SCc2nnc(-c3ccccc3)o2)s1 ZINC001459195423 1062039583 /nfs/dbraw/zinc/03/95/83/1062039583.db2.gz IJEVCAKSRLPXNL-UHFFFAOYSA-N 0 0 309.803 4.139 20 10 DICDRN COc1ccccc1C1([NH2+]Cc2cccc(Cl)c2[O-])CCC1 ZINC001254196665 1062043592 /nfs/dbraw/zinc/04/35/92/1062043592.db2.gz KBSQPSBHNRNDRR-UHFFFAOYSA-N 0 0 317.816 4.223 20 10 DICDRN CC(C)(C)[N@H+](Cc1ccccc1)Cc1cc(F)cc(F)c1[O-] ZINC001474400030 1062052184 /nfs/dbraw/zinc/05/21/84/1062052184.db2.gz ZEPPUXZKHRJWRK-UHFFFAOYSA-N 0 0 305.368 4.471 20 10 DICDRN Oc1c(F)cccc1CN1CCCc2cc(OC(F)F)ccc21 ZINC001474421448 1062093357 /nfs/dbraw/zinc/09/33/57/1062093357.db2.gz KNQZWXAPADGCPZ-UHFFFAOYSA-N 0 0 323.314 4.086 20 10 DICDRN COc1cc(C)cc(CN(C)c2ccc(OC(C)C)cc2)c1O ZINC001474443332 1062121836 /nfs/dbraw/zinc/12/18/36/1062121836.db2.gz YRGYTASNRNXDBU-UHFFFAOYSA-N 0 0 315.413 4.133 20 10 DICDRN COc1ccc(N(C)Cc2ccc(C)cc2Cl)cc1OC ZINC001459395488 1062126856 /nfs/dbraw/zinc/12/68/56/1062126856.db2.gz QNAJJBARQDHQTF-UHFFFAOYSA-N 0 0 305.805 4.302 20 10 DICDRN C[C@@H](NC(=O)NCCCC1CCCC1)c1ccc(N(C)C)cc1 ZINC001467649619 1062172441 /nfs/dbraw/zinc/17/24/41/1062172441.db2.gz WVMCWBOPLPHXPT-OAHLLOKOSA-N 0 0 317.477 4.083 20 10 DICDRN CC(C)c1ccc(O)c(CN[C@@H](C)c2nc(C(C)(C)C)no2)c1 ZINC001474495060 1062177143 /nfs/dbraw/zinc/17/71/43/1062177143.db2.gz AJRKAQJRGMVUGI-LBPRGKRZSA-N 0 0 317.433 4.047 20 10 DICDRN CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cc(C)cc(Br)c1[O-] ZINC001474505256 1062186669 /nfs/dbraw/zinc/18/66/69/1062186669.db2.gz RFRHBHXSFFABLN-AAEUAGOBSA-N 0 0 312.251 4.226 20 10 DICDRN CCC[C@@]1(C)CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC001459583520 1062223096 /nfs/dbraw/zinc/22/30/96/1062223096.db2.gz RVIIHSSQSOAWPU-SFHVURJKSA-N 0 0 307.409 4.136 20 10 DICDRN Cc1cc(CN2C[C@@H](C)OC[C@H]2c2ccccc2)ccc1N(C)C ZINC001459580986 1062226974 /nfs/dbraw/zinc/22/69/74/1062226974.db2.gz SAWRFWLNCZGIFO-UTKZUKDTSA-N 0 0 324.468 4.023 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)N2[C@@H](C)CCC2(C)C)cc1 ZINC001468121748 1062265830 /nfs/dbraw/zinc/26/58/30/1062265830.db2.gz UUTUQUQNCHWLSD-HNNXBMFYSA-N 0 0 317.477 4.005 20 10 DICDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1ccc(F)nc1 ZINC001474589885 1062302075 /nfs/dbraw/zinc/30/20/75/1062302075.db2.gz DXDHAGJKMXQFFF-MRXNPFEDSA-N 0 0 314.404 4.064 20 10 DICDRN [O-]c1cc(F)c(F)cc1C[NH2+]Cc1c(Cl)oc2ccccc21 ZINC001474627317 1062351467 /nfs/dbraw/zinc/35/14/67/1062351467.db2.gz HZPGNIQAKLYHMR-UHFFFAOYSA-N 0 0 323.726 4.360 20 10 DICDRN Cc1cc(C)cc([C@@H](C)NC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001468671903 1062375510 /nfs/dbraw/zinc/37/55/10/1062375510.db2.gz UTWMDTWZRRBOLA-CABCVRRESA-N 0 0 312.413 4.130 20 10 DICDRN COc1ccc2c(c1)CCCCN2Cc1c(C)cc(C)nc1C ZINC001459778504 1062393656 /nfs/dbraw/zinc/39/36/56/1062393656.db2.gz IOJJKBGCSNCIDZ-UHFFFAOYSA-N 0 0 310.441 4.358 20 10 DICDRN COc1ccc(N(C[C@@H](OC)c2ccccc2)C(C)C)cc1F ZINC001459790391 1062401925 /nfs/dbraw/zinc/40/19/25/1062401925.db2.gz DKOGMMUPQHMCRL-LJQANCHMSA-N 0 0 317.404 4.437 20 10 DICDRN Cc1cc(O)c(CN[C@@H](CF)c2ccc(F)cc2)cc1Cl ZINC001474674314 1062404462 /nfs/dbraw/zinc/40/44/62/1062404462.db2.gz DJGQKBQOYPCXCA-HNNXBMFYSA-N 0 0 311.759 4.294 20 10 DICDRN Cc1c(Cl)ccc(C[NH2+]Cc2c([O-])cccc2F)c1Cl ZINC001474716522 1062443092 /nfs/dbraw/zinc/44/30/92/1062443092.db2.gz OWIHFKVADQHIKB-UHFFFAOYSA-N 0 0 314.187 4.436 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)O[C@H](C)CC(C)C)cc1 ZINC001474851491 1062476257 /nfs/dbraw/zinc/47/62/57/1062476257.db2.gz CUSQCHSYVXSDKU-OAHLLOKOSA-N 0 0 306.450 4.194 20 10 DICDRN CC(C)Oc1ccc(N(C)C[C@@H]2CCC3(CCC3)CO2)cc1 ZINC001459949179 1062517099 /nfs/dbraw/zinc/51/70/99/1062517099.db2.gz FORBUFVHCMBMTJ-SFHVURJKSA-N 0 0 303.446 4.259 20 10 DICDRN O=C(NCc1cc(Cl)ccc1O)Nc1ccccc1Cl ZINC001475938042 1062557689 /nfs/dbraw/zinc/55/76/89/1062557689.db2.gz QXRVBKDSQFNOCY-UHFFFAOYSA-N 0 0 311.168 4.021 20 10 DICDRN CC(=O)c1cc(Cl)cc(C[N@H+](CC2CC2)CC2CCC2)c1[O-] ZINC001460019547 1062576202 /nfs/dbraw/zinc/57/62/02/1062576202.db2.gz RWEOGZCBOBUESX-UHFFFAOYSA-N 0 0 321.848 4.260 20 10 DICDRN Cc1cc(C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)c(C)n1-c1ccccc1C ZINC001469798467 1062629607 /nfs/dbraw/zinc/62/96/07/1062629607.db2.gz BNXOCGMXDWIAPV-KZNAEPCWSA-N 0 0 322.452 4.321 20 10 DICDRN COc1ccc(N(CCc2ccc3c(c2)CCO3)CC2CC2)cc1 ZINC001460125670 1062648787 /nfs/dbraw/zinc/64/87/87/1062648787.db2.gz FLADMFLGWJSDOD-UHFFFAOYSA-N 0 0 323.436 4.089 20 10 DICDRN CC(C)[C@H]1CCC[C@H](NC(=O)N[C@H](C)c2ccccc2O)CC1 ZINC001469882166 1062649296 /nfs/dbraw/zinc/64/92/96/1062649296.db2.gz FXVYIPIPFPSHMJ-PMPSAXMXSA-N 0 0 318.461 4.357 20 10 DICDRN O=C(NCc1cc(Cl)ccc1O)c1ccc(C2CCC2)cc1 ZINC001469877932 1062649360 /nfs/dbraw/zinc/64/93/60/1062649360.db2.gz YVTULVNILKLANP-UHFFFAOYSA-N 0 0 315.800 4.243 20 10 DICDRN COc1ccc(N(Cc2cncc(Cl)c2)CC2CC2)cc1 ZINC001460134035 1062655492 /nfs/dbraw/zinc/65/54/92/1062655492.db2.gz XTYWLPORODYDCO-UHFFFAOYSA-N 0 0 302.805 4.160 20 10 DICDRN CN(C[C@@H]1CC[C@H](C2CC2)O1)c1ccc(-c2nccs2)cc1 ZINC001460209463 1062699158 /nfs/dbraw/zinc/69/91/58/1062699158.db2.gz UIGUZAUKKLOESL-DLBZAZTESA-N 0 0 314.454 4.204 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCC[C@H]1CC ZINC001470208688 1062722562 /nfs/dbraw/zinc/72/25/62/1062722562.db2.gz CBHYTKIOXZHFOL-HZPDHXFCSA-N 0 0 318.461 4.140 20 10 DICDRN Cc1ccc(O)c(CNC(=O)Nc2cc(C(F)F)ccc2F)c1 ZINC001476840003 1062731544 /nfs/dbraw/zinc/73/15/44/1062731544.db2.gz HZGPYHRGBUMXJF-UHFFFAOYSA-N 0 0 324.302 4.099 20 10 DICDRN Cc1ccc(O)c(CNC(=O)C2(c3ccccc3C)CCCC2)c1 ZINC001470255507 1062731453 /nfs/dbraw/zinc/73/14/53/1062731453.db2.gz XCGDFTVJGMXATI-UHFFFAOYSA-N 0 0 323.436 4.137 20 10 DICDRN CCC[C@@H](NC(=O)NCc1cc(Cl)ccc1O)C1CCCC1 ZINC001470481054 1062793108 /nfs/dbraw/zinc/79/31/08/1062793108.db2.gz ZVSOEUWZPVUFAD-OAHLLOKOSA-N 0 0 324.852 4.204 20 10 DICDRN CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@@H]2CC2CCC2)c1[O-] ZINC001460488413 1062875647 /nfs/dbraw/zinc/87/56/47/1062875647.db2.gz OMGRLBGHEGNJCH-QGZVFWFLSA-N 0 0 319.420 4.279 20 10 DICDRN CC[C@H](C)[C@@H](C(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC001471194422 1062937809 /nfs/dbraw/zinc/93/78/09/1062937809.db2.gz KETRKGKHWDLQED-YZVOILCLSA-N 0 0 311.425 4.399 20 10 DICDRN Cc1ccc(CCC(=O)N[C@@H](C)c2ccccc2O)cc1Cl ZINC001471194653 1062938584 /nfs/dbraw/zinc/93/85/84/1062938584.db2.gz NWIVTMCJEXIFJA-ZDUSSCGKSA-N 0 0 317.816 4.164 20 10 DICDRN C[C@@H](NC(=O)CC(C)(C)c1ccc(F)cc1)c1ccccc1O ZINC001471195845 1062941697 /nfs/dbraw/zinc/94/16/97/1062941697.db2.gz NNENQPLDHVPHMY-CYBMUJFWSA-N 0 0 315.388 4.076 20 10 DICDRN C[C@H](NC(=O)c1c[nH]cc1-c1ccc(F)cc1)c1ccccc1O ZINC001471195355 1062941855 /nfs/dbraw/zinc/94/18/55/1062941855.db2.gz XFKSWKVPFZYVGY-LBPRGKRZSA-N 0 0 324.355 4.017 20 10 DICDRN CCOc1ccc(N(Cc2ncc(CC)o2)CC2CC2)cc1 ZINC001460628183 1062946313 /nfs/dbraw/zinc/94/63/13/1062946313.db2.gz MXXKFDSNJFVCEC-UHFFFAOYSA-N 0 0 300.402 4.052 20 10 DICDRN Oc1ccc(-c2nnc(CCC3CCCCC3)o2)c(Cl)c1O ZINC001256854720 1063016684 /nfs/dbraw/zinc/01/66/84/1063016684.db2.gz POEPXOSFALMDSN-UHFFFAOYSA-N 0 0 322.792 4.314 20 10 DICDRN O=C(NCc1c(O)cccc1F)c1ccc(C2=CCCC2)cc1 ZINC001471975762 1063037799 /nfs/dbraw/zinc/03/77/99/1063037799.db2.gz GMWTWKFXRCJYCY-UHFFFAOYSA-N 0 0 311.356 4.029 20 10 DICDRN C[C@]1(c2nnc(-c3ccc(-n4cccc4)cc3)o2)C[C@@H]2C=C[C@H]1C2 ZINC001256935957 1063055321 /nfs/dbraw/zinc/05/53/21/1063055321.db2.gz WFSCKRNCBWVHSU-IIMJZQEZSA-N 0 0 317.392 4.381 20 10 DICDRN COC1CCC(c2nnc(-c3ccc(-n4cccc4)cc3)o2)CC1 ZINC001256935852 1063055770 /nfs/dbraw/zinc/05/57/70/1063055770.db2.gz UUJOCSMVZXSQET-UHFFFAOYSA-N 0 0 323.396 4.200 20 10 DICDRN FC1(F)CC(c2nnc(-c3ccc(-n4cccc4)cc3)o2)C1 ZINC001256934959 1063056866 /nfs/dbraw/zinc/05/68/66/1063056866.db2.gz BTELKMQGJUSBOT-UHFFFAOYSA-N 0 0 301.296 4.040 20 10 DICDRN Cc1cc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)oc1C ZINC001256941206 1063059068 /nfs/dbraw/zinc/05/90/68/1063059068.db2.gz UDZIWMBNRUYDQI-UHFFFAOYSA-N 0 0 305.337 4.404 20 10 DICDRN c1ccn(-c2ccc(-c3nnc(CCc4cccs4)o3)cc2)c1 ZINC001256957322 1063059426 /nfs/dbraw/zinc/05/94/26/1063059426.db2.gz PVZRNHYSVQPELN-UHFFFAOYSA-N 0 0 321.405 4.374 20 10 DICDRN CC1(C)C[C@H](c2nnc(-c3ccc(-n4cccc4)cc3)o2)CCO1 ZINC001256965977 1063060937 /nfs/dbraw/zinc/06/09/37/1063060937.db2.gz PBNLRPPFYKGSDZ-OAHLLOKOSA-N 0 0 323.396 4.200 20 10 DICDRN c1ccn(-c2ccc(-c3nnc([C@@H]4Cc5ccccc54)o3)cc2)c1 ZINC001256961138 1063061442 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O=C(/C=C/c1ccc(Cl)cc1)NCc1cccc(Cl)c1O ZINC001472317022 1063071887 /nfs/dbraw/zinc/07/18/87/1063071887.db2.gz RRVPNPJWOXNHMG-RMKNXTFCSA-N 0 0 322.191 4.029 20 10 DICDRN C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)NCc1cc(Cl)ccc1O ZINC001478104688 1063077897 /nfs/dbraw/zinc/07/78/97/1063077897.db2.gz ZUWIYYAWJJCXHJ-FZMZJTMJSA-N 0 0 324.852 4.060 20 10 DICDRN C[C@H]1CC(C)(C)CC[C@H]1NC(=O)NCc1cc(Cl)ccc1O ZINC001478104692 1063079720 /nfs/dbraw/zinc/07/97/20/1063079720.db2.gz ZUWIYYAWJJCXHJ-SMDDNHRTSA-N 0 0 324.852 4.060 20 10 DICDRN CN(Cc1ccccc1O)C(=O)c1c(Cl)oc2ccccc21 ZINC001472489409 1063088022 /nfs/dbraw/zinc/08/80/22/1063088022.db2.gz MRUSRFNRAOBIRX-UHFFFAOYSA-N 0 0 315.756 4.064 20 10 DICDRN CN(Cc1ccc(N2CCCC2)cc1)c1ccnc(C(C)(C)C)n1 ZINC001472649091 1063119859 /nfs/dbraw/zinc/11/98/59/1063119859.db2.gz SSBUPFHFBCRUQI-UHFFFAOYSA-N 0 0 324.472 4.011 20 10 DICDRN CCOC(=O)c1cnc(S[C@@H](C)c2ccc(F)cc2)s1 ZINC001472675549 1063142363 /nfs/dbraw/zinc/14/23/63/1063142363.db2.gz XKBMVJZJNXKUEA-VIFPVBQESA-N 0 0 311.403 4.312 20 10 DICDRN COc1ccc(N(CC(C)C)C(=O)/C=C/c2ccc(C)nc2)cc1 ZINC001460991127 1063171898 /nfs/dbraw/zinc/17/18/98/1063171898.db2.gz FQHVAXAOZXWUAC-KPKJPENVSA-N 0 0 324.424 4.101 20 10 DICDRN Cc1ccc([N+](=O)[O-])c(Sc2ncc(C(C)(C)C)s2)n1 ZINC001472725069 1063184828 /nfs/dbraw/zinc/18/48/28/1063184828.db2.gz FJCPANREWQCXDP-UHFFFAOYSA-N 0 0 309.416 4.203 20 10 DICDRN CCCN(Cc1ccccc1O)c1ncnc2cccc(C)c21 ZINC001472725531 1063184880 /nfs/dbraw/zinc/18/48/80/1063184880.db2.gz GVPLGCQMXSVYJK-UHFFFAOYSA-N 0 0 307.397 4.060 20 10 DICDRN CC(C)[C@H]1CCC[C@H](NC(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC001478485938 1063190888 /nfs/dbraw/zinc/19/08/88/1063190888.db2.gz FXVYIPIPFPSHMJ-JYJNAYRXSA-N 0 0 318.461 4.357 20 10 DICDRN CC(C)[C@H]1CCC[C@H](NC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC001478487257 1063191507 /nfs/dbraw/zinc/19/15/07/1063191507.db2.gz SURUHVXREAAHHL-HOCLYGCPSA-N 0 0 316.445 4.022 20 10 DICDRN CCOCc1ccccc1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001461020468 1063193725 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CC[C@@H](C)n1ncc(NCc2cc(F)cc(F)c2O)c1C1CC1 ZINC001461382963 1063462054 /nfs/dbraw/zinc/46/20/54/1063462054.db2.gz PQLFSOJTHIAVCI-SNVBAGLBSA-N 0 0 321.371 4.327 20 10 DICDRN CCCCN(Cc1ccc(N(C)C)c(C)c1)CC(F)(F)F ZINC001473165552 1063470580 /nfs/dbraw/zinc/47/05/80/1063470580.db2.gz SANFAJCHIJIPKR-UHFFFAOYSA-N 0 0 302.384 4.225 20 10 DICDRN CC(C)Cc1ccccc1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001461656837 1063641129 /nfs/dbraw/zinc/64/11/29/1063641129.db2.gz CDKHWICLGWHXIC-UHFFFAOYSA-N 0 0 305.368 4.159 20 10 DICDRN CCCOc1ccc(CNCc2noc3ccccc23)cc1C ZINC001461755105 1063698298 /nfs/dbraw/zinc/69/82/98/1063698298.db2.gz SBEDXKOFAINTEY-UHFFFAOYSA-N 0 0 310.397 4.215 20 10 DICDRN CN(C)c1ccc(CNc2ccc(Cl)c(N(C)C)c2)cc1F ZINC001461768837 1063706535 /nfs/dbraw/zinc/70/65/35/1063706535.db2.gz SKIGFXFCOUBWGV-UHFFFAOYSA-N 0 0 321.827 4.223 20 10 DICDRN Cc1cc(O)c(CNc2ccc3c(c2)C[C@H](C)O3)c(Cl)c1 ZINC001461793025 1063721443 /nfs/dbraw/zinc/72/14/43/1063721443.db2.gz DTMMIWQBBVDHCP-NSHDSACASA-N 0 0 303.789 4.290 20 10 DICDRN C[C@H]1Cc2cc(NCc3c(O)ccc(Cl)c3F)ccc2O1 ZINC001461800915 1063723949 /nfs/dbraw/zinc/72/39/49/1063723949.db2.gz VVBGXKGPMMTAEY-VIFPVBQESA-N 0 0 307.752 4.120 20 10 DICDRN CC[N@@H+](Cc1cc(F)cc(F)c1[O-])Cc1ccccc1Cl ZINC001461872716 1063763370 /nfs/dbraw/zinc/76/33/70/1063763370.db2.gz SPAVBUMVGMJHCZ-UHFFFAOYSA-N 0 0 311.759 4.346 20 10 DICDRN [O-]c1cc(F)c(F)cc1C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC001461883753 1063771582 /nfs/dbraw/zinc/77/15/82/1063771582.db2.gz IPZPJZPPXZCDTN-SFHVURJKSA-N 0 0 315.363 4.322 20 10 DICDRN CCC[N@H+](Cc1ccc(OCC)c(F)c1)Cc1ccccc1O ZINC001461957768 1063837563 /nfs/dbraw/zinc/83/75/63/1063837563.db2.gz IUMAJMIQKYBLAH-UHFFFAOYSA-N 0 0 317.404 4.342 20 10 DICDRN CC(C)=C(C)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC001461967744 1063847936 /nfs/dbraw/zinc/84/79/36/1063847936.db2.gz LRFRHGXXZKRMMW-UHFFFAOYSA-N 0 0 310.441 4.109 20 10 DICDRN COc1ccc2c(c1)CCN2CCCc1c(F)cccc1Cl ZINC001461987581 1063858518 /nfs/dbraw/zinc/85/85/18/1063858518.db2.gz 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C[C@@H]1CCC[C@@]1(C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001290373653 1064691978 /nfs/dbraw/zinc/69/19/78/1064691978.db2.gz BWYPKLKKDQAEHE-OXQOHEQNSA-N 0 0 314.473 4.072 20 10 DICDRN CCc1ccccc1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001290552633 1064699419 /nfs/dbraw/zinc/69/94/19/1064699419.db2.gz UJFCKMGLVGLKRO-UHFFFAOYSA-N 0 0 313.378 4.127 20 10 DICDRN CCCCN(CCCC)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001290936753 1064717778 /nfs/dbraw/zinc/71/77/78/1064717778.db2.gz KHYDJDFJKSYKNT-UHFFFAOYSA-N 0 0 321.442 4.355 20 10 DICDRN CC(C)c1ccc(NC(=S)NNc2c(F)cccc2F)cc1 ZINC000735625028 1064721266 /nfs/dbraw/zinc/72/12/66/1064721266.db2.gz CZGLYVWNMBDDOZ-UHFFFAOYSA-N 0 0 321.396 4.402 20 10 DICDRN CCOC(=O)c1cnc(S[C@H](C)c2ccccc2OC)s1 ZINC001306980445 1064727130 /nfs/dbraw/zinc/72/71/30/1064727130.db2.gz IKENTSMPWBTEAP-SNVBAGLBSA-N 0 0 323.439 4.182 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC(C)=C(C)C1 ZINC001292179412 1064762099 /nfs/dbraw/zinc/76/20/99/1064762099.db2.gz SXEKGBXOLOJGPJ-SFHVURJKSA-N 0 0 314.473 4.238 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)CC(C)(C)C2CC2)cc1F ZINC001293224686 1064804410 /nfs/dbraw/zinc/80/44/10/1064804410.db2.gz DRGKJBASVCYUGM-UHFFFAOYSA-N 0 0 320.452 4.114 20 10 DICDRN Cc1cc(C(=O)N2CC3(CCC3)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC001294843472 1064886092 /nfs/dbraw/zinc/88/60/92/1064886092.db2.gz IMMXJMPIXVBZIO-UHFFFAOYSA-N 0 0 322.452 4.337 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](C)[C@H](C)C2)cc1 ZINC001295080883 1064900029 /nfs/dbraw/zinc/90/00/29/1064900029.db2.gz JUHOLDNAFXGAGX-HUUCEWRRSA-N 0 0 310.441 4.212 20 10 DICDRN Cc1nc(-c2ccccc2NC(=O)C2=CC(=O)CS2)cs1 ZINC001297440489 1064978467 /nfs/dbraw/zinc/97/84/67/1064978467.db2.gz NOKCFYSXJMFPSK-UHFFFAOYSA-N 0 0 316.407 4.138 20 10 DICDRN Cc1cc(C(=O)NC/C=C/C2CC2)c(C)n1-c1cccc(C)c1 ZINC001298319964 1065002800 /nfs/dbraw/zinc/00/28/00/1065002800.db2.gz FXLSLUCURJHMKN-FNORWQNLSA-N 0 0 308.425 4.099 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)C[C@H]1CC1(C)C ZINC001301430976 1065065077 /nfs/dbraw/zinc/06/50/77/1065065077.db2.gz 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ZINC001307677894 1065559086 /nfs/dbraw/zinc/55/90/86/1065559086.db2.gz BVRMEFHABISKSI-LSDHHAIUSA-N 0 0 317.351 4.020 20 10 DICDRN CC(C)Oc1ccc(N(C)C[C@@H]2CCCC3(CCC3)O2)cc1 ZINC001307679157 1065559901 /nfs/dbraw/zinc/55/99/01/1065559901.db2.gz SBWUFQGTGHGJHN-SFHVURJKSA-N 0 0 303.446 4.402 20 10 DICDRN CN(C[C@@H]1CCCCO1)c1ccc(OCc2ccccc2)cc1 ZINC001307689935 1065564014 /nfs/dbraw/zinc/56/40/14/1065564014.db2.gz VEVZFYQFZUCZKX-FQEVSTJZSA-N 0 0 311.425 4.271 20 10 DICDRN CN(Cc1ccc(Cl)cn1)c1ccc(-c2nccs2)cc1 ZINC001307829094 1065642416 /nfs/dbraw/zinc/64/24/16/1065642416.db2.gz PQFPLAAXJPGSLY-UHFFFAOYSA-N 0 0 315.829 4.495 20 10 DICDRN COc1cc2c(c(OC)c1)N(Cc1cc(F)ccc1C)CCC2 ZINC001307840695 1065646269 /nfs/dbraw/zinc/64/62/69/1065646269.db2.gz CVHITRFHXBDJKB-UHFFFAOYSA-N 0 0 315.388 4.104 20 10 DICDRN COc1cc2c(c(OC)c1)N(CC1CCCCCC1)CCC2 ZINC001307841110 1065648532 /nfs/dbraw/zinc/64/85/32/1065648532.db2.gz GALCOCPUUBIDHO-UHFFFAOYSA-N 0 0 303.446 4.427 20 10 DICDRN CCOc1ccc(N(Cc2scnc2C)CC2CC2)cc1 ZINC001308001804 1065718881 /nfs/dbraw/zinc/71/88/81/1065718881.db2.gz VQZNBNPZPYOLEK-UHFFFAOYSA-N 0 0 302.443 4.267 20 10 DICDRN CCOc1ccc(N(Cc2ccc(CC)cn2)CC2CC2)cc1 ZINC001308001280 1065719393 /nfs/dbraw/zinc/71/93/93/1065719393.db2.gz NNETXIBCJNRWOG-UHFFFAOYSA-N 0 0 310.441 4.459 20 10 DICDRN CN(C)c1ccc(CN2CCCCC[C@@H]2C(F)(F)F)cc1 ZINC001308076954 1065753275 /nfs/dbraw/zinc/75/32/75/1065753275.db2.gz VOFHRXDVQPRFSH-OAHLLOKOSA-N 0 0 300.368 4.060 20 10 DICDRN Oc1c(F)cc(F)cc1CNc1cccc(OC(F)(F)F)c1 ZINC001308212424 1065820920 /nfs/dbraw/zinc/82/09/20/1065820920.db2.gz REMQSCWTMZAPQG-UHFFFAOYSA-N 0 0 319.229 4.181 20 10 DICDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])[C@@H](C)c1ccccc1 ZINC001308295264 1065890741 /nfs/dbraw/zinc/89/07/41/1065890741.db2.gz NMZOAKDJGYBRRA-VXGBXAGGSA-N 0 0 307.796 4.467 20 10 DICDRN CSCc1ccc(NCc2ccc(N(C)C)c(F)c2)cc1 ZINC001308315224 1065907991 /nfs/dbraw/zinc/90/79/91/1065907991.db2.gz UZBJKDKTNDNIAQ-UHFFFAOYSA-N 0 0 304.434 4.367 20 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319.832 4.433 20 10 DICDRN Cc1cc(Br)c([O-])c(C[NH2+]CCC[C@H]2C=CCC2)c1 ZINC001308508964 1066036258 /nfs/dbraw/zinc/03/62/58/1066036258.db2.gz VPWIVKSUDGNVHQ-ZDUSSCGKSA-N 0 0 324.262 4.299 20 10 DICDRN Oc1cccc(Cl)c1CNc1nc2cc(Cl)ccc2[nH]1 ZINC001308510444 1066037136 /nfs/dbraw/zinc/03/71/36/1066037136.db2.gz UBWKOWFZIRXVHN-UHFFFAOYSA-N 0 0 308.168 4.187 20 10 DICDRN CCN(CC)c1ccc(CNc2nn(CC)cc2Cl)cc1F ZINC001308526658 1066047400 /nfs/dbraw/zinc/04/74/00/1066047400.db2.gz NXLUEINZRTVKNF-UHFFFAOYSA-N 0 0 324.831 4.154 20 10 DICDRN CC(C)c1cncc(NCc2c(O)cccc2Br)c1 ZINC001308538695 1066055721 /nfs/dbraw/zinc/05/57/21/1066055721.db2.gz XWQJONZLWXQNRJ-UHFFFAOYSA-N 0 0 321.218 4.285 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CCCc2ccccc2C1 ZINC001308537740 1066055731 /nfs/dbraw/zinc/05/57/31/1066055731.db2.gz IUWLMAWDIZURIT-INIZCTEOSA-N 0 0 319.807 4.222 20 10 DICDRN C[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2[O-])CC[C@H]1c1ccccc1 ZINC001308564007 1066071287 /nfs/dbraw/zinc/07/12/87/1066071287.db2.gz CKHYIKJFBYVRQI-CZUORRHYSA-N 0 0 317.379 4.296 20 10 DICDRN [O-]c1c(C[N@@H+](Cc2ccccc2)CC2CCC2)ccc(F)c1F ZINC001308632520 1066127864 /nfs/dbraw/zinc/12/78/64/1066127864.db2.gz POUKJRLOKNKACE-UHFFFAOYSA-N 0 0 317.379 4.473 20 10 DICDRN C[N@H+](Cc1cccc(Cl)c1)Cc1c([O-])ccc(Cl)c1F ZINC001308661581 1066142077 /nfs/dbraw/zinc/14/20/77/1066142077.db2.gz BDCPUHHNNGEQBF-UHFFFAOYSA-N 0 0 314.187 4.470 20 10 DICDRN CCc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(Cl)c1[O-])CCO2 ZINC001308668198 1066146015 /nfs/dbraw/zinc/14/60/15/1066146015.db2.gz NHNYPBIXIQZOAK-MRXNPFEDSA-N 0 0 317.816 4.221 20 10 DICDRN COc1ccc(N(C)Cc2ccc(CC(C)C)nc2)cc1F ZINC001308676707 1066150607 /nfs/dbraw/zinc/15/06/07/1066150607.db2.gz IHVRUKIQCRCVJE-UHFFFAOYSA-N 0 0 302.393 4.064 20 10 DICDRN Oc1c(F)cc(Cl)cc1CN1CCc2ccc(Cl)cc21 ZINC001308677982 1066151775 /nfs/dbraw/zinc/15/17/75/1066151775.db2.gz QTIQCZKCNWGQKC-UHFFFAOYSA-N 0 0 312.171 4.401 20 10 DICDRN [O-]c1c(C[NH2+]C2(Cc3cccc(F)c3)CCC2)ccc(F)c1F ZINC001308708993 1066192834 /nfs/dbraw/zinc/19/28/34/1066192834.db2.gz ISZQUXKKUAILOD-UHFFFAOYSA-N 0 0 321.342 4.065 20 10 DICDRN C[C@H]1CN(Cc2ccc(Cl)cc2O)c2cc(Cl)ccc2O1 ZINC001308710520 1066193020 /nfs/dbraw/zinc/19/30/20/1066193020.db2.gz NPEAYGFJIRGTEL-JTQLQIEISA-N 0 0 324.207 4.487 20 10 DICDRN C[N@H+](Cc1cc(F)cc(F)c1)Cc1cc(Cl)c(F)cc1[O-] ZINC001308739020 1066214222 /nfs/dbraw/zinc/21/42/22/1066214222.db2.gz FYXFXVUSDWWVPY-UHFFFAOYSA-N 0 0 315.722 4.095 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC=C(c2ccccc2)C1 ZINC001308754653 1066227831 /nfs/dbraw/zinc/22/78/31/1066227831.db2.gz BNYOASDHBIRDFF-UHFFFAOYSA-N 0 0 317.791 4.474 20 10 DICDRN Cc1cc(O)c(CN2CC(C)(C)[C@H]2c2cccnc2)c(Cl)c1 ZINC001308778036 1066250091 /nfs/dbraw/zinc/25/00/91/1066250091.db2.gz GCESKTMJGODPTA-QGZVFWFLSA-N 0 0 316.832 4.332 20 10 DICDRN CCOc1ncc(C)cc1NCc1cc(Cl)c(C)cc1O ZINC001308785048 1066260696 /nfs/dbraw/zinc/26/06/96/1066260696.db2.gz OQPXCKWDXAIIMK-UHFFFAOYSA-N 0 0 306.793 4.068 20 10 DICDRN Cc1cc(C)c2c(c1)N(Cc1cc(Cl)c(F)cc1O)CCO2 ZINC001308849789 1066327260 /nfs/dbraw/zinc/32/72/60/1066327260.db2.gz XLVXKTRURWCNBJ-UHFFFAOYSA-N 0 0 321.779 4.201 20 10 DICDRN CC(C)[C@@](C)(Cc1ccccc1)[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001308900468 1066377772 /nfs/dbraw/zinc/37/77/72/1066377772.db2.gz FUXOMBUCHRNAEJ-LJQANCHMSA-N 0 0 319.395 4.417 20 10 DICDRN CC[C@@H](C)Oc1cccc(NCc2cc(Cl)c(F)cc2O)n1 ZINC001308911347 1066389212 /nfs/dbraw/zinc/38/92/12/1066389212.db2.gz HIOPMWWHVRIGNE-SNVBAGLBSA-N 0 0 324.783 4.369 20 10 DICDRN Oc1c(CN[C@@H]2c3ccccc3OC[C@@H]2F)ccc2ccccc21 ZINC001308936369 1066408637 /nfs/dbraw/zinc/40/86/37/1066408637.db2.gz FIYUOECCIVKHPB-PKOBYXMFSA-N 0 0 323.367 4.107 20 10 DICDRN CCc1ccc2c(c1)C[N@@H+](Cc1ccc(Cl)cc1O)CC2 ZINC001308987659 1066433125 /nfs/dbraw/zinc/43/31/25/1066433125.db2.gz KGWXXGXBFBTHCP-UHFFFAOYSA-N 0 0 301.817 4.166 20 10 DICDRN CCC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000756355510 1066468695 /nfs/dbraw/zinc/46/86/95/1066468695.db2.gz PLBSXMOGNSYBDI-SUMWQHHRSA-N 0 0 314.385 4.492 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(Cl)cc1 ZINC000756343520 1066468842 /nfs/dbraw/zinc/46/88/42/1066468842.db2.gz OWNCZRNREYFAAS-MNOVXSKESA-N 0 0 320.776 4.366 20 10 DICDRN O=C(NCc1c(O)cccc1F)Nc1ccc2sccc2c1 ZINC001309988292 1066473362 /nfs/dbraw/zinc/47/33/62/1066473362.db2.gz PPIRPNUZVCMWDD-UHFFFAOYSA-N 0 0 316.357 4.068 20 10 DICDRN CC(C)CCC[C@H](C)NC(=O)NCc1cccc(Cl)c1O ZINC001311370143 1066629767 /nfs/dbraw/zinc/62/97/67/1066629767.db2.gz DHKDWMIWCCUHCK-LBPRGKRZSA-N 0 0 312.841 4.060 20 10 DICDRN Cc1csc(CN(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000088576365 185258432 /nfs/dbraw/zinc/25/84/32/185258432.db2.gz YNCWSYADLRXSJN-UHFFFAOYSA-N 0 0 315.486 4.074 20 10 DICDRN CCN(C)c1ccc([C@@H](C)NCc2nc(C3CC3)cs2)cc1 ZINC000090460345 185297589 /nfs/dbraw/zinc/29/75/89/185297589.db2.gz BOASTLZPNQHAHA-CYBMUJFWSA-N 0 0 315.486 4.327 20 10 DICDRN CCOc1cccc(CNc2ccc(OC(F)F)cc2)c1O ZINC000236966003 202099678 /nfs/dbraw/zinc/09/96/78/202099678.db2.gz NYLNIQLBKFGIGZ-UHFFFAOYSA-N 0 0 309.312 4.004 20 10 DICDRN CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2cccc(F)c2[O-])s1 ZINC000272297402 130017898 /nfs/dbraw/zinc/01/78/98/130017898.db2.gz PAWNBENOXORLSC-LLVKDONJSA-N 0 0 308.422 4.052 20 10 DICDRN C[C@@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)c1ccc(F)cc1[O-] ZINC000273503609 130129140 /nfs/dbraw/zinc/12/91/40/130129140.db2.gz QOMHREDMGJUANY-HIFRSBDPSA-N 0 0 307.409 4.064 20 10 DICDRN C[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273539586 130133898 /nfs/dbraw/zinc/13/38/98/130133898.db2.gz YBCHQCJTRAVQHY-OUAUKWLOSA-N 0 0 318.244 4.165 20 10 DICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1=CCCCC1 ZINC000275658913 130357140 /nfs/dbraw/zinc/35/71/40/130357140.db2.gz DITTUWPNCNZMGS-UHFFFAOYSA-N 0 0 312.457 4.136 20 10 DICDRN CCNC(=O)Nc1ccc(C)c(N[C@H](C)c2ccccc2O)c1 ZINC000279494390 130749124 /nfs/dbraw/zinc/74/91/24/130749124.db2.gz MAKGTTUWIISWII-CYBMUJFWSA-N 0 0 313.401 4.015 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1[O-] ZINC000285996613 131214483 /nfs/dbraw/zinc/21/44/83/131214483.db2.gz IKDGKBVYEADKFD-ZBEGNZNMSA-N 0 0 318.348 4.241 20 10 DICDRN CC[C@H]([NH2+][C@H](C)c1nnc(C)s1)c1cccc(Cl)c1[O-] ZINC000287298113 131273441 /nfs/dbraw/zinc/27/34/41/131273441.db2.gz CGELMPUATSYWFC-PELKAZGASA-N 0 0 311.838 4.007 20 10 DICDRN C[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000287700877 131295703 /nfs/dbraw/zinc/29/57/03/131295703.db2.gz XDXTUCVUWFOFQY-DCAQKATOSA-N 0 0 318.244 4.022 20 10 DICDRN CC(=O)N(c1ccc(NCc2cc(C)ccc2O)cc1)[C@H]1C[C@H]1C ZINC000293550709 131745777 /nfs/dbraw/zinc/74/57/77/131745777.db2.gz ZADFZJWGMRNVFO-KUHUBIRLSA-N 0 0 324.424 4.074 20 10 DICDRN C[C@H](NC(=O)N(C)Cc1ccccc1O)c1cccc(C2CC2)c1 ZINC000297590225 132024057 /nfs/dbraw/zinc/02/40/57/132024057.db2.gz MQVPSIUOJJRNRP-AWEZNQCLSA-N 0 0 324.424 4.172 20 10 DICDRN Cc1cc(C(=O)Nc2c(C)noc2C)c(C)n1-c1ccccc1C ZINC000299662602 132114937 /nfs/dbraw/zinc/11/49/37/132114937.db2.gz HSVDXVJMHJPUFX-UHFFFAOYSA-N 0 0 323.396 4.260 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccc(OC)cc1 ZINC000170789236 332636460 /nfs/dbraw/zinc/63/64/60/332636460.db2.gz BCIHVRQMBOVUBR-YVEFUNNKSA-N 0 0 303.377 4.342 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCOc2c(Cl)cccc21)c1ccc(F)cc1[O-] ZINC000185185086 333205252 /nfs/dbraw/zinc/20/52/52/333205252.db2.gz PPFQWOFDHSLVDL-ZUZCIYMTSA-N 0 0 321.779 4.359 20 10 DICDRN COc1cc(Cl)ccc1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185399488 333208152 /nfs/dbraw/zinc/20/81/52/333208152.db2.gz XCPLJAFKUWUGFW-JTQLQIEISA-N 0 0 309.768 4.044 20 10 DICDRN Cc1[nH]c2ccccc2c1C1=CCN(c2ccc(F)cn2)CC1 ZINC000583666036 336281453 /nfs/dbraw/zinc/28/14/53/336281453.db2.gz AQGFYYYBVRACNO-UHFFFAOYSA-N 0 0 307.372 4.304 20 10 DICDRN C[C@H](Nc1cc(C(F)(F)F)ccn1)c1ccc(N(C)C)cc1 ZINC000302407714 336358431 /nfs/dbraw/zinc/35/84/31/336358431.db2.gz MDNDHTBXQZLNBA-NSHDSACASA-N 0 0 309.335 4.340 20 10 DICDRN C[C@H](Nc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(N(C)C)cc1 ZINC000302451402 336359048 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C[C@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1ccc(F)cc1[O-] ZINC000527962108 337780248 /nfs/dbraw/zinc/78/02/48/337780248.db2.gz FCEUUAQPFSAIAO-SGTLLEGYSA-N 0 0 300.377 4.118 20 10 DICDRN CCCC[C@@H](CC)CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000437008489 338297640 /nfs/dbraw/zinc/29/76/40/338297640.db2.gz RWNITWSWVGAMRO-OAHLLOKOSA-N 0 0 318.461 4.085 20 10 DICDRN Cc1c2ccccc2n(C)c1CNC(=O)c1csc(Cl)c1 ZINC000471225714 339340407 /nfs/dbraw/zinc/34/04/07/339340407.db2.gz DQLDXTPUYHVSAH-UHFFFAOYSA-N 0 0 318.829 4.132 20 10 DICDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1CC12CCCCC2 ZINC000471230391 339340645 /nfs/dbraw/zinc/34/06/45/339340645.db2.gz QERMETGUDQFCJX-INIZCTEOSA-N 0 0 310.441 4.073 20 10 DICDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)c1ccccc1 ZINC000471475417 339345748 /nfs/dbraw/zinc/34/57/48/339345748.db2.gz JSJIVZHKGQYITC-HNNXBMFYSA-N 0 0 321.424 4.047 20 10 DICDRN CCN(C(=O)NCc1c(C)c2ccccc2n1C)[C@@H](C)C(C)C ZINC000472221978 339366229 /nfs/dbraw/zinc/36/62/29/339366229.db2.gz GXZHGOXFEIGMQI-HNNXBMFYSA-N 0 0 315.461 4.063 20 10 DICDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccoc1C(C)C ZINC000481132335 339596236 /nfs/dbraw/zinc/59/62/36/339596236.db2.gz BCSIUHFUDLMRMR-UHFFFAOYSA-N 0 0 310.397 4.133 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)Nc1c(C)cccc1F ZINC000182785761 521688345 /nfs/dbraw/zinc/68/83/45/521688345.db2.gz VQYJFORJJZYSHV-UHFFFAOYSA-N 0 0 316.376 4.284 20 10 DICDRN CO[C@@H](C)c1nc(CN(C)c2ccc(OC(C)C)cc2)cs1 ZINC000191587883 523465263 /nfs/dbraw/zinc/46/52/63/523465263.db2.gz GBTQAJSRNLFRPC-ZDUSSCGKSA-N 0 0 320.458 4.274 20 10 DICDRN COc1ccc(F)cc1[C@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000158107515 524332221 /nfs/dbraw/zinc/33/22/21/524332221.db2.gz XOPBGRGXLVUTNB-JTQLQIEISA-N 0 0 309.768 4.044 20 10 DICDRN COc1ccc(O)c([C@@H](C)Nc2ccc(SC)cc2OC)c1 ZINC000193441100 524767977 /nfs/dbraw/zinc/76/79/77/524767977.db2.gz WFALNTFXESBMQW-LLVKDONJSA-N 0 0 319.426 4.304 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCCc2sccc21)c1ccc(F)c(F)c1[O-] ZINC000187922662 525564922 /nfs/dbraw/zinc/56/49/22/525564922.db2.gz 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CC[C@@H](Nc1cc(CCOC)ccn1)c1cccc(Cl)c1O ZINC000287144966 535809591 /nfs/dbraw/zinc/80/95/91/535809591.db2.gz SLUQUDQXFLPETG-OAHLLOKOSA-N 0 0 320.820 4.193 20 10 DICDRN CC[C@H]([NH2+]Cc1cccc2c1OCO2)c1cccc(Cl)c1[O-] ZINC000287675427 535921450 /nfs/dbraw/zinc/92/14/50/535921450.db2.gz MKIBWHAEMFUFGX-AWEZNQCLSA-N 0 0 319.788 4.015 20 10 DICDRN CC[C@H]([NH2+][C@H](C)c1nnc(C(C)C)[nH]1)c1cccc(Cl)c1[O-] ZINC000287900983 535942621 /nfs/dbraw/zinc/94/26/21/535942621.db2.gz ZQFHNLQNLGAECD-MFKMUULPSA-N 0 0 322.840 4.089 20 10 DICDRN C[C@@H]([NH2+]CCC[C@@H]1CC1(Cl)Cl)c1cc(F)cc(F)c1[O-] ZINC000846215200 1050695564 /nfs/dbraw/zinc/69/55/64/1050695564.db2.gz MZJZLQNPSWZYLD-RKDXNWHRSA-N 0 0 324.198 4.295 20 10 DICDRN Cn1c(-c2ccccc2)cnc1SCc1ccc(Cl)nc1 ZINC000023382795 1035615978 /nfs/dbraw/zinc/61/59/78/1035615978.db2.gz OAPHURUOGFFOQV-UHFFFAOYSA-N 0 0 315.829 4.428 20 10 DICDRN CCN(C(=O)/C=C/c1scnc1C)c1cc(C)cc(C)c1 ZINC001125282984 1035627500 /nfs/dbraw/zinc/62/75/00/1035627500.db2.gz BHOHZARFOCNGJD-VOTSOKGWSA-N 0 0 300.427 4.135 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001625794002 1035683656 /nfs/dbraw/zinc/68/36/56/1035683656.db2.gz AKTDXDVDHIOZSA-LZLYRXPVSA-N 0 0 316.489 4.173 20 10 DICDRN CC[C@H]1CCC[C@]1(C)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC001625794465 1035688130 /nfs/dbraw/zinc/68/81/30/1035688130.db2.gz IPKDGQQPUGSTHW-PXNSSMCTSA-N 0 0 316.489 4.318 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)Nc1c(F)cccc1F ZINC000118790225 1035830803 /nfs/dbraw/zinc/83/08/03/1035830803.db2.gz ZWBUHALFSUVONV-UHFFFAOYSA-N 0 0 320.339 4.115 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)/C=C/c2ccccc2)cc1 ZINC000728218879 1036006471 /nfs/dbraw/zinc/00/64/71/1036006471.db2.gz DEXHFLVQSRSJMC-DTQAZKPQSA-N 0 0 322.452 4.205 20 10 DICDRN CCC[C@@H](NC(=O)N(C)Cc1ccccc1O)C1CCCCC1 ZINC000728218493 1036011027 /nfs/dbraw/zinc/01/10/27/1036011027.db2.gz CZDHIMUWHMXQOB-QGZVFWFLSA-N 0 0 318.461 4.283 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)c2cc(C)oc2C)cc1 ZINC000728222258 1036074946 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Cc1cc(CCNC(=O)CC2CCCC2)c(C)n1-c1ccccc1 ZINC001131781696 1041197073 /nfs/dbraw/zinc/19/70/73/1041197073.db2.gz KENTVMLVMUYUJZ-UHFFFAOYSA-N 0 0 324.468 4.333 20 10 DICDRN Cc1cccc2cc(C(=O)N(C)Cc3ccccc3O)sc21 ZINC000809612920 1041197345 /nfs/dbraw/zinc/19/73/45/1041197345.db2.gz FNJWVNPNGBDZJS-UHFFFAOYSA-N 0 0 311.406 4.188 20 10 DICDRN CC/C(C)=C/C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC001131785145 1041200708 /nfs/dbraw/zinc/20/07/08/1041200708.db2.gz MSTMOXIDGDILNW-FYWRMAATSA-N 0 0 310.441 4.109 20 10 DICDRN Cc1cc(CCNC(=O)[C@@H]2CCC2(C)C)c(C)n1-c1ccccc1 ZINC001131785026 1041202555 /nfs/dbraw/zinc/20/25/55/1041202555.db2.gz HQXAMNCQWYMYAH-IBGZPJMESA-N 0 0 324.468 4.189 20 10 DICDRN Cc1cc(F)ccc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809776099 1041237342 /nfs/dbraw/zinc/23/73/42/1041237342.db2.gz UJBVDNTUNMMCKV-UHFFFAOYSA-N 0 0 314.187 4.436 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)CC1(C)CCCC1 ZINC000809804732 1041249435 /nfs/dbraw/zinc/24/94/35/1041249435.db2.gz YZESDXQCWUJUMY-UHFFFAOYSA-N 0 0 303.446 4.491 20 10 DICDRN C[C@@H](Nc1cncc(Br)c1)c1ccc(N(C)C)cc1 ZINC000302029987 1041254837 /nfs/dbraw/zinc/25/48/37/1041254837.db2.gz JPMQFHXESBYCFA-LLVKDONJSA-N 0 0 320.234 4.083 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCCC23CC3)cc1 ZINC001131941874 1041272569 /nfs/dbraw/zinc/27/25/69/1041272569.db2.gz GYLCHRFCCXWZSQ-SFHVURJKSA-N 0 0 308.425 4.157 20 10 DICDRN COc1cccc(O)c1CNc1ccc(-c2ccccc2)c(C)n1 ZINC000810165507 1041323074 /nfs/dbraw/zinc/32/30/74/1041323074.db2.gz UTFSZLVYHIXFRM-UHFFFAOYSA-N 0 0 320.392 4.383 20 10 DICDRN CC[C@H](Nc1cnn(C)c1C)c1ccc(C(F)(F)F)cc1O ZINC000810233745 1041344864 /nfs/dbraw/zinc/34/48/64/1041344864.db2.gz NZVBPCDHGSUWMB-LBPRGKRZSA-N 0 0 313.323 4.016 20 10 DICDRN CC[C@@H](Nc1cnn(CC)c1)c1ccc(C(F)(F)F)cc1O ZINC000810232149 1041345032 /nfs/dbraw/zinc/34/50/32/1041345032.db2.gz ACOFGWIOLIOOKM-CYBMUJFWSA-N 0 0 313.323 4.191 20 10 DICDRN CC[C@H]([NH2+]CCCOC(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810208723 1041347150 /nfs/dbraw/zinc/34/71/50/1041347150.db2.gz WTIBTZFQWWHEIK-AWEZNQCLSA-N 0 0 319.367 4.267 20 10 DICDRN CC[C@H]([NH2+][C@H](C)[C@H](C)OC)c1ccc(Cl)c(Cl)c1[O-] ZINC000810258812 1041348972 /nfs/dbraw/zinc/34/89/72/1041348972.db2.gz ZQDXUKSAQQKMIZ-PTRXPTGYSA-N 0 0 306.233 4.163 20 10 DICDRN CC[C@@H](C[NH2+][C@@H](CC)c1ccc(Cl)c(Cl)c1[O-])OC ZINC000810260212 1041349621 /nfs/dbraw/zinc/34/96/21/1041349621.db2.gz GXUOVHFKEFKZPI-CABZTGNLSA-N 0 0 306.233 4.165 20 10 DICDRN CC[C@@H](N[C@@H](C)C(F)(F)F)c1ccc(C(F)(F)F)cc1O ZINC000810239464 1041353053 /nfs/dbraw/zinc/35/30/53/1041353053.db2.gz CNQDZXSKEBJFRQ-OIBJUYFYSA-N 0 0 315.257 4.403 20 10 DICDRN CC[C@H](N[C@@H](C)C(F)(F)F)c1ccc(C(F)(F)F)cc1O ZINC000810239466 1041355206 /nfs/dbraw/zinc/35/52/06/1041355206.db2.gz CNQDZXSKEBJFRQ-XVKPBYJWSA-N 0 0 315.257 4.403 20 10 DICDRN C[C@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc(F)cc1[O-] ZINC000810250988 1041358574 /nfs/dbraw/zinc/35/85/74/1041358574.db2.gz RQQKXJBWHCXZRK-CRFBAAHOSA-N 0 0 315.388 4.102 20 10 DICDRN CN(C)c1ccc(CN(Cc2ccco2)C2CC2)c(Cl)c1 ZINC001140926259 1041358990 /nfs/dbraw/zinc/35/89/90/1041358990.db2.gz JIQVKTCTEOSGHN-UHFFFAOYSA-N 0 0 304.821 4.164 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)CCc1ccc(C)s1 ZINC000810305846 1041372526 /nfs/dbraw/zinc/37/25/26/1041372526.db2.gz VMIGDNNSIFAPNC-UHFFFAOYSA-N 0 0 317.454 4.134 20 10 DICDRN CCC(=CC(=O)NCc1cc(C)n(-c2ccccc2)c1C)CC ZINC001132268043 1041387964 /nfs/dbraw/zinc/38/79/64/1041387964.db2.gz RVUBFESJOJCJRZ-UHFFFAOYSA-N 0 0 310.441 4.457 20 10 DICDRN FC(F)Oc1ccc2c(c1)CCCN2CCc1cccs1 ZINC001167717563 1041435271 /nfs/dbraw/zinc/43/52/71/1041435271.db2.gz XDHVHQOIYRKYPT-UHFFFAOYSA-N 0 0 309.381 4.345 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cccc(O)c1 ZINC000747696621 1041503065 /nfs/dbraw/zinc/50/30/65/1041503065.db2.gz QVNFSUPUKALPHQ-UHFFFAOYSA-N 0 0 312.394 4.114 20 10 DICDRN COc1ccc(O)c(CNc2ccnc3c(Cl)cccc23)c1 ZINC000811805560 1041569027 /nfs/dbraw/zinc/56/90/27/1041569027.db2.gz WSMYDDOIKGADHK-UHFFFAOYSA-N 0 0 314.772 4.215 20 10 DICDRN COc1ccc(O)c(CNc2ncc(-c3ccccc3)s2)c1 ZINC000811806395 1041569329 /nfs/dbraw/zinc/56/93/29/1041569329.db2.gz VIHVTCKSBQKDMS-UHFFFAOYSA-N 0 0 312.394 4.136 20 10 DICDRN Cc1cccc2nc(NCc3c(O)ccc(Cl)c3F)oc21 ZINC000811839528 1041572648 /nfs/dbraw/zinc/57/26/48/1041572648.db2.gz IJVDJJMOOSHZLO-UHFFFAOYSA-N 0 0 306.724 4.246 20 10 DICDRN Cc1cc(O)c(CNc2cnc(C(F)(F)F)cc2C)cc1C ZINC000811840170 1041572918 /nfs/dbraw/zinc/57/29/18/1041572918.db2.gz PTFLULJOXVIBEA-UHFFFAOYSA-N 0 0 310.319 4.343 20 10 DICDRN CC(C)(NCc1ccc(N2CCCCC2)cc1)c1nccs1 ZINC000116380953 1041577168 /nfs/dbraw/zinc/57/71/68/1041577168.db2.gz UBWCKBTWACWHCT-UHFFFAOYSA-N 0 0 315.486 4.158 20 10 DICDRN CC(C)Oc1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000756432377 1041587206 /nfs/dbraw/zinc/58/72/06/1041587206.db2.gz RHFBHRUZEOBKCO-ZDUSSCGKSA-N 0 0 303.377 4.169 20 10 DICDRN CCC(CC)N(CC)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000812200530 1041598900 /nfs/dbraw/zinc/59/89/00/1041598900.db2.gz VYQGJBMCAROUFT-CQSZACIVSA-N 0 0 305.466 4.034 20 10 DICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCCC1CC1 ZINC000812450780 1041622463 /nfs/dbraw/zinc/62/24/63/1041622463.db2.gz DGUFFOOIQBYACR-UHFFFAOYSA-N 0 0 314.473 4.216 20 10 DICDRN Cc1cc(N(C)C)ccc1CN[C@@H](c1ccccc1)C(F)(F)F ZINC000812715960 1041640713 /nfs/dbraw/zinc/64/07/13/1041640713.db2.gz DYKBBLFPAUTIAT-KRWDZBQOSA-N 0 0 322.374 4.454 20 10 DICDRN Cc1coc(COC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1 ZINC001133463689 1041650135 /nfs/dbraw/zinc/65/01/35/1041650135.db2.gz QZPIFDBTNSZGAE-UHFFFAOYSA-N 0 0 309.365 4.353 20 10 DICDRN Cc1ccc(C)n1-c1ccc(NC2(C3CCOCC3)CC2)cc1 ZINC001167743849 1041675940 /nfs/dbraw/zinc/67/59/40/1041675940.db2.gz QSFYODDYLPQYBU-UHFFFAOYSA-N 0 0 310.441 4.465 20 10 DICDRN CCN(CC)C[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756536363 1041696484 /nfs/dbraw/zinc/69/64/84/1041696484.db2.gz VDQVMTVCEZIEQT-QWRGUYRKSA-N 0 0 319.276 4.080 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)c1cc[nH]c1C1CCC1 ZINC000813481081 1041712790 /nfs/dbraw/zinc/71/27/90/1041712790.db2.gz TZNOSOHRTWHTLF-UHFFFAOYSA-N 0 0 312.413 4.040 20 10 DICDRN Cc1ccc(/C=C/C(=O)N2CCC[C@H](C)c3ccccc32)cn1 ZINC001267924901 1041727631 /nfs/dbraw/zinc/72/76/31/1041727631.db2.gz GIWLKEZLDMZYMR-RUMSDORHSA-N 0 0 306.409 4.334 20 10 DICDRN O=C(Nc1cccc(N2CCCC2)c1)c1cc(F)ccc1Cl ZINC000814311427 1041804744 /nfs/dbraw/zinc/80/47/44/1041804744.db2.gz QXXZVJSFDDSTIH-UHFFFAOYSA-N 0 0 318.779 4.332 20 10 DICDRN CO[C@H](C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-])C(C)C ZINC000756624957 1041809376 /nfs/dbraw/zinc/80/93/76/1041809376.db2.gz IAEIKPAETFQQJN-BXKDBHETSA-N 0 0 306.233 4.021 20 10 DICDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)N1CCO[C@@H]2C[C@@H]21 ZINC000814484435 1041825168 /nfs/dbraw/zinc/82/51/68/1041825168.db2.gz FSQWGFUXKBTLLL-DLBZAZTESA-N 0 0 322.368 4.107 20 10 DICDRN CCS[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756644185 1041830380 /nfs/dbraw/zinc/83/03/80/1041830380.db2.gz ZDPWNBPRLXHKFK-VCTAVGKDSA-N 0 0 315.429 4.385 20 10 DICDRN CN(Cc1cscn1)c1ccc(OCc2ccccc2)cc1 ZINC000781963633 1041865114 /nfs/dbraw/zinc/86/51/14/1041865114.db2.gz MLTKMPYEUJKRME-UHFFFAOYSA-N 0 0 310.422 4.359 20 10 DICDRN CCCC[C@@H](C(=O)NCc1ccc(N(C)C)cc1C)C(C)C ZINC001126004669 1041868297 /nfs/dbraw/zinc/86/82/97/1041868297.db2.gz IVWZANVWDSKDSQ-GOSISDBHSA-N 0 0 304.478 4.140 20 10 DICDRN C[C@@H](Nc1cncc(-c2cccs2)n1)c1ccc(N(C)C)cc1 ZINC000814877054 1041882213 /nfs/dbraw/zinc/88/22/13/1041882213.db2.gz NVWPFDOXQNISHG-CYBMUJFWSA-N 0 0 324.453 4.444 20 10 DICDRN COc1ccc(N(C)Cc2ccc(C(C)C)nc2C)c(OC)c1 ZINC000815076754 1041910833 /nfs/dbraw/zinc/91/08/33/1041910833.db2.gz WWFYCBQJXBQHHC-UHFFFAOYSA-N 0 0 314.429 4.167 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1sccc1F ZINC000815071051 1041911410 /nfs/dbraw/zinc/91/14/10/1041911410.db2.gz MGSLDFZQPPUYSL-UHFFFAOYSA-N 0 0 320.433 4.004 20 10 DICDRN Oc1ccc(Cl)c(F)c1CNc1ccc([C@@H]2CCOC2)cc1 ZINC000815153473 1041921595 /nfs/dbraw/zinc/92/15/95/1041921595.db2.gz CUPKYUACJPWTFL-GFCCVEGCSA-N 0 0 321.779 4.301 20 10 DICDRN CO[C@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])C(C)(C)C ZINC000815585510 1041967186 /nfs/dbraw/zinc/96/71/86/1041967186.db2.gz JTKMKARDCOLYNY-GXFFZTMASA-N 0 0 319.367 4.123 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)Cc1ccncc1)c1cccc(C(F)(F)F)c1[O-] ZINC000815586731 1041967921 /nfs/dbraw/zinc/96/79/21/1041967921.db2.gz PKVVQRPCULWBQC-NWDGAFQWSA-N 0 0 324.346 4.088 20 10 DICDRN Cc1cc(C)c([C@H](C)Nc2cccc(N3CCCC3=O)c2)c(O)c1 ZINC000815602286 1041971277 /nfs/dbraw/zinc/97/12/77/1041971277.db2.gz VIYSSYHSEMRISU-HNNXBMFYSA-N 0 0 324.424 4.309 20 10 DICDRN Cc1c(N[C@H](C)c2c(C)cc(C)cc2O)cnn1CC(C)C ZINC000815609986 1041973840 /nfs/dbraw/zinc/97/38/40/1041973840.db2.gz YMMBNRGWCUXWKH-CQSZACIVSA-N 0 0 301.434 4.343 20 10 DICDRN CC[C@H](N[C@@H](C)c1cccc(C(F)(F)F)c1O)C(F)(F)F ZINC000815619541 1041975591 /nfs/dbraw/zinc/97/55/91/1041975591.db2.gz QIMGAPBJVVKSMK-XVKPBYJWSA-N 0 0 315.257 4.403 20 10 DICDRN C[C@@H](N[C@H](C)C(F)(F)F)c1cccc(C(F)(F)F)c1O ZINC000815626499 1041977580 /nfs/dbraw/zinc/97/75/80/1041977580.db2.gz FTQWCPKIJOFTQQ-RNFRBKRXSA-N 0 0 301.230 4.012 20 10 DICDRN C[C@H]([NH2+]CC1CC(F)(F)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815628110 1041978655 /nfs/dbraw/zinc/97/86/55/1041978655.db2.gz RMGOUXPSSFUGFU-QMMMGPOBSA-N 0 0 309.278 4.107 20 10 DICDRN Cc1cc(C)c([C@@H](C)Nc2ccn(CCC(C)C)n2)c(O)c1 ZINC000815608015 1041979384 /nfs/dbraw/zinc/97/93/84/1041979384.db2.gz ONOLFFVNPWERPZ-OAHLLOKOSA-N 0 0 301.434 4.425 20 10 DICDRN CC[C@@H]([NH2+]Cc1c(F)cc(F)cc1F)c1ccc(F)cc1[O-] ZINC000815650498 1041985423 /nfs/dbraw/zinc/98/54/23/1041985423.db2.gz SMFPBGBUTCZTEE-OAHLLOKOSA-N 0 0 313.294 4.190 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1ccccc1C ZINC001135341604 1042013829 /nfs/dbraw/zinc/01/38/29/1042013829.db2.gz DBMBHCZMLNDFSM-UHFFFAOYSA-N 0 0 324.449 4.394 20 10 DICDRN C/C=C(/CC)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC001625905080 1042024562 /nfs/dbraw/zinc/02/45/62/1042024562.db2.gz GRZBKXWYGPULQO-INGKJJEOSA-N 0 0 314.473 4.428 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1cccnc1 ZINC001135405263 1042026430 /nfs/dbraw/zinc/02/64/30/1042026430.db2.gz JABDVWAPPSKEHE-UHFFFAOYSA-N 0 0 305.381 4.050 20 10 DICDRN Oc1cc(F)c(Cl)cc1CNc1cccc(-c2cc[nH]n2)c1 ZINC000816479104 1042056595 /nfs/dbraw/zinc/05/65/95/1042056595.db2.gz CAPYVYWDHMQLHR-UHFFFAOYSA-N 0 0 317.751 4.187 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccccc1Cl ZINC000816529784 1042061499 /nfs/dbraw/zinc/06/14/99/1042061499.db2.gz HNWNHLRDTBPJGC-UHFFFAOYSA-N 0 0 300.160 4.128 20 10 DICDRN Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc(Cl)c(F)cc2[O-])n1 ZINC000816512718 1042061610 /nfs/dbraw/zinc/06/16/10/1042061610.db2.gz RPFAMPKIAKCMRU-MRXNPFEDSA-N 0 0 320.795 4.225 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000816545119 1042062902 /nfs/dbraw/zinc/06/29/02/1042062902.db2.gz FFVMPKSPBZPUGK-UHFFFAOYSA-N 0 0 318.150 4.267 20 10 DICDRN CSc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816539780 1042063103 /nfs/dbraw/zinc/06/31/03/1042063103.db2.gz SJOZBMMJLXOHFO-UHFFFAOYSA-N 0 0 311.809 4.196 20 10 DICDRN CCCOc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816536488 1042063150 /nfs/dbraw/zinc/06/31/50/1042063150.db2.gz ZDQYXCDULYTSMA-UHFFFAOYSA-N 0 0 323.795 4.263 20 10 DICDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1c(F)cccc1F ZINC000816536536 1042063290 /nfs/dbraw/zinc/06/32/90/1042063290.db2.gz BVKYCPTWXFBFAU-MRVPVSSYSA-N 0 0 315.722 4.314 20 10 DICDRN CC(C)Oc1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])c1 ZINC000816535792 1042063428 /nfs/dbraw/zinc/06/34/28/1042063428.db2.gz AEBXMFQKYCBIGR-UHFFFAOYSA-N 0 0 323.795 4.262 20 10 DICDRN CC(C)([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccc(F)cc1 ZINC000816546202 1042063654 /nfs/dbraw/zinc/06/36/54/1042063654.db2.gz BBJBEXHLSBPAFN-UHFFFAOYSA-N 0 0 311.759 4.349 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCCOc2ccccc21 ZINC000816545510 1042063738 /nfs/dbraw/zinc/06/37/38/1042063738.db2.gz SZLPCRHYVTWXND-HNNXBMFYSA-N 0 0 321.779 4.188 20 10 DICDRN Cc1ccc2c(c1)[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])CC2 ZINC000816548194 1042064776 /nfs/dbraw/zinc/06/47/76/1042064776.db2.gz ZCGOOIMKWLOWGA-MRXNPFEDSA-N 0 0 305.780 4.270 20 10 DICDRN COCCOc1cccc(NCc2ccc3ccccc3c2O)c1 ZINC000816523121 1042065099 /nfs/dbraw/zinc/06/50/99/1042065099.db2.gz DDVJZHLPONOCTB-UHFFFAOYSA-N 0 0 323.392 4.183 20 10 DICDRN CC(=O)N(C)c1ccc(NCc2ccc3ccccc3c2O)cc1 ZINC000816524331 1042065885 /nfs/dbraw/zinc/06/58/85/1042065885.db2.gz AVLJQNZTVHRQII-UHFFFAOYSA-N 0 0 320.392 4.140 20 10 DICDRN CC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccc(OC)cc1 ZINC000816528906 1042066270 /nfs/dbraw/zinc/06/62/70/1042066270.db2.gz XDENOEHPACPBKH-INIZCTEOSA-N 0 0 323.795 4.434 20 10 DICDRN Cc1ccc2c(c1C)OC[C@@H]2[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816528324 1042066633 /nfs/dbraw/zinc/06/66/33/1042066633.db2.gz XASPETIPOQCJCI-HNNXBMFYSA-N 0 0 321.779 4.025 20 10 DICDRN CC(C)CCn1ccc(NCc2cc(Cl)c(F)cc2O)n1 ZINC000816558209 1042067198 /nfs/dbraw/zinc/06/71/98/1042067198.db2.gz QPVXQAQAVMQJCQ-UHFFFAOYSA-N 0 0 311.788 4.039 20 10 DICDRN C[C@H](CCCC(F)(F)F)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816591648 1042067312 /nfs/dbraw/zinc/06/73/12/1042067312.db2.gz KFTZROJKCOQLFR-MRVPVSSYSA-N 0 0 313.722 4.395 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CSc2ccccc21 ZINC000816552759 1042068033 /nfs/dbraw/zinc/06/80/33/1042068033.db2.gz VHMWTKNNDOTYBX-CYBMUJFWSA-N 0 0 309.793 4.121 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)CC1CC(C)(C)C1 ZINC000816593432 1042068056 /nfs/dbraw/zinc/06/80/56/1042068056.db2.gz RRRATJXCKIZMKP-UHFFFAOYSA-N 0 0 303.446 4.347 20 10 DICDRN Oc1cc(F)c(Cl)cc1CNc1ccc2ncsc2c1 ZINC000816564104 1042068784 /nfs/dbraw/zinc/06/87/84/1042068784.db2.gz UQJODBQQQNGNTM-UHFFFAOYSA-N 0 0 308.765 4.407 20 10 DICDRN C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816569816 1042069251 /nfs/dbraw/zinc/06/92/51/1042069251.db2.gz XQQDUDUJVRSJTP-BDJLRTHQSA-N 0 0 320.795 4.163 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1cccc2cccnc21 ZINC000816562582 1042069352 /nfs/dbraw/zinc/06/93/52/1042069352.db2.gz QUBAMZKRIBUWRC-UHFFFAOYSA-N 0 0 316.763 4.023 20 10 DICDRN Oc1cc(F)c(Cl)cc1CNc1cccc2ccncc21 ZINC000816564226 1042069442 /nfs/dbraw/zinc/06/94/42/1042069442.db2.gz YIQVHUITPXPOFE-UHFFFAOYSA-N 0 0 302.736 4.345 20 10 DICDRN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])C1CCC(F)(F)CC1 ZINC000816612245 1042072683 /nfs/dbraw/zinc/07/26/83/1042072683.db2.gz KETIGKRKINZMQH-UHFFFAOYSA-N 0 0 307.743 4.194 20 10 DICDRN Cc1cc(Cl)cnc1NCc1cc(Cl)c(F)cc1O ZINC000816616791 1042072954 /nfs/dbraw/zinc/07/29/54/1042072954.db2.gz GQUCHWXFSVQIPL-UHFFFAOYSA-N 0 0 301.148 4.154 20 10 DICDRN COc1cc(NCc2ccc3ccccc3c2O)cc(OC)c1C ZINC000816620241 1042074760 /nfs/dbraw/zinc/07/47/60/1042074760.db2.gz NMFCFIHYMVPBAU-UHFFFAOYSA-N 0 0 323.392 4.483 20 10 DICDRN Cc1cc(Cl)cc(CN2CC(C)(C)[C@H]2c2ccncc2)c1O ZINC000816622227 1042075041 /nfs/dbraw/zinc/07/50/41/1042075041.db2.gz ZTAPPAOCGHWBAX-QGZVFWFLSA-N 0 0 316.832 4.332 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000816618804 1042075436 /nfs/dbraw/zinc/07/54/36/1042075436.db2.gz JDMVVGVLJIKDBE-INIZCTEOSA-N 0 0 301.817 4.329 20 10 DICDRN Cc1ccsc1C=C1SC(Nc2ccccc2C)=NC1=O ZINC000211629774 1042087895 /nfs/dbraw/zinc/08/78/95/1042087895.db2.gz YKRNQUNXJYQWAP-NTEUORMPSA-N 0 0 314.435 4.447 20 10 DICDRN CC(C)Oc1ccc(N(C)Cc2nc(-c3ccccc3)no2)cc1 ZINC000759934546 1042089520 /nfs/dbraw/zinc/08/95/20/1042089520.db2.gz XZFNJWDFDNYOFF-UHFFFAOYSA-N 0 0 323.396 4.160 20 10 DICDRN CC[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])CCO1 ZINC000817586251 1042118611 /nfs/dbraw/zinc/11/86/11/1042118611.db2.gz MZCLAPIZFTVJAU-GMTAPVOTSA-N 0 0 318.244 4.307 20 10 DICDRN CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])CCO1 ZINC000817586078 1042118796 /nfs/dbraw/zinc/11/87/96/1042118796.db2.gz LNAFWUYZCWYSFF-OUAUKWLOSA-N 0 0 318.244 4.307 20 10 DICDRN C[C@@H]([NH2+]C[C@@H]1CC12CCSCC2)c1ccc(Cl)cc1[O-] ZINC000817588615 1042119293 /nfs/dbraw/zinc/11/92/93/1042119293.db2.gz HYDXCBXHRFVFSI-NEPJUHHUSA-N 0 0 311.878 4.230 20 10 DICDRN CC(C)CCCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC001135964440 1042122062 /nfs/dbraw/zinc/12/20/62/1042122062.db2.gz AXDCKFRYIMUHGV-UHFFFAOYSA-N 0 0 316.489 4.462 20 10 DICDRN CC(C)(C)CCCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000728860060 1042123055 /nfs/dbraw/zinc/12/30/55/1042123055.db2.gz IWBBEIBQBRAIRU-UHFFFAOYSA-N 0 0 302.462 4.119 20 10 DICDRN CC[C@H](CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000728857820 1042123358 /nfs/dbraw/zinc/12/33/58/1042123358.db2.gz XDUJBTPAMGZXEJ-GOSISDBHSA-N 0 0 324.468 4.295 20 10 DICDRN Cc1oc(C2CC2)nc1C(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000817760342 1042124765 /nfs/dbraw/zinc/12/47/65/1042124765.db2.gz AOSIAWRZBPEAON-UHFFFAOYSA-N 0 0 324.380 4.188 20 10 DICDRN CC1(C)[C@H](c2ccccc2)CCN1C(=O)Nc1ccc(N)cc1 ZINC000817868316 1042127288 /nfs/dbraw/zinc/12/72/88/1042127288.db2.gz UJZCEKWZAPXQQT-KRWDZBQOSA-N 0 0 309.413 4.069 20 10 DICDRN CC(C)c1ccc([C@H](N)C[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000817953960 1042131642 /nfs/dbraw/zinc/13/16/42/1042131642.db2.gz SYSHXWYFAOAPNS-FZKQIMNGSA-N 0 0 316.420 4.005 20 10 DICDRN COc1cc(F)c(N[C@@H](C)c2ccc(C)c(C)c2O)cc1OC ZINC000756855682 1042132002 /nfs/dbraw/zinc/13/20/02/1042132002.db2.gz AHLJVOTYLVAQLG-LBPRGKRZSA-N 0 0 319.376 4.338 20 10 DICDRN CC[C@H]([NH2+]CCc1cnc(C)s1)c1cccc(Cl)c1[O-] ZINC000806149054 1042162845 /nfs/dbraw/zinc/16/28/45/1042162845.db2.gz OYJVVCNGWWPYOM-AWEZNQCLSA-N 0 0 310.850 4.094 20 10 DICDRN CCCC(=CC(=O)NCc1ccc(N2CCCC2)cc1)CCC ZINC001136189827 1042172987 /nfs/dbraw/zinc/17/29/87/1042172987.db2.gz GMINZLHCCMOILM-UHFFFAOYSA-N 0 0 314.473 4.430 20 10 DICDRN CCCCCC[C@H](CC)CN(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001167821435 1042188546 /nfs/dbraw/zinc/18/85/46/1042188546.db2.gz BIJCTSMCYOURLI-HNNXBMFYSA-N 0 0 321.461 4.095 20 10 DICDRN COc1cc(Cl)cc(CNc2cccc3ccncc32)c1O ZINC000317473543 1042228108 /nfs/dbraw/zinc/22/81/08/1042228108.db2.gz CTRQYJGLYYAMLI-UHFFFAOYSA-N 0 0 314.772 4.215 20 10 DICDRN COc1ccc(N(Cc2coc(C)n2)Cc2ccccc2)cc1 ZINC000821392386 1042250250 /nfs/dbraw/zinc/25/02/50/1042250250.db2.gz ZAIWXALXJYTPOH-UHFFFAOYSA-N 0 0 308.381 4.198 20 10 DICDRN C[C@@H](NC(=O)c1sccc1C(F)F)c1ccc(N(C)C)cc1 ZINC000822083247 1042274503 /nfs/dbraw/zinc/27/45/03/1042274503.db2.gz UYFQTQLNUYYUOR-SNVBAGLBSA-N 0 0 324.396 4.243 20 10 DICDRN Oc1cccc2c1CN(Cc1c(Cl)cccc1Cl)CC2 ZINC001203422688 1042300949 /nfs/dbraw/zinc/30/09/49/1042300949.db2.gz BAEFKBWWWCARHP-UHFFFAOYSA-N 0 0 308.208 4.257 20 10 DICDRN CC(C)c1cccc(C(=O)NCCCSc2nccs2)c1 ZINC001136661569 1042311175 /nfs/dbraw/zinc/31/11/75/1042311175.db2.gz JFWXGKZIABIJSY-UHFFFAOYSA-N 0 0 320.483 4.179 20 10 DICDRN CCCCC[C@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000236650801 1042370403 /nfs/dbraw/zinc/37/04/03/1042370403.db2.gz FLUQNZKTIMGHDJ-IBGZPJMESA-N 0 0 310.441 4.249 20 10 DICDRN COc1ccc(CN[C@@H](c2nccs2)c2ccccc2)cc1C ZINC000237359797 1042377017 /nfs/dbraw/zinc/37/70/17/1042377017.db2.gz QUKLUATVQXMGBY-GOSISDBHSA-N 0 0 324.449 4.339 20 10 DICDRN Cc1cccc(C2(C(=O)Nc3ccc(N)cc3)CCCCC2)c1 ZINC000237927995 1042380833 /nfs/dbraw/zinc/38/08/33/1042380833.db2.gz OXKUFZVJFYEIPC-UHFFFAOYSA-N 0 0 308.425 4.418 20 10 DICDRN O=C(CSc1nccs1)Nc1cccc2ccccc21 ZINC000047239107 1042455793 /nfs/dbraw/zinc/45/57/93/1042455793.db2.gz ANILCXDISXLQDT-UHFFFAOYSA-N 0 0 300.408 4.027 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)CCc1ccccc1C ZINC000728966785 1042500057 /nfs/dbraw/zinc/50/00/57/1042500057.db2.gz FKYMARRTTFJNLU-UHFFFAOYSA-N 0 0 311.425 4.072 20 10 DICDRN CC[C@@H](CC(=O)N(CC)Cc1ccc(N(C)C)cc1)C(C)C ZINC000729345419 1042522105 /nfs/dbraw/zinc/52/21/05/1042522105.db2.gz XPKSEPNMVRTXGB-KRWDZBQOSA-N 0 0 304.478 4.173 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1cnccc1C ZINC000729404621 1042526602 /nfs/dbraw/zinc/52/66/02/1042526602.db2.gz IASHNLBYBJAOCF-UHFFFAOYSA-N 0 0 319.408 4.358 20 10 DICDRN C[C@H](CC(=O)N(C)Cc1ccccc1O)c1c[nH]c2ccccc21 ZINC000280040251 1042561871 /nfs/dbraw/zinc/56/18/71/1042561871.db2.gz ZMEXKMXMEYGKQZ-CQSZACIVSA-N 0 0 322.408 4.026 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H](C)c1nc(C)cs1)c1ccc(C)cc1O ZINC000280095433 1042563392 /nfs/dbraw/zinc/56/33/92/1042563392.db2.gz MSGKIRSWJFWWDB-IUODEOHRSA-N 0 0 304.459 4.310 20 10 DICDRN CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1O ZINC000271703326 1042666512 /nfs/dbraw/zinc/66/65/12/1042666512.db2.gz MXSHOCPBZYXDNZ-HNNXBMFYSA-N 0 0 320.776 4.195 20 10 DICDRN CC1=CC[C@](C)(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC001269588979 1042724597 /nfs/dbraw/zinc/72/45/97/1042724597.db2.gz VVLLWXHDHGMREU-BEFAXECRSA-N 0 0 300.446 4.066 20 10 DICDRN CCC[C@@H]1CCC[C@H]1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001269587108 1042724749 /nfs/dbraw/zinc/72/47/49/1042724749.db2.gz BRDAINBNCAHIMT-QGPMSJSTSA-N 0 0 302.462 4.146 20 10 DICDRN CC(C)c1ccc(/C=C2\SC(=S)N(C3CC3)C2=O)cc1 ZINC000048392388 1042841126 /nfs/dbraw/zinc/84/11/26/1042841126.db2.gz GWUHGPPSUCXSNO-ZROIWOOFSA-N 0 0 303.452 4.174 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000712636655 1042887478 /nfs/dbraw/zinc/88/74/78/1042887478.db2.gz AKHRFIAKUUQFIC-MFKMUULPSA-N 0 0 300.229 4.225 20 10 DICDRN c1ccc(COCCCOc2ccc(N3CCCC3)cc2)cc1 ZINC000758764823 1042952050 /nfs/dbraw/zinc/95/20/50/1042952050.db2.gz VYGNQBIRNDMLMK-UHFFFAOYSA-N 0 0 311.425 4.273 20 10 DICDRN CN(C)c1ccc(NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000237146934 1042986610 /nfs/dbraw/zinc/98/66/10/1042986610.db2.gz ZUBLATJPIKZBPY-UHFFFAOYSA-N 0 0 309.457 4.355 20 10 DICDRN CCNC(=O)c1cccc(N[C@@H](CC)c2ccc(C)cc2O)c1 ZINC000794812611 1043059008 /nfs/dbraw/zinc/05/90/08/1043059008.db2.gz MTPQKIGIYOIOPD-KRWDZBQOSA-N 0 0 312.413 4.014 20 10 DICDRN CC[C@@H](Nc1ccc(OC)cc1OC)c1ccc(C)cc1O ZINC000794816368 1043060773 /nfs/dbraw/zinc/06/07/73/1043060773.db2.gz KGPDIKNBUHCIIA-OAHLLOKOSA-N 0 0 301.386 4.281 20 10 DICDRN CC[C@H](Nc1cccc(OCCOC)c1)c1ccc(C)cc1O ZINC000794818568 1043062595 /nfs/dbraw/zinc/06/25/95/1043062595.db2.gz UZGADYYYCJPHIA-SFHVURJKSA-N 0 0 315.413 4.289 20 10 DICDRN CC[C@@H](Nc1ccc(C[NH+](C)C)c(F)c1)c1ccc(C)cc1O ZINC000794818646 1043063830 /nfs/dbraw/zinc/06/38/30/1043063830.db2.gz RZBSUMUJCPZDSW-GOSISDBHSA-N 0 0 316.420 4.465 20 10 DICDRN CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccc(C)cc1O ZINC000794818729 1043064711 /nfs/dbraw/zinc/06/47/11/1043064711.db2.gz YKMOTBTVLGIVNQ-MRXNPFEDSA-N 0 0 314.385 4.158 20 10 DICDRN C[C@H]([NH2+]Cc1ccc2ncccc2c1)c1cc(F)cc(F)c1[O-] ZINC000794829868 1043067720 /nfs/dbraw/zinc/06/77/20/1043067720.db2.gz RZYJQJHHYFQADC-NSHDSACASA-N 0 0 314.335 4.069 20 10 DICDRN CCC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@@H](O)c1ccccc1 ZINC000794834062 1043072141 /nfs/dbraw/zinc/07/21/41/1043072141.db2.gz WWDQFFALOKTPTN-IXDGSTSKSA-N 0 0 317.404 4.084 20 10 DICDRN CC[C@H](NC(=S)N[C@H](C)c1ccccc1O)c1cccs1 ZINC000865269702 1043074543 /nfs/dbraw/zinc/07/45/43/1043074543.db2.gz XCDSTOFFZIBFDE-YPMHNXCESA-N 0 0 320.483 4.130 20 10 DICDRN Cc1ccc(N2C(=O)/C(=C\c3ccsc3)SC2=S)cc1 ZINC000007165962 1043085348 /nfs/dbraw/zinc/08/53/48/1043085348.db2.gz CMJCBHIDAFDOGV-MDWZMJQESA-N 0 0 317.460 4.462 20 10 DICDRN Cc1cc(CN(Cc2ccccc2O)[C@@H](C)c2ccccc2)no1 ZINC000176686636 1043098465 /nfs/dbraw/zinc/09/84/65/1043098465.db2.gz UCBBEQQWGOITEK-INIZCTEOSA-N 0 0 322.408 4.452 20 10 DICDRN COc1cccc(CNc2ccc(F)cc2C(C)(F)F)c1O ZINC000865828013 1043137374 /nfs/dbraw/zinc/13/73/74/1043137374.db2.gz HLYRWSCGEOHOAH-UHFFFAOYSA-N 0 0 311.303 4.264 20 10 DICDRN C[C@@H](Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccccc1O ZINC000183660224 1043168233 /nfs/dbraw/zinc/16/82/33/1043168233.db2.gz BBZILPSJJQHPQS-PBHICJAKSA-N 0 0 313.397 4.123 20 10 DICDRN C[C@@H](c1ccccn1)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000183678485 1043168264 /nfs/dbraw/zinc/16/82/64/1043168264.db2.gz LYWYNVJCUZJTIH-JTQLQIEISA-N 0 0 311.212 4.287 20 10 DICDRN COCCOc1c(Cl)cccc1N[C@H](C)c1ccccc1O ZINC000183664609 1043168896 /nfs/dbraw/zinc/16/88/96/1043168896.db2.gz OCGHZTXLCXTGHA-GFCCVEGCSA-N 0 0 321.804 4.244 20 10 DICDRN CCN1C(=O)CCc2cc(N[C@H](C)c3cc(C)ccc3O)ccc21 ZINC000183914905 1043175101 /nfs/dbraw/zinc/17/51/01/1043175101.db2.gz YUQKGWJQHIESHV-CQSZACIVSA-N 0 0 324.424 4.173 20 10 DICDRN COc1ccc(Cl)cc1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185205870 1043195817 /nfs/dbraw/zinc/19/58/17/1043195817.db2.gz FXKFHDJIMFECKU-SNVBAGLBSA-N 0 0 309.768 4.044 20 10 DICDRN Cc1ccc([C@H](C)N[C@@H](C)c2noc(-c3ccccc3)n2)c(O)c1 ZINC000185767425 1043206130 /nfs/dbraw/zinc/20/61/30/1043206130.db2.gz BCOJLLQXBIQLNB-KBPBESRZSA-N 0 0 323.396 4.162 20 10 DICDRN CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])c1cccnc1 ZINC000185660980 1043206895 /nfs/dbraw/zinc/20/68/95/1043206895.db2.gz PGSMVPMOUARHQT-GUYCJALGSA-N 0 0 302.393 4.017 20 10 DICDRN COCc1cc(N[C@@H](C)c2ccc(C)c(C)c2O)ccc1OC ZINC000866499132 1043211183 /nfs/dbraw/zinc/21/11/83/1043211183.db2.gz HYZZBMMPXWSLKZ-AWEZNQCLSA-N 0 0 315.413 4.337 20 10 DICDRN COCc1cc(N[C@H](C)c2cc(C)ccc2O)ccc1OC ZINC000866500294 1043212353 /nfs/dbraw/zinc/21/23/53/1043212353.db2.gz UMXXONBITKKANS-CYBMUJFWSA-N 0 0 301.386 4.029 20 10 DICDRN COc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1Cl ZINC000186120360 1043215378 /nfs/dbraw/zinc/21/53/78/1043215378.db2.gz DOJJJPZSVIRPAO-JTQLQIEISA-N 0 0 309.768 4.044 20 10 DICDRN COc1ccc(O)c([C@H](C)Nc2ccc(COC(C)C)cc2)c1 ZINC000186289203 1043218877 /nfs/dbraw/zinc/21/88/77/1043218877.db2.gz BBPNMEQPIRTQGZ-AWEZNQCLSA-N 0 0 315.413 4.499 20 10 DICDRN CC[C@H]([NH2+]C[C@H]1CCC12CCOCC2)c1cccc(Cl)c1[O-] ZINC000866532023 1043218963 /nfs/dbraw/zinc/21/89/63/1043218963.db2.gz UQHZWBRHADBMFK-CJNGLKHVSA-N 0 0 323.864 4.293 20 10 DICDRN CC(=O)Nc1ccc(N[C@H](C)c2cc3c(cc2O)CCCC3)cc1 ZINC000186380052 1043223040 /nfs/dbraw/zinc/22/30/40/1043223040.db2.gz QRHPJCRUFZBHBN-CYBMUJFWSA-N 0 0 324.424 4.403 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCCOc2c(F)cccc21)c1ccc(F)cc1[O-] ZINC000186506605 1043224747 /nfs/dbraw/zinc/22/47/47/1043224747.db2.gz AJMBCKPXJPZLSU-BDJLRTHQSA-N 0 0 319.351 4.235 20 10 DICDRN C[C@@H](N[C@@H](CF)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000866597227 1043230900 /nfs/dbraw/zinc/23/09/00/1043230900.db2.gz ZPRBWYLUBLYKAK-ACJLOTCBSA-N 0 0 304.384 4.253 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000866610539 1043234833 /nfs/dbraw/zinc/23/48/33/1043234833.db2.gz UZVYPWMSBOMKTE-XTWCZFFVSA-N 0 0 321.289 4.218 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)c1cc2cnccc2o1)c1ccc(F)cc1[O-] ZINC000866621682 1043238216 /nfs/dbraw/zinc/23/82/16/1043238216.db2.gz UETLGUDBNVPFMP-NHYWBVRUSA-N 0 0 314.360 4.474 20 10 DICDRN CCOc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])c1 ZINC000187678355 1043248343 /nfs/dbraw/zinc/24/83/43/1043248343.db2.gz NJPPQAFPDAYKCV-RYUDHWBXSA-N 0 0 321.367 4.481 20 10 DICDRN C[C@H]([NH2+][C@H]1CCCOc2ccccc21)c1ccc(F)c(F)c1[O-] ZINC000187685427 1043249403 /nfs/dbraw/zinc/24/94/03/1043249403.db2.gz DMVKJHZFFASKRL-NHYWBVRUSA-N 0 0 319.351 4.235 20 10 DICDRN CCOc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])c1 ZINC000187678376 1043249592 /nfs/dbraw/zinc/24/95/92/1043249592.db2.gz NJPPQAFPDAYKCV-VXGBXAGGSA-N 0 0 321.367 4.481 20 10 DICDRN Cc1cc([C@H](C)NC(=O)N[C@H](C)c2ccccc2O)c(C)s1 ZINC000868038276 1043271491 /nfs/dbraw/zinc/27/14/91/1043271491.db2.gz OYEDTMRMSUKYCZ-NEPJUHHUSA-N 0 0 318.442 4.192 20 10 DICDRN C[C@H]([NH2+]C1CCSCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192979739 1043277969 /nfs/dbraw/zinc/27/79/69/1043277969.db2.gz IHCQXLKAISRJAF-QMMMGPOBSA-N 0 0 306.258 4.245 20 10 DICDRN C[C@@H]([NH2+]C1CCSCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192979752 1043278686 /nfs/dbraw/zinc/27/86/86/1043278686.db2.gz IHCQXLKAISRJAF-MRVPVSSYSA-N 0 0 306.258 4.245 20 10 DICDRN COc1ccc(O)c([C@@H](C)Nc2cnn(C3CCCC3)c2C)c1 ZINC000193389639 1043284992 /nfs/dbraw/zinc/28/49/92/1043284992.db2.gz ZLFWJZTVDULRMK-GFCCVEGCSA-N 0 0 315.417 4.194 20 10 DICDRN COc1cc(N[C@@H]2CCc3cccc(O)c32)c(OC)cc1Cl ZINC000320102485 1043286003 /nfs/dbraw/zinc/28/60/03/1043286003.db2.gz MDHWHVKOHMNEEW-GFCCVEGCSA-N 0 0 319.788 4.162 20 10 DICDRN CN1CCCc2cc(NCc3c(O)cccc3Cl)ccc21 ZINC000777492244 1043290087 /nfs/dbraw/zinc/29/00/87/1043290087.db2.gz CNHCHEONRCLPPW-UHFFFAOYSA-N 0 0 302.805 4.040 20 10 DICDRN COC[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccc(Cl)cc1 ZINC000194254174 1043291068 /nfs/dbraw/zinc/29/10/68/1043291068.db2.gz OSMNIWWJYDNETD-BZNIZROVSA-N 0 0 323.795 4.223 20 10 DICDRN COc1ccc(N2CCC(Nc3ccc(F)c(F)c3)CC2)cc1 ZINC000777276028 1043292544 /nfs/dbraw/zinc/29/25/44/1043292544.db2.gz ZCAYYUKKIZTUGX-UHFFFAOYSA-N 0 0 318.367 4.054 20 10 DICDRN Cc1c(NCc2cccc(Cl)c2O)cnn1C1CCCC1 ZINC000195031969 1043297182 /nfs/dbraw/zinc/29/71/82/1043297182.db2.gz FWDLIKXLJRSDOE-UHFFFAOYSA-N 0 0 305.809 4.278 20 10 DICDRN COc1cc2c(cc1NCc1ccnc(C)n1)oc1ccccc12 ZINC000795049672 1043301166 /nfs/dbraw/zinc/30/11/66/1043301166.db2.gz ASYKADVLWKDVRN-UHFFFAOYSA-N 0 0 319.364 4.305 20 10 DICDRN C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cc(F)cc(F)c1 ZINC000122450271 1043305561 /nfs/dbraw/zinc/30/55/61/1043305561.db2.gz ZDXKISXNRQVAEA-LLVKDONJSA-N 0 0 308.347 4.021 20 10 DICDRN Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cc(F)ccc1F ZINC000122671847 1043320195 /nfs/dbraw/zinc/32/01/95/1043320195.db2.gz DGCUAZRVXABUFZ-CYBMUJFWSA-N 0 0 304.384 4.190 20 10 DICDRN CCOc1cccc(CNc2ccccc2OC(C)C)c1O ZINC000122671158 1043320443 /nfs/dbraw/zinc/32/04/43/1043320443.db2.gz VFIITPWHXBZSDB-UHFFFAOYSA-N 0 0 301.386 4.190 20 10 DICDRN COc1ccc(O)c([C@@H](C)Nc2nc3cccc(C)c3s2)c1 ZINC000795087946 1043322851 /nfs/dbraw/zinc/32/28/51/1043322851.db2.gz XOQCKEXBFYUHIN-LLVKDONJSA-N 0 0 314.410 4.492 20 10 DICDRN Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1Cc2cccc(O)c2C1 ZINC000871203648 1043366817 /nfs/dbraw/zinc/36/68/17/1043366817.db2.gz DLGSQSMQCQOYQV-GDBMZVCRSA-N 0 0 321.420 4.224 20 10 DICDRN CC(C)[C@](C)(Cc1ccccc1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871207926 1043369282 /nfs/dbraw/zinc/36/92/82/1043369282.db2.gz UWAOBCLXEUCJQM-NRFANRHFSA-N 0 0 323.436 4.139 20 10 DICDRN Cc1ccc(C)c(NC(=O)CNc2ccccc2NC(C)C)c1 ZINC000871846804 1043404494 /nfs/dbraw/zinc/40/44/94/1043404494.db2.gz BGEXBSVBSZJETI-UHFFFAOYSA-N 0 0 311.429 4.174 20 10 DICDRN CC(C)Nc1ccccc1NCc1noc(Cc2ccccc2)n1 ZINC000871845777 1043405348 /nfs/dbraw/zinc/40/53/48/1043405348.db2.gz JQRZXKZMEJYJNJ-UHFFFAOYSA-N 0 0 322.412 4.093 20 10 DICDRN Cc1ccc(NC(=O)CNc2ccccc2NC(C)C)c(C)c1 ZINC000871847094 1043405615 /nfs/dbraw/zinc/40/56/15/1043405615.db2.gz JVLUYEYDUOVDGI-UHFFFAOYSA-N 0 0 311.429 4.174 20 10 DICDRN CCCOc1ccc(C[NH2+][C@@H](CCC(C)(C)C)C(=O)[O-])cc1C ZINC000871878941 1043413021 /nfs/dbraw/zinc/41/30/21/1043413021.db2.gz WQWAZPRFBDNKGR-INIZCTEOSA-N 0 0 321.461 4.153 20 10 DICDRN Cc1cc(Cl)cc([C@@H](C)NCc2ncc(Cl)s2)c1O ZINC000872114375 1043465301 /nfs/dbraw/zinc/46/53/01/1043465301.db2.gz YAGQBFKDINHRJO-MRVPVSSYSA-N 0 0 317.241 4.315 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)Cc1ccc(Cl)s1 ZINC000283258408 1043468035 /nfs/dbraw/zinc/46/80/35/1043468035.db2.gz QSKULWFOXQICKM-UHFFFAOYSA-N 0 0 323.845 4.088 20 10 DICDRN CCn1ncc(N[C@@H](C)c2cccc(C(F)(F)F)c2O)c1C ZINC000872139702 1043478182 /nfs/dbraw/zinc/47/81/82/1043478182.db2.gz NYHDLWXRUAENPY-VIFPVBQESA-N 0 0 313.323 4.109 20 10 DICDRN Cc1cc(C(=O)N2C3CCC2CC3)c(C)n1-c1cccc(C)c1 ZINC000872875017 1043511761 /nfs/dbraw/zinc/51/17/61/1043511761.db2.gz ATGUBUXEZBKJSU-UHFFFAOYSA-N 0 0 308.425 4.170 20 10 DICDRN CCCOc1ccc(CNCc2cc(C(C)C)no2)cc1C ZINC000873049902 1043513578 /nfs/dbraw/zinc/51/35/78/1043513578.db2.gz IDDDLXMEMZINRL-UHFFFAOYSA-N 0 0 302.418 4.185 20 10 DICDRN CCCOc1ccc(CNCc2nc(C3CC3)cs2)cc1C ZINC000873079379 1043517197 /nfs/dbraw/zinc/51/71/97/1043517197.db2.gz FGHYFQJZBFFJQF-UHFFFAOYSA-N 0 0 316.470 4.408 20 10 DICDRN COc1cc(Br)cc(NCc2cccc(C)c2O)c1 ZINC000124636125 1043559620 /nfs/dbraw/zinc/55/96/20/1043559620.db2.gz GNWAJFCUYXIURG-UHFFFAOYSA-N 0 0 322.202 4.084 20 10 DICDRN CCCC1(C(=O)NCc2ccc(N3CCCCC3)cc2)CCC1 ZINC000759172447 1043563697 /nfs/dbraw/zinc/56/36/97/1043563697.db2.gz UIQGFTMYEHMMMU-UHFFFAOYSA-N 0 0 314.473 4.264 20 10 DICDRN C[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001299788528 1043568779 /nfs/dbraw/zinc/56/87/79/1043568779.db2.gz SSUYTJNUMFXTBQ-APWZRJJASA-N 0 0 314.473 4.119 20 10 DICDRN COc1ccc([C@H](C)[NH2+][C@H](C)c2c([O-])cccc2F)cc1C ZINC000926903092 1043652881 /nfs/dbraw/zinc/65/28/81/1043652881.db2.gz QYJWCRUKYAWDPF-QWHCGFSZSA-N 0 0 303.377 4.260 20 10 DICDRN COc1ccc(O)c([C@@H](C)Nc2ccc(OC)c(Cl)c2)c1 ZINC000021507265 1043665796 /nfs/dbraw/zinc/66/57/96/1043665796.db2.gz MIDRYFVYPGKTNQ-SNVBAGLBSA-N 0 0 307.777 4.236 20 10 DICDRN CC[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCOC1)c1cccc(Cl)c1[O-] ZINC000927068921 1043681460 /nfs/dbraw/zinc/68/14/60/1043681460.db2.gz JSSFWWXNQOMBQK-RRQGHBQHSA-N 0 0 323.864 4.292 20 10 DICDRN CCCC(=O)Nc1cccc(NCc2ccc(C)cc2O)c1C ZINC000876824226 1043715986 /nfs/dbraw/zinc/71/59/86/1043715986.db2.gz YDRXAPVUPBENPL-UHFFFAOYSA-N 0 0 312.413 4.360 20 10 DICDRN CC(C)Oc1ccccc1[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000876937589 1043726854 /nfs/dbraw/zinc/72/68/54/1043726854.db2.gz ZDLAPRPLSKHIMH-GFCCVEGCSA-N 0 0 321.367 4.308 20 10 DICDRN CN(C(=O)c1ccccc1NC1CCCCC1)c1ccc(N)cc1 ZINC000877075483 1043739586 /nfs/dbraw/zinc/73/95/86/1043739586.db2.gz DEWPDUYPBYLGSK-UHFFFAOYSA-N 0 0 323.440 4.290 20 10 DICDRN CCSc1cccc(C[NH2+]Cc2ccc(F)c(F)c2[O-])c1 ZINC000877546077 1043772445 /nfs/dbraw/zinc/77/24/45/1043772445.db2.gz GYJRIMPYYMSJGK-UHFFFAOYSA-N 0 0 309.381 4.072 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000877760876 1043795224 /nfs/dbraw/zinc/79/52/24/1043795224.db2.gz NAUMVIUMKJRVKY-ZYHUDNBSSA-N 0 0 305.727 4.032 20 10 DICDRN O=C(C[C@@H]1C=CCCC1)NCc1ccc(N2CCCCC2)cc1 ZINC000777785144 1043819620 /nfs/dbraw/zinc/81/96/20/1043819620.db2.gz UFWCNOBDZHJMSF-QGZVFWFLSA-N 0 0 312.457 4.040 20 10 DICDRN CCc1cccc(CC)c1NC(=O)N[C@H](C)c1ccccc1O ZINC000877951130 1043830999 /nfs/dbraw/zinc/83/09/99/1043830999.db2.gz RNUCYJCJURSGQX-CYBMUJFWSA-N 0 0 312.413 4.400 20 10 DICDRN Cc1cc(C)nc(CN(Cc2ccco2)Cc2ccccc2O)c1 ZINC000929970662 1043862935 /nfs/dbraw/zinc/86/29/35/1043862935.db2.gz KHQTUHNSWXLCCH-UHFFFAOYSA-N 0 0 322.408 4.199 20 10 DICDRN CC(C)Oc1ccc(NC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000878278698 1043867671 /nfs/dbraw/zinc/86/76/71/1043867671.db2.gz WCNSSEQYTVDOFI-ZDUSSCGKSA-N 0 0 314.385 4.062 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)CC(C)(C)CC(F)F ZINC000878598191 1043906209 /nfs/dbraw/zinc/90/62/09/1043906209.db2.gz ZKKCNVYQTMIKBF-UHFFFAOYSA-N 0 0 313.388 4.202 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC001275534254 1043935847 /nfs/dbraw/zinc/93/58/47/1043935847.db2.gz MFVJGZBYCHJCAL-NZSAHSFTSA-N 0 0 308.425 4.013 20 10 DICDRN Oc1cc(Cl)ccc1CN(CC1CCC1)CC(F)(F)F ZINC001308581918 1043971931 /nfs/dbraw/zinc/97/19/31/1043971931.db2.gz LJFPJXCNYKSVBH-UHFFFAOYSA-N 0 0 307.743 4.210 20 10 DICDRN COCCCCc1cccnc1NCc1cccc(Cl)c1O ZINC000291048915 1044014524 /nfs/dbraw/zinc/01/45/24/1044014524.db2.gz HXBPUZVTCDFGMY-UHFFFAOYSA-N 0 0 320.820 4.022 20 10 DICDRN CC[C@@H]([NH2+]C[C@H]1C[C@H](OC)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000883272931 1044257097 /nfs/dbraw/zinc/25/70/97/1044257097.db2.gz ZUMAQSSWYDGYCE-GIPNMCIBSA-N 0 0 318.244 4.165 20 10 DICDRN CC1(C)C[N@H+](Cc2cccc(Cl)c2[O-])[C@@H]1c1ccncc1 ZINC000294049149 1044370814 /nfs/dbraw/zinc/37/08/14/1044370814.db2.gz WYDQIFKHLFXLJR-MRXNPFEDSA-N 0 0 302.805 4.024 20 10 DICDRN CCCCC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000040112381 1044395389 /nfs/dbraw/zinc/39/53/89/1044395389.db2.gz OBPQGODBAXVNQX-UHFFFAOYSA-N 0 0 314.429 4.065 20 10 DICDRN CC[C@H](Nc1cccc(NC(=O)C2CC2)c1)c1ccccc1O ZINC000192906097 1044400786 /nfs/dbraw/zinc/40/07/86/1044400786.db2.gz CHIZURHTCPARDS-KRWDZBQOSA-N 0 0 310.397 4.304 20 10 DICDRN C/C=C(/C)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000800048999 1044407795 /nfs/dbraw/zinc/40/77/95/1044407795.db2.gz KACKAFJFFPSVEY-TYBUVKLMSA-N 0 0 320.864 4.159 20 10 DICDRN COc1ccc(O)c(CNc2cc(C(C)C)nc(C(C)C)n2)c1 ZINC000301869941 1044428056 /nfs/dbraw/zinc/42/80/56/1044428056.db2.gz OUHNLDMDWKTXJG-UHFFFAOYSA-N 0 0 315.417 4.050 20 10 DICDRN C[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1Cl ZINC000759578299 1044474633 /nfs/dbraw/zinc/47/46/33/1044474633.db2.gz HBTJSARIDVALPX-DVBBHNHCSA-N 0 0 318.756 4.069 20 10 DICDRN C[C@H](Nc1ccc([C@@H]2CCOC2)cc1)c1cc(F)ccc1O ZINC000295089103 1044489573 /nfs/dbraw/zinc/48/95/73/1044489573.db2.gz USEOWJBQPYNMFQ-GXTWGEPZSA-N 0 0 301.361 4.208 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)c1cnc(C(C)C)s1 ZINC000119609215 1044495827 /nfs/dbraw/zinc/49/58/27/1044495827.db2.gz CPMHKMHDYAKSFX-UHFFFAOYSA-N 0 0 318.442 4.025 20 10 DICDRN COc1ccc(CN[C@H](c2nccs2)c2ccccc2)cc1C ZINC000237312448 1044519031 /nfs/dbraw/zinc/51/90/31/1044519031.db2.gz QUKLUATVQXMGBY-SFHVURJKSA-N 0 0 324.449 4.339 20 10 DICDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CC[C@H](C)C2)c1 ZINC001137209045 1044523224 /nfs/dbraw/zinc/52/32/24/1044523224.db2.gz SGNUYZRJHREUAV-LBPRGKRZSA-N 0 0 316.832 4.230 20 10 DICDRN CCSCC[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000135296901 1044544308 /nfs/dbraw/zinc/54/43/08/1044544308.db2.gz MIWXEBVIWRMOIO-SECBINFHSA-N 0 0 308.274 4.320 20 10 DICDRN CCSCC[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000135296919 1044545687 /nfs/dbraw/zinc/54/56/87/1044545687.db2.gz MIWXEBVIWRMOIO-VIFPVBQESA-N 0 0 308.274 4.320 20 10 DICDRN Cc1cnc(F)cc1N(Cc1ccccc1)c1ccc(N)cc1 ZINC001212852027 1044637894 /nfs/dbraw/zinc/63/78/94/1044637894.db2.gz VCXXOEORVLCSLA-UHFFFAOYSA-N 0 0 307.372 4.450 20 10 DICDRN COc1ccc([C@@H](C)[NH2+][C@@H](C)c2c([O-])cccc2F)cc1F ZINC000886493475 1044646856 /nfs/dbraw/zinc/64/68/56/1044646856.db2.gz NGEMMSGYFIUDKX-MNOVXSKESA-N 0 0 307.340 4.091 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1ccc(OC)cc1 ZINC000886491426 1044646975 /nfs/dbraw/zinc/64/69/75/1044646975.db2.gz DFHLZWBNLCOAFZ-LRDDRELGSA-N 0 0 303.377 4.342 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCSc2ccccc21)c1c([O-])cccc1F ZINC000886502649 1044648328 /nfs/dbraw/zinc/64/83/28/1044648328.db2.gz JGRNVZGLFWCYMF-BXUZGUMPSA-N 0 0 303.402 4.419 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCCOc2ccc(F)cc21)c1c([O-])cccc1F ZINC000886514319 1044651927 /nfs/dbraw/zinc/65/19/27/1044651927.db2.gz MUNQJOMSJKZEIE-XHDPSFHLSA-N 0 0 319.351 4.235 20 10 DICDRN C[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCCO1)c1c([O-])cccc1F ZINC000886517461 1044652477 /nfs/dbraw/zinc/65/24/77/1044652477.db2.gz DTXDWZRXKCZPRW-SOVGHPHASA-N 0 0 315.388 4.102 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCOc2c(Cl)cccc21)c1c([O-])cccc1F ZINC000886513950 1044652598 /nfs/dbraw/zinc/65/25/98/1044652598.db2.gz ARTGNIKUUDPTGL-QMTHXVAHSA-N 0 0 321.779 4.359 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CSCc2ccccc21)c1c([O-])cccc1F ZINC000886516638 1044652819 /nfs/dbraw/zinc/65/28/19/1044652819.db2.gz RHVMBBNLKMOCEA-IAQYHMDHSA-N 0 0 303.402 4.170 20 10 DICDRN COc1ccc(Cl)cc1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886516402 1044653101 /nfs/dbraw/zinc/65/31/01/1044653101.db2.gz HBOZAEOGKILXAZ-JTQLQIEISA-N 0 0 309.768 4.044 20 10 DICDRN Cc1cnc(F)cc1Nc1ccccc1Cc1ccc(N)cc1 ZINC001212852792 1044655151 /nfs/dbraw/zinc/65/51/51/1044655151.db2.gz KOBHERAPTOUZKD-UHFFFAOYSA-N 0 0 307.372 4.446 20 10 DICDRN Cc1cnc(F)cc1N(c1ccc(N)cc1)c1ccc(N)cc1 ZINC001212852987 1044657019 /nfs/dbraw/zinc/65/70/19/1044657019.db2.gz UOLBLLBXSKNVCM-UHFFFAOYSA-N 0 0 308.360 4.163 20 10 DICDRN CC(C)C(=O)Nc1cccc(N[C@H](C)c2c(O)cccc2F)c1 ZINC000886566120 1044660311 /nfs/dbraw/zinc/66/03/11/1044660311.db2.gz JJFBCXMNJAVZBT-GFCCVEGCSA-N 0 0 316.376 4.299 20 10 DICDRN C[C@@H](Nc1ccc(N2CCCC2)cc1)c1c(O)cccc1F ZINC000886564408 1044661136 /nfs/dbraw/zinc/66/11/36/1044661136.db2.gz VZQIFRXBDBHPSU-CYBMUJFWSA-N 0 0 300.377 4.305 20 10 DICDRN CCCCCn1cc(C[NH2+][C@@H](C)c2c([O-])cccc2F)c(C)n1 ZINC000886560082 1044661354 /nfs/dbraw/zinc/66/13/54/1044661354.db2.gz MVXONJWZFPZCKF-AWEZNQCLSA-N 0 0 319.424 4.077 20 10 DICDRN Cc1csc(C2(N[C@H](C)c3c(O)cccc3F)CCC2)n1 ZINC000886570169 1044662409 /nfs/dbraw/zinc/66/24/09/1044662409.db2.gz BHPUQIZCCQZGLU-LLVKDONJSA-N 0 0 306.406 4.026 20 10 DICDRN CC(=O)Nc1c(C)ccc(N[C@@H](C)c2c(O)cccc2F)c1C ZINC000886568495 1044662772 /nfs/dbraw/zinc/66/27/72/1044662772.db2.gz LRWXXNQSSOOJKB-LBPRGKRZSA-N 0 0 316.376 4.280 20 10 DICDRN C[C@@H]([NH2+][C@H]1CCCOc2c(F)cccc21)c1c([O-])cccc1F ZINC000886586389 1044664845 /nfs/dbraw/zinc/66/48/45/1044664845.db2.gz QNAPVLHMPIGRBX-ABAIWWIYSA-N 0 0 319.351 4.235 20 10 DICDRN Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886592061 1044666725 /nfs/dbraw/zinc/66/67/25/1044666725.db2.gz JQPVWLRFPCNUGP-YPMHNXCESA-N 0 0 319.424 4.203 20 10 DICDRN Cc1c(N[C@@H](C)c2c(O)cccc2F)cnn1C1CCCC1 ZINC000886600735 1044667044 /nfs/dbraw/zinc/66/70/44/1044667044.db2.gz ACYLHQBORIBZKA-NSHDSACASA-N 0 0 303.381 4.324 20 10 DICDRN CSCc1cccc(C[NH2+][C@H](C)c2c([O-])cccc2F)c1 ZINC000886597175 1044667055 /nfs/dbraw/zinc/66/70/55/1044667055.db2.gz YGVCFHYKBSIUIZ-GFCCVEGCSA-N 0 0 305.418 4.245 20 10 DICDRN CSc1cccc(F)c1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886608804 1044669099 /nfs/dbraw/zinc/66/90/99/1044669099.db2.gz GEGNWQLTPTUVAK-SNVBAGLBSA-N 0 0 309.381 4.243 20 10 DICDRN C[C@@H]([NH2+][C@H]1CCCN(C)c2ccccc21)c1c([O-])cccc1F ZINC000886621994 1044669875 /nfs/dbraw/zinc/66/98/75/1044669875.db2.gz HSLBJONYKPPEOE-CJNGLKHVSA-N 0 0 314.404 4.153 20 10 DICDRN COc1ccc(N(C)Cc2nc(C3CCCC3)no2)cc1Cl ZINC000155511953 1044702813 /nfs/dbraw/zinc/70/28/13/1044702813.db2.gz RMVSJDUYGHCELR-UHFFFAOYSA-N 0 0 321.808 4.026 20 10 DICDRN Cc1cccc(NCc2cc(F)ccc2O)c1Br ZINC000221276319 1044721918 /nfs/dbraw/zinc/72/19/18/1044721918.db2.gz LMEJTXGUBLZENE-UHFFFAOYSA-N 0 0 310.166 4.214 20 10 DICDRN Cc1ccc(-c2cccc(C=C3SC(=S)NC3=O)c2)cc1 ZINC000221294437 1044727363 /nfs/dbraw/zinc/72/73/63/1044727363.db2.gz OSDIDVJBVGVDSJ-XNTDXEJSSA-N 0 0 311.431 4.151 20 10 DICDRN CCc1onc(C)c1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000089397295 1044734956 /nfs/dbraw/zinc/73/49/56/1044734956.db2.gz JWAHPSPPVQFEJF-UHFFFAOYSA-N 0 0 323.396 4.205 20 10 DICDRN CC[C@@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1ccc(F)cc1[O-] ZINC000367639471 1044751203 /nfs/dbraw/zinc/75/12/03/1044751203.db2.gz VNXSPJCYLYPFBC-HZPDHXFCSA-N 0 0 319.351 4.235 20 10 DICDRN Cc1cc(C(=O)N2CC[C@H](C)[C@@H]2C)c(C)n1-c1ccccc1C ZINC001137244481 1044785935 /nfs/dbraw/zinc/78/59/35/1044785935.db2.gz RSMSYKVQOKDGLH-BBRMVZONSA-N 0 0 310.441 4.273 20 10 DICDRN c1sc(C2CC2)nc1COc1ccc(N2CCCC2)cc1 ZINC000153433756 1045056856 /nfs/dbraw/zinc/05/68/56/1045056856.db2.gz JZTRJPXVYKRNAC-UHFFFAOYSA-N 0 0 300.427 4.200 20 10 DICDRN C[C@H](NC(=O)c1cscc1C(F)F)c1ccc(N(C)C)cc1 ZINC000890031247 1045099786 /nfs/dbraw/zinc/09/97/86/1045099786.db2.gz SGTDOFMYVRDAOT-JTQLQIEISA-N 0 0 324.396 4.243 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)CCCSC(C)(C)C ZINC000159100766 1045105200 /nfs/dbraw/zinc/10/52/00/1045105200.db2.gz YQERZPDEHFEBDP-UHFFFAOYSA-N 0 0 323.502 4.443 20 10 DICDRN CN(Cc1cc(F)ccc1O)[C@@H](c1ccccc1)C(F)(F)F ZINC000779010865 1045127634 /nfs/dbraw/zinc/12/76/34/1045127634.db2.gz YABNCBQFPFITPI-HNNXBMFYSA-N 0 0 313.294 4.267 20 10 DICDRN CCC[C@@H](NCc1ccc2c(c1)CCO2)c1ncccc1Cl ZINC000924900207 1045209440 /nfs/dbraw/zinc/20/94/40/1045209440.db2.gz LCFPIPPNDMTODY-MRXNPFEDSA-N 0 0 316.832 4.301 20 10 DICDRN C[C@H]([NH2+]Cc1ccc(Cl)cc1F)c1cc(F)cc(F)c1[O-] ZINC000779054057 1045217297 /nfs/dbraw/zinc/21/72/97/1045217297.db2.gz QGOMFQOSSORRLN-QMMMGPOBSA-N 0 0 315.722 4.314 20 10 DICDRN C[C@@H](Nc1cnn([C@H](C)C2CC2)c1)c1cc(F)cc(F)c1O ZINC000779058659 1045224281 /nfs/dbraw/zinc/22/42/81/1045224281.db2.gz GQTBSWVOISBRSE-NXEZZACHSA-N 0 0 307.344 4.011 20 10 DICDRN C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccc(Cl)c(Cl)c1[O-] ZINC000779077751 1045252249 /nfs/dbraw/zinc/25/22/49/1045252249.db2.gz BIQURIVETJZHMJ-VHSXEESVSA-N 0 0 318.244 4.307 20 10 DICDRN Cc1ccc(NCc2cccc(Br)c2O)c(C)c1 ZINC000048787964 1045274245 /nfs/dbraw/zinc/27/42/45/1045274245.db2.gz YGRFBVXWISLPRY-UHFFFAOYSA-N 0 0 306.203 4.384 20 10 DICDRN CC(C)Cn1ncc(NCc2cc(F)ccc2O)c1C(C)C ZINC000779106333 1045283031 /nfs/dbraw/zinc/28/30/31/1045283031.db2.gz ITTZYEKLGXOTFM-UHFFFAOYSA-N 0 0 305.397 4.119 20 10 DICDRN Cc1cccc(CNc2cnn(CC(C)C)c2C(F)F)c1O ZINC000779142310 1045317870 /nfs/dbraw/zinc/31/78/70/1045317870.db2.gz RYKZBQPCZOZYAR-UHFFFAOYSA-N 0 0 309.360 4.103 20 10 DICDRN C[C@@H](C1CC1)n1cc(NCc2ccc(N3CCCCC3)cc2)cn1 ZINC000189259972 1045344783 /nfs/dbraw/zinc/34/47/83/1045344783.db2.gz YNAFLAOHCZNGKI-INIZCTEOSA-N 0 0 324.472 4.457 20 10 DICDRN Cc1c(N[C@H](C)c2ccc(N(C)C)cc2)cnn1-c1ccccc1 ZINC000779173440 1045349773 /nfs/dbraw/zinc/34/97/73/1045349773.db2.gz AYZWRRRNVQWPTN-OAHLLOKOSA-N 0 0 320.440 4.420 20 10 DICDRN CC(=O)c1cc(F)cc(C[NH2+][C@@H](c2cccs2)C2CC2)c1O ZINC000779196765 1045367968 /nfs/dbraw/zinc/36/79/68/1045367968.db2.gz WARPDWTWLBLTKC-MRXNPFEDSA-N 0 0 319.401 4.036 20 10 DICDRN Nc1ccc(NC(=O)NCCCCc2ccc(Cl)s2)cc1 ZINC000841298776 1045476471 /nfs/dbraw/zinc/47/64/71/1045476471.db2.gz GAFJVSKHHIPRSP-UHFFFAOYSA-N 0 0 323.849 4.128 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000529643150 1045505826 /nfs/dbraw/zinc/50/58/26/1045505826.db2.gz JKTDVKJUZAQLKU-INIZCTEOSA-N 0 0 320.795 4.211 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000529644558 1045506006 /nfs/dbraw/zinc/50/60/06/1045506006.db2.gz OTVIEMXBHFRYJW-MRXNPFEDSA-N 0 0 302.805 4.072 20 10 DICDRN COc1ccc(N(CCCCCCO)Cc2cccs2)cc1 ZINC000750609976 1045538108 /nfs/dbraw/zinc/53/81/08/1045538108.db2.gz ZKKXOWJZYTUJPC-UHFFFAOYSA-N 0 0 319.470 4.316 20 10 DICDRN Cn1c(-c2ccccc2)cnc1SCc1cccnc1Cl ZINC000750825685 1045560420 /nfs/dbraw/zinc/56/04/20/1045560420.db2.gz WAAKMLWAQOPZPK-UHFFFAOYSA-N 0 0 315.829 4.428 20 10 DICDRN Cc1cc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])c(C)o1 ZINC000114505064 1045565672 /nfs/dbraw/zinc/56/56/72/1045565672.db2.gz UMEDAFCWJDBHRF-UHFFFAOYSA-N 0 0 300.185 4.199 20 10 DICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000800276601 1045601636 /nfs/dbraw/zinc/60/16/36/1045601636.db2.gz MPKXGPVSJONJHQ-VIFPVBQESA-N 0 0 307.743 4.100 20 10 DICDRN O=C1Nc2ccc(F)cc2/C1=C/c1ccc(N2CCCCC2)cc1 ZINC000751543346 1045613601 /nfs/dbraw/zinc/61/36/01/1045613601.db2.gz NJFCEOJXEOXPEN-PDGQHHTCSA-N 0 0 322.383 4.309 20 10 DICDRN O=C(NCc1ccccc1O)N[C@H](CC1CCC1)c1ccccc1 ZINC000779340946 1045615452 /nfs/dbraw/zinc/61/54/52/1045615452.db2.gz FJAYNTLKUJYEAR-GOSISDBHSA-N 0 0 324.424 4.123 20 10 DICDRN CCSCCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000800492528 1045630829 /nfs/dbraw/zinc/63/08/29/1045630829.db2.gz KGMQHSDPSURQLP-VIFPVBQESA-N 0 0 308.274 4.493 20 10 DICDRN C[C@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1ccc(F)cc1[O-] ZINC000800496386 1045633032 /nfs/dbraw/zinc/63/30/32/1045633032.db2.gz UZTITROTAUJHFZ-ZUZCIYMTSA-N 0 0 305.780 4.003 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC1CCC(F)(F)CC1 ZINC000800536029 1045639273 /nfs/dbraw/zinc/63/92/73/1045639273.db2.gz LDHTZLXQYYQTHZ-UHFFFAOYSA-N 0 0 307.743 4.100 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)[C@H](C)c2cccs2)cc1 ZINC000078080184 1045644947 /nfs/dbraw/zinc/64/49/47/1045644947.db2.gz SVYGPXVACTTYIK-CQSZACIVSA-N 0 0 316.470 4.014 20 10 DICDRN CCN(CCCCC(F)(F)F)c1ccc(OC)c(OC)c1 ZINC000752007606 1045650008 /nfs/dbraw/zinc/65/00/08/1045650008.db2.gz MFVPRFKMXOWZHN-UHFFFAOYSA-N 0 0 305.340 4.263 20 10 DICDRN Cc1cc(CC(=O)N(C)c2ccccc2)c(C)n1-c1ccccc1 ZINC001124336011 1045655724 /nfs/dbraw/zinc/65/57/24/1045655724.db2.gz AGFCEOOAUDSKFX-UHFFFAOYSA-N 0 0 318.420 4.300 20 10 DICDRN CC1=C(C(=O)N(Cc2ccco2)Cc2ccccc2O)CCC1 ZINC000752089514 1045658743 /nfs/dbraw/zinc/65/87/43/1045658743.db2.gz YCKUTUPPQONQIH-UHFFFAOYSA-N 0 0 311.381 4.014 20 10 DICDRN Cc1ccccc1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000078345587 1045681035 /nfs/dbraw/zinc/68/10/35/1045681035.db2.gz YYUHGCHOGARKQL-UHFFFAOYSA-N 0 0 321.376 4.136 20 10 DICDRN CCSc1ccccc1C(=O)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000752486010 1045682598 /nfs/dbraw/zinc/68/25/98/1045682598.db2.gz BSNBUHGPAHROIS-GOEBONIOSA-N 0 0 321.511 4.299 20 10 DICDRN CCN(C(=O)/C=C/c1cccnc1)c1ccc(C(F)(F)F)cc1 ZINC000801076281 1045688023 /nfs/dbraw/zinc/68/80/23/1045688023.db2.gz ZNTLIFHPDJUJEP-BJMVGYQFSA-N 0 0 320.314 4.167 20 10 DICDRN CC(C)(C)OC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000752854567 1045708816 /nfs/dbraw/zinc/70/88/16/1045708816.db2.gz JKOGFYIBIADOEL-UHFFFAOYSA-N 0 0 305.418 4.462 20 10 DICDRN CC(C)(C)OCc1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000752824671 1045709308 /nfs/dbraw/zinc/70/93/08/1045709308.db2.gz WDDMACYSEITQBB-UHFFFAOYSA-N 0 0 305.399 4.021 20 10 DICDRN CC(C)c1c(NCc2ccccc2O)cnn1-c1ccccc1 ZINC000752938242 1045715977 /nfs/dbraw/zinc/71/59/77/1045715977.db2.gz ARVNFVVNHUMQDI-UHFFFAOYSA-N 0 0 307.397 4.313 20 10 DICDRN CCc1ccc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)cc1 ZINC001124549730 1045720093 /nfs/dbraw/zinc/72/00/93/1045720093.db2.gz OKDQDVXQJJRENX-UHFFFAOYSA-N 0 0 322.452 4.121 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1ccoc1C1CC1 ZINC000801545991 1045735038 /nfs/dbraw/zinc/73/50/38/1045735038.db2.gz GZLCEEUMSVLMBI-UHFFFAOYSA-N 0 0 313.397 4.305 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)/C=C/c1cccs1 ZINC000801548290 1045735483 /nfs/dbraw/zinc/73/54/83/1045735483.db2.gz RFQNFJVXBOCGHI-ZHACJKMWSA-N 0 0 315.438 4.296 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)C[C@@H]1CC[C@H](C)C1 ZINC000801546584 1045735608 /nfs/dbraw/zinc/73/56/08/1045735608.db2.gz VRJYTGAGGNMFBN-JKSUJKDBSA-N 0 0 303.446 4.347 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)Cc1ccccc1C ZINC000801545562 1045735705 /nfs/dbraw/zinc/73/57/05/1045735705.db2.gz BLDOOLUNWBQYPG-UHFFFAOYSA-N 0 0 311.425 4.072 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1cccc(Cl)c1 ZINC000801550703 1045736808 /nfs/dbraw/zinc/73/68/08/1045736808.db2.gz BUBGTUPKLJWDPY-UHFFFAOYSA-N 0 0 317.816 4.488 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(F)cc1F ZINC000801548695 1045737471 /nfs/dbraw/zinc/73/74/71/1045737471.db2.gz MKRZZJZPLJPIDO-UHFFFAOYSA-N 0 0 319.351 4.113 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)C1CCCC1 ZINC000801550396 1045737862 /nfs/dbraw/zinc/73/78/62/1045737862.db2.gz YSLVYLRVRXQBST-HNNXBMFYSA-N 0 0 303.446 4.347 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)CCC1CCCC1 ZINC000801549596 1045737957 /nfs/dbraw/zinc/73/79/57/1045737957.db2.gz SAZCRTRQUOKQAO-UHFFFAOYSA-N 0 0 303.446 4.491 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1ccoc1Cl ZINC000801551234 1045738145 /nfs/dbraw/zinc/73/81/45/1045738145.db2.gz JVTPHCIBNMMHBO-UHFFFAOYSA-N 0 0 307.777 4.081 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)/C=C\c1ccccc1 ZINC000801548917 1045738414 /nfs/dbraw/zinc/73/84/14/1045738414.db2.gz WTFXGZAJGRJSOS-YPKPFQOOSA-N 0 0 309.409 4.234 20 10 DICDRN C[C@@H]1CCCC[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001124836280 1045776747 /nfs/dbraw/zinc/77/67/47/1045776747.db2.gz UCFMDUZHBUXFHP-DNVCBOLYSA-N 0 0 314.473 4.070 20 10 DICDRN COc1cccc(N(CC(C)C)C(=O)/C=C\c2cnccc2C)c1 ZINC001124885381 1045791098 /nfs/dbraw/zinc/79/10/98/1045791098.db2.gz PYOIAVDUJCATJG-HJWRWDBZSA-N 0 0 324.424 4.101 20 10 DICDRN COc1cccc(N(CC(C)C)C(=O)/C=C/c2cnccc2C)c1 ZINC001124885380 1045791658 /nfs/dbraw/zinc/79/16/58/1045791658.db2.gz PYOIAVDUJCATJG-CMDGGOBGSA-N 0 0 324.424 4.101 20 10 DICDRN CC[C@@H]1CCC[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001124905324 1045795696 /nfs/dbraw/zinc/79/56/96/1045795696.db2.gz GASIQSJWJZEHJE-APWZRJJASA-N 0 0 314.473 4.070 20 10 DICDRN CCCC[C@@H](CCC)CNC(=O)N(C)Cc1ccccc1O ZINC000753947901 1045823520 /nfs/dbraw/zinc/82/35/20/1045823520.db2.gz SPOLQWXGFMJODB-OAHLLOKOSA-N 0 0 306.450 4.140 20 10 DICDRN c1cc(N2CCCCC2)ccc1CNc1ccc2c(c1)OCCO2 ZINC000079121402 1045847900 /nfs/dbraw/zinc/84/79/00/1045847900.db2.gz GFWMCRRXVOFZJQ-UHFFFAOYSA-N 0 0 324.424 4.060 20 10 DICDRN Cc1ccc(/C=C/C(=O)N2CC3(CCC3)c3c2cccc3F)cn1 ZINC000754217770 1045861947 /nfs/dbraw/zinc/86/19/47/1045861947.db2.gz YQIBQYFSQZQKKK-CMDGGOBGSA-N 0 0 322.383 4.011 20 10 DICDRN O=C(Nc1cccc(N2CCCC2)c1)c1ccccc1C(F)F ZINC001125189021 1045869279 /nfs/dbraw/zinc/86/92/79/1045869279.db2.gz YREYJKVVNKEQPZ-UHFFFAOYSA-N 0 0 316.351 4.477 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)NCCC1CCCC1 ZINC000801984504 1045870352 /nfs/dbraw/zinc/87/03/52/1045870352.db2.gz JIQBTRCETHVTKA-UHFFFAOYSA-N 0 0 318.461 4.284 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H](CC)CCC ZINC000802054611 1045881554 /nfs/dbraw/zinc/88/15/54/1045881554.db2.gz JNJXLSCPMFNJDM-MRXNPFEDSA-N 0 0 306.450 4.283 20 10 DICDRN CCOc1ccc(N(CC)Cc2nnc(C(C)C)s2)cc1 ZINC000828194656 1045895581 /nfs/dbraw/zinc/89/55/81/1045895581.db2.gz PLQODPJTHHMNEO-UHFFFAOYSA-N 0 0 305.447 4.087 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)NCC(CC)CC ZINC000802184355 1045916403 /nfs/dbraw/zinc/91/64/03/1045916403.db2.gz YQXATYTYQQDCKA-UHFFFAOYSA-N 0 0 306.450 4.140 20 10 DICDRN Oc1ccc(NCc2ccc(-c3ccnc(F)c3)c(F)c2)cc1 ZINC001168141959 1045920440 /nfs/dbraw/zinc/92/04/40/1045920440.db2.gz WLOGMUIMJYJNAS-UHFFFAOYSA-N 0 0 312.319 4.345 20 10 DICDRN O=C1/C(=C\c2ccccc2)SC(=S)N1Cc1cccs1 ZINC000192692121 1045923029 /nfs/dbraw/zinc/92/30/29/1045923029.db2.gz XLYTYPHUQKJINU-UKTHLTGXSA-N 0 0 317.460 4.150 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCC[C@H]1CC ZINC000802237181 1045928141 /nfs/dbraw/zinc/92/81/41/1045928141.db2.gz ZQILUWVVPZJEQB-WBVHZDCISA-N 0 0 318.461 4.283 20 10 DICDRN COc1ccc(OC(F)F)c(N[C@@H](C)c2ccc(C)cc2O)c1 ZINC000192764262 1045931560 /nfs/dbraw/zinc/93/15/60/1045931560.db2.gz BCDTZSYVKGVTQA-NSHDSACASA-N 0 0 323.339 4.484 20 10 DICDRN COc1ccc(O)c([C@H](C)Nc2ccc(C)c3ncccc23)c1 ZINC000192820440 1045939704 /nfs/dbraw/zinc/93/97/04/1045939704.db2.gz ZZURBMJVMJDDKO-ZDUSSCGKSA-N 0 0 308.381 4.431 20 10 DICDRN CCOc1ccc(OCC)c(N[C@H](C)c2ccccc2O)c1 ZINC000192868899 1045946994 /nfs/dbraw/zinc/94/69/94/1045946994.db2.gz MRGVQQDRZGJACP-CYBMUJFWSA-N 0 0 301.386 4.363 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CC[C@H](C)C1 ZINC000802309889 1045952000 /nfs/dbraw/zinc/95/20/00/1045952000.db2.gz HXHGQCNCWDVAEM-HOTGVXAUSA-N 0 0 318.461 4.140 20 10 DICDRN Oc1cccc(F)c1CN(Cc1ccccc1)Cc1ccccn1 ZINC001137832016 1045977056 /nfs/dbraw/zinc/97/70/56/1045977056.db2.gz XCEBAQVGEJCZSF-UHFFFAOYSA-N 0 0 322.383 4.129 20 10 DICDRN Oc1cccc(F)c1CN(Cc1ccccc1)Cc1ccncc1 ZINC001137832034 1045978361 /nfs/dbraw/zinc/97/83/61/1045978361.db2.gz XURNQUPLUIMQIG-UHFFFAOYSA-N 0 0 322.383 4.129 20 10 DICDRN CCN(Cc1c(O)cccc1F)Cc1c(F)cccc1Cl ZINC001137840267 1045979866 /nfs/dbraw/zinc/97/98/66/1045979866.db2.gz VAFPCRQTUHBPCW-UHFFFAOYSA-N 0 0 311.759 4.346 20 10 DICDRN Oc1cccc(F)c1CN1CCC[C@H]1c1cc(F)ccc1F ZINC001137837327 1045981166 /nfs/dbraw/zinc/98/11/66/1045981166.db2.gz BLELFGGIQYTHAA-INIZCTEOSA-N 0 0 307.315 4.147 20 10 DICDRN Cc1cc(C(=O)CSC2CCC2)c(C)n1-c1ccc(F)cn1 ZINC000829736961 1046005359 /nfs/dbraw/zinc/00/53/59/1046005359.db2.gz SBTIKEBUUDJRAE-UHFFFAOYSA-N 0 0 318.417 4.097 20 10 DICDRN COc1ccc(N(C)Cc2nc(C(C)(C)C)cs2)cc1OC ZINC000755911423 1046027125 /nfs/dbraw/zinc/02/71/25/1046027125.db2.gz YKAOKDUIIOFSOA-UHFFFAOYSA-N 0 0 320.458 4.094 20 10 DICDRN Oc1cccc(Cl)c1CNc1ccc(-c2ccccc2)nn1 ZINC000802759306 1046042445 /nfs/dbraw/zinc/04/24/45/1046042445.db2.gz IPZSXMHSFLXGIK-UHFFFAOYSA-N 0 0 311.772 4.115 20 10 DICDRN CC[C@H](C)[C@H](C)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000779753828 1046056604 /nfs/dbraw/zinc/05/66/04/1046056604.db2.gz FVNVWPUVSFRFPB-HOTGVXAUSA-N 0 0 304.478 4.173 20 10 DICDRN Cc1ccc(F)c(CN2CCc3cccc(O)c3C2)c1Cl ZINC001138029424 1046064911 /nfs/dbraw/zinc/06/49/11/1046064911.db2.gz UKIPSMQXXMSMPQ-UHFFFAOYSA-N 0 0 305.780 4.051 20 10 DICDRN CCCCC[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756340014 1046065017 /nfs/dbraw/zinc/06/50/17/1046065017.db2.gz GCZMQFGERFESRR-SECBINFHSA-N 0 0 304.203 4.135 20 10 DICDRN C[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])c1ccc(F)cc1F ZINC000756354597 1046068556 /nfs/dbraw/zinc/06/85/56/1046068556.db2.gz FWKSJFDOTMTEIN-RKDXNWHRSA-N 0 0 313.294 4.360 20 10 DICDRN CC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])c1ccc(OC)cc1 ZINC000756357658 1046070076 /nfs/dbraw/zinc/07/00/76/1046070076.db2.gz OHZYTNXZDAPJJV-DIFFPNOSSA-N 0 0 321.367 4.481 20 10 DICDRN C[C@H]([NH2+]CCc1cccc(Cl)c1)c1cc(F)cc(F)c1[O-] ZINC000756357811 1046070758 /nfs/dbraw/zinc/07/07/58/1046070758.db2.gz PXTVEANOFNCDPM-JTQLQIEISA-N 0 0 311.759 4.217 20 10 DICDRN C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)c1cc(F)cc(F)c1[O-] ZINC000756366061 1046072608 /nfs/dbraw/zinc/07/26/08/1046072608.db2.gz DORDPADTUCWHHR-GTNSWQLSSA-N 0 0 303.352 4.472 20 10 DICDRN C[C@H]([NH2+]CCCCOc1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000756402500 1046076728 /nfs/dbraw/zinc/07/67/28/1046076728.db2.gz SMPMUECMKFOOQI-ZDUSSCGKSA-N 0 0 321.367 4.180 20 10 DICDRN CCOCc1ccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756399315 1046077015 /nfs/dbraw/zinc/07/70/15/1046077015.db2.gz BZDSPQIGLCTLOL-GFCCVEGCSA-N 0 0 321.367 4.058 20 10 DICDRN C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756417191 1046077708 /nfs/dbraw/zinc/07/77/08/1046077708.db2.gz KZQUFWGPSUYZDJ-LLVKDONJSA-N 0 0 321.342 4.192 20 10 DICDRN COCCOc1cc(C)ccc1N[C@H](C)c1ccc(C)cc1O ZINC000193909360 1046079768 /nfs/dbraw/zinc/07/97/68/1046079768.db2.gz FCGSDKZFPCKMQR-OAHLLOKOSA-N 0 0 315.413 4.207 20 10 DICDRN C[C@H]([NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1)c1cc(F)cc(F)c1[O-] ZINC000756433904 1046081476 /nfs/dbraw/zinc/08/14/76/1046081476.db2.gz QXQKAJQAZQWQBU-KWBADKCTSA-N 0 0 307.340 4.238 20 10 DICDRN C[C@H]([NH2+]Cc1cc2ccccc2o1)c1cc(F)cc(F)c1[O-] ZINC000756451182 1046082245 /nfs/dbraw/zinc/08/22/45/1046082245.db2.gz XAWZXJZTNLQRIU-JTQLQIEISA-N 0 0 303.308 4.267 20 10 DICDRN C[C@@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])c1cccc(F)c1 ZINC000756476863 1046085945 /nfs/dbraw/zinc/08/59/45/1046085945.db2.gz WGJYYCFDTMHDQB-WDEREUQCSA-N 0 0 309.331 4.264 20 10 DICDRN Cc1ccccc1C[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756480264 1046087853 /nfs/dbraw/zinc/08/78/53/1046087853.db2.gz UKMHHFBBKXPFSB-STQMWFEESA-N 0 0 305.368 4.261 20 10 DICDRN Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756487095 1046088719 /nfs/dbraw/zinc/08/87/19/1046088719.db2.gz IEZMYVHNTKNXCI-APPDUMDISA-N 0 0 303.352 4.317 20 10 DICDRN CC(C)CCOCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756505685 1046091728 /nfs/dbraw/zinc/09/17/28/1046091728.db2.gz WODUAUCVDYDJSD-NSHDSACASA-N 0 0 320.260 4.412 20 10 DICDRN C[C@@H]([NH2+]CCc1ccccc1Cl)c1cc(F)cc(F)c1[O-] ZINC000756505716 1046092201 /nfs/dbraw/zinc/09/22/01/1046092201.db2.gz XWOHYWJMCKTUAN-SNVBAGLBSA-N 0 0 311.759 4.217 20 10 DICDRN C[C@H]([NH2+]CCc1ccccc1Cl)c1cc(F)cc(F)c1[O-] ZINC000756505715 1046092971 /nfs/dbraw/zinc/09/29/71/1046092971.db2.gz XWOHYWJMCKTUAN-JTQLQIEISA-N 0 0 311.759 4.217 20 10 DICDRN Cc1ccc2c(CC[NH2+][C@H](C)c3ccc(F)cc3[O-])c[nH]c2c1 ZINC000756516402 1046093328 /nfs/dbraw/zinc/09/33/28/1046093328.db2.gz KWUFIDASIZTUQL-CYBMUJFWSA-N 0 0 312.388 4.214 20 10 DICDRN CC/C(C)=C(/C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000779820091 1046097432 /nfs/dbraw/zinc/09/74/32/1046097432.db2.gz FBYUBDYLNVFYBD-NXVVXOECSA-N 0 0 302.462 4.236 20 10 DICDRN C[C@@H]([NH2+]CCCc1c[nH]c2ccccc12)c1ccc(F)cc1[O-] ZINC000756557018 1046100466 /nfs/dbraw/zinc/10/04/66/1046100466.db2.gz ZKSLENMIGQTSQX-CYBMUJFWSA-N 0 0 312.388 4.296 20 10 DICDRN CCC(CC)[C@@H](O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756569863 1046100680 /nfs/dbraw/zinc/10/06/80/1046100680.db2.gz SJKLVUNQRZOZJW-ZANVPECISA-N 0 0 320.260 4.147 20 10 DICDRN Cc1cccc([C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1C ZINC000756584201 1046104278 /nfs/dbraw/zinc/10/42/78/1046104278.db2.gz GAQULOQJUBRBCS-KBPBESRZSA-N 0 0 314.385 4.329 20 10 DICDRN Cc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])s1 ZINC000756586623 1046104684 /nfs/dbraw/zinc/10/46/84/1046104684.db2.gz UEGIYBFZMUHKKZ-KOLCDFICSA-N 0 0 311.397 4.322 20 10 DICDRN C[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])Cc1cccs1 ZINC000756609730 1046109889 /nfs/dbraw/zinc/10/98/89/1046109889.db2.gz FXACHIVURJXACU-MNOVXSKESA-N 0 0 311.397 4.261 20 10 DICDRN C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756638923 1046113762 /nfs/dbraw/zinc/11/37/62/1046113762.db2.gz XFDBAORLDFAAIS-IHRRRGAJSA-N 0 0 314.385 4.143 20 10 DICDRN C[C@H]([NH2+]C1CC=CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756646745 1046116241 /nfs/dbraw/zinc/11/62/41/1046116241.db2.gz OPQRFWMBLJUAFI-QMMMGPOBSA-N 0 0 316.626 4.177 20 10 DICDRN Cc1oc(-c2ccccc2)nc1CN(C)c1ccc2c(c1)OCO2 ZINC000756654274 1046118804 /nfs/dbraw/zinc/11/88/04/1046118804.db2.gz QBNOLSUJEDQBLM-UHFFFAOYSA-N 0 0 322.364 4.015 20 10 DICDRN Cc1cccc2c1CC[C@@H]2[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756682468 1046119551 /nfs/dbraw/zinc/11/95/51/1046119551.db2.gz HFGAMUISXQULHI-DIFFPNOSSA-N 0 0 303.352 4.317 20 10 DICDRN Cc1cccc2c1CC[C@H]2[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756682473 1046120318 /nfs/dbraw/zinc/12/03/18/1046120318.db2.gz HFGAMUISXQULHI-PIGZYNQJSA-N 0 0 303.352 4.317 20 10 DICDRN Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])CC2 ZINC000756704301 1046121839 /nfs/dbraw/zinc/12/18/39/1046121839.db2.gz DVDUKHBALJSYJH-PIGZYNQJSA-N 0 0 303.352 4.317 20 10 DICDRN C[C@H]([NH2+]CCc1ccc(F)cc1Cl)c1ccc(F)cc1[O-] ZINC000756707831 1046122658 /nfs/dbraw/zinc/12/26/58/1046122658.db2.gz ZIAUWBKEIQRVQC-JTQLQIEISA-N 0 0 311.759 4.217 20 10 DICDRN C[C@H]([NH2+]C1CC(C)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000756737377 1046123765 /nfs/dbraw/zinc/12/37/65/1046123765.db2.gz UOHQHIBYWBFLLP-ZCUBBSJVSA-N 0 0 318.642 4.257 20 10 DICDRN Cc1ccc(O)c([C@H](C)NCc2c(F)c(F)cc(F)c2F)c1 ZINC000756738410 1046123923 /nfs/dbraw/zinc/12/39/23/1046123923.db2.gz GZGIBHSJLZTJNW-VIFPVBQESA-N 0 0 313.294 4.108 20 10 DICDRN C[C@H]([NH2+][C@H]1CC=CCC1)c1cc(Br)c(F)cc1[O-] ZINC000756734551 1046124031 /nfs/dbraw/zinc/12/40/31/1046124031.db2.gz XTKPPDZIDRDIDV-UWVGGRQHSA-N 0 0 314.198 4.053 20 10 DICDRN C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])Oc1ccccc1Cl ZINC000756731687 1046124173 /nfs/dbraw/zinc/12/41/73/1046124173.db2.gz HXYAVEAAQKXLGE-VXGBXAGGSA-N 0 0 323.795 4.303 20 10 DICDRN CCOc1cc(Cl)ccc1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756768162 1046130657 /nfs/dbraw/zinc/13/06/57/1046130657.db2.gz KKJWIXPFKJFQHF-NSHDSACASA-N 0 0 323.795 4.434 20 10 DICDRN CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756783342 1046133923 /nfs/dbraw/zinc/13/39/23/1046133923.db2.gz XYZCKWCRLDOBQE-IUUKEHGRSA-N 0 0 321.367 4.097 20 10 DICDRN Cc1cc(N(C)C)ccc1N[C@@H](C)c1cc(F)cc(F)c1O ZINC000756793262 1046134953 /nfs/dbraw/zinc/13/49/53/1046134953.db2.gz WVXZXVJZCMJELD-NSHDSACASA-N 0 0 306.356 4.218 20 10 DICDRN COc1ccc(N[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)c(OC)c1 ZINC000756790188 1046135287 /nfs/dbraw/zinc/13/52/87/1046135287.db2.gz MULSAPLFRYZURK-QMTHXVAHSA-N 0 0 317.360 4.209 20 10 DICDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2cccc(SC)c2)c1 ZINC000756795617 1046136862 /nfs/dbraw/zinc/13/68/62/1046136862.db2.gz LCDNBCPBONYILR-LLVKDONJSA-N 0 0 317.410 4.074 20 10 DICDRN COC(=O)c1ccc(O)c([C@H](C)Nc2cccc(SC)c2)c1 ZINC000756795619 1046137027 /nfs/dbraw/zinc/13/70/27/1046137027.db2.gz LCDNBCPBONYILR-NSHDSACASA-N 0 0 317.410 4.074 20 10 DICDRN COCc1cccc(N[C@H]2C[C@H](C)c3c2c(O)ccc3F)c1 ZINC000756802693 1046137218 /nfs/dbraw/zinc/13/72/18/1046137218.db2.gz DTRVENLCBNOPDH-NHYWBVRUSA-N 0 0 301.361 4.338 20 10 DICDRN C[C@H](Nc1ccc(N2CCCC2)cc1)c1cc(F)cc(F)c1O ZINC000756797191 1046137334 /nfs/dbraw/zinc/13/73/34/1046137334.db2.gz PBDRIBKDZLRGSY-LBPRGKRZSA-N 0 0 318.367 4.444 20 10 DICDRN COc1ccc(N[C@H]2C[C@H](C)c3c2c(O)ccc3F)cc1OC ZINC000756794605 1046137616 /nfs/dbraw/zinc/13/76/16/1046137616.db2.gz JOAWTQGJZBYQBS-GWCFXTLKSA-N 0 0 317.360 4.209 20 10 DICDRN COc1ccc(N[C@H](C)c2ccc(C)c(C)c2O)cc1OC ZINC000756795478 1046137646 /nfs/dbraw/zinc/13/76/46/1046137646.db2.gz QWJRZSLXACSKPT-CYBMUJFWSA-N 0 0 301.386 4.199 20 10 DICDRN C[C@@H](Nc1ccc(F)cc1)c1cc(Br)ccc1O ZINC000756795083 1046137692 /nfs/dbraw/zinc/13/76/92/1046137692.db2.gz GUYQQXYEVTWXGV-SECBINFHSA-N 0 0 310.166 4.467 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1ccsc1C ZINC000831413165 1046138311 /nfs/dbraw/zinc/13/83/11/1046138311.db2.gz XLZXTQLCYLQEDX-UHFFFAOYSA-N 0 0 303.427 4.205 20 10 DICDRN C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1cc(Br)c(F)cc1[O-] ZINC000756817126 1046138577 /nfs/dbraw/zinc/13/85/77/1046138577.db2.gz HOCLEOFVICNTQS-RKDXNWHRSA-N 0 0 316.214 4.133 20 10 DICDRN CC(=O)Nc1c(C)ccc(N[C@@H](C)c2ccc(F)cc2O)c1C ZINC000756813118 1046138715 /nfs/dbraw/zinc/13/87/15/1046138715.db2.gz CSTRMPXEEWSPKN-LBPRGKRZSA-N 0 0 316.376 4.280 20 10 DICDRN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)C1=CC(=O)CS1 ZINC000756808200 1046139178 /nfs/dbraw/zinc/13/91/78/1046139178.db2.gz CJUBKWGLESPBMG-SNVBAGLBSA-N 0 0 324.471 4.175 20 10 DICDRN Cn1c(-c2ccccc2)cnc1SCCCOC(C)(C)C ZINC000756811913 1046139213 /nfs/dbraw/zinc/13/92/13/1046139213.db2.gz AYUIGTYNSCLYMQ-UHFFFAOYSA-N 0 0 304.459 4.384 20 10 DICDRN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)C1=CC(=O)CS1 ZINC000756808199 1046139418 /nfs/dbraw/zinc/13/94/18/1046139418.db2.gz CJUBKWGLESPBMG-JTQLQIEISA-N 0 0 324.471 4.175 20 10 DICDRN CCN(Cc1nc2cc(F)ccc2o1)c1ccc(OC)cc1 ZINC000756809643 1046139443 /nfs/dbraw/zinc/13/94/43/1046139443.db2.gz VCUZVNBKMSXGDM-UHFFFAOYSA-N 0 0 300.333 4.002 20 10 DICDRN C[C@@H]([NH2+]C1(c2ccccc2)CCC1)c1cc(F)cc(F)c1[O-] ZINC000756818893 1046140872 /nfs/dbraw/zinc/14/08/72/1046140872.db2.gz QEKSUINSVWIWNK-GFCCVEGCSA-N 0 0 303.352 4.400 20 10 DICDRN C[C@H]([NH2+]C1(c2ccc(F)cc2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756827159 1046140980 /nfs/dbraw/zinc/14/09/80/1046140980.db2.gz PNUXARKYMHJCMD-JTQLQIEISA-N 0 0 307.315 4.149 20 10 DICDRN C[C@@H]([NH2+]C1(c2cccc(F)c2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756834061 1046142140 /nfs/dbraw/zinc/14/21/40/1046142140.db2.gz SPEXOTQULZFVLV-SNVBAGLBSA-N 0 0 307.315 4.149 20 10 DICDRN CCOCc1cccc(N[C@H](C)c2cc(F)cc(F)c2O)c1 ZINC000756851275 1046143650 /nfs/dbraw/zinc/14/36/50/1046143650.db2.gz RUMXJVSQRYEHKK-LLVKDONJSA-N 0 0 307.340 4.380 20 10 DICDRN CCCCCC(C)(C)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000084631651 1046144982 /nfs/dbraw/zinc/14/49/82/1046144982.db2.gz CYSDBZKCHRJYRO-ZDUSSCGKSA-N 0 0 307.434 4.185 20 10 DICDRN Cc1ccc([C@H](C)Nc2ccn(-c3ccccc3)n2)c(O)c1C ZINC000756865913 1046145839 /nfs/dbraw/zinc/14/58/39/1046145839.db2.gz OTNIRODHMZCZDX-HNNXBMFYSA-N 0 0 307.397 4.368 20 10 DICDRN CC(=O)Nc1ccc(N[C@@H](C)c2ccc(C)c(C)c2O)cc1C ZINC000756864305 1046145911 /nfs/dbraw/zinc/14/59/11/1046145911.db2.gz LGEMHMOGMVBOLB-AWEZNQCLSA-N 0 0 312.413 4.449 20 10 DICDRN COc1cc(N[C@H]2C[C@@H](C)c3c2c(O)ccc3F)cc(OC)c1 ZINC000756863684 1046145973 /nfs/dbraw/zinc/14/59/73/1046145973.db2.gz KAVGNXXCYFOCCB-BMIGLBTASA-N 0 0 317.360 4.209 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(C)cc1Cl ZINC000756865056 1046146136 /nfs/dbraw/zinc/14/61/36/1046146136.db2.gz YBLYKSJHAGKSMN-UHFFFAOYSA-N 0 0 317.816 4.406 20 10 DICDRN C[C@H](Nc1ccccc1OC(F)F)c1cc(F)cc(F)c1O ZINC000756870293 1046147425 /nfs/dbraw/zinc/14/74/25/1046147425.db2.gz HVYQENQBKCUZNA-QMMMGPOBSA-N 0 0 315.266 4.445 20 10 DICDRN C[C@H]1C[C@@H](Nc2ccc(N(C)C)cc2)c2c1c(F)ccc2O ZINC000756869863 1046147931 /nfs/dbraw/zinc/14/79/31/1046147931.db2.gz DQJYYAFMYCMPNH-XHDPSFHLSA-N 0 0 300.377 4.258 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000127426152 1046149189 /nfs/dbraw/zinc/14/91/89/1046149189.db2.gz SUSOMCQUTPOZSE-CQSZACIVSA-N 0 0 311.212 4.364 20 10 DICDRN CCOc1ccc(OC)cc1N[C@@H](C)c1cc(F)cc(F)c1O ZINC000757591488 1046188812 /nfs/dbraw/zinc/18/88/12/1046188812.db2.gz XOQSQVCLBYUEJO-JTQLQIEISA-N 0 0 323.339 4.251 20 10 DICDRN C[C@H](Nc1ccc2c(c1)CCCO2)c1cc(F)cc(F)c1O ZINC000757590835 1046188827 /nfs/dbraw/zinc/18/88/27/1046188827.db2.gz GSFMRSGIOYNXAA-JTQLQIEISA-N 0 0 305.324 4.169 20 10 DICDRN COc1c(F)cc(F)cc1N[C@H](C)c1ccc(C)c(C)c1O ZINC000757596338 1046189428 /nfs/dbraw/zinc/18/94/28/1046189428.db2.gz YBJYFLVMTBQGHM-LLVKDONJSA-N 0 0 307.340 4.469 20 10 DICDRN COc1c(F)cc(F)cc1N[C@@H](C)c1cc(F)cc(F)c1O ZINC000757591371 1046189440 /nfs/dbraw/zinc/18/94/40/1046189440.db2.gz FAIMPEWHAWRRIM-ZETCQYMHSA-N 0 0 315.266 4.130 20 10 DICDRN C[C@@H](Nc1ccc2c(c1)CC(C)(C)O2)c1ccc(F)cc1O ZINC000757614565 1046193605 /nfs/dbraw/zinc/19/36/05/1046193605.db2.gz OLSMANWZSMVFHP-LLVKDONJSA-N 0 0 301.361 4.418 20 10 DICDRN Cc1cc2c(cc1N[C@H]1C[C@@H](C)c3c1c(O)ccc3F)OCO2 ZINC000757639604 1046197256 /nfs/dbraw/zinc/19/72/56/1046197256.db2.gz ZZNMKVXVYHCKEG-MFKMUULPSA-N 0 0 315.344 4.229 20 10 DICDRN CSCCCCCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000757652462 1046198008 /nfs/dbraw/zinc/19/80/08/1046198008.db2.gz ABBBOFVFFMHSDT-LLVKDONJSA-N 0 0 303.418 4.244 20 10 DICDRN C[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])c1ccc2c(c1)CCO2 ZINC000903238428 1046205648 /nfs/dbraw/zinc/20/56/48/1046205648.db2.gz KIYMBXVZFMWFGK-GHMZBOCLSA-N 0 0 319.351 4.017 20 10 DICDRN C=Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000760205340 1046211041 /nfs/dbraw/zinc/21/10/41/1046211041.db2.gz SOKXRARRQPAEMT-UHFFFAOYSA-N 0 0 320.436 4.250 20 10 DICDRN CC[C@H](N[C@H]1c2ccccc2OC[C@@H]1F)c1ccc(F)cc1O ZINC000903266322 1046212948 /nfs/dbraw/zinc/21/29/48/1046212948.db2.gz OFRYMBLTSSOVGJ-MPGHIAIKSA-N 0 0 319.351 4.044 20 10 DICDRN CC[C@H](N[C@H]1c2ccccc2OC[C@H]1F)c1ccc(C)cc1O ZINC000903271062 1046216271 /nfs/dbraw/zinc/21/62/71/1046216271.db2.gz GWSCLKLDKWNSOR-GJYPPUQNSA-N 0 0 315.388 4.213 20 10 DICDRN COc1ccc(N(C)Cc2csc(-c3ccco3)n2)cc1F ZINC000757852331 1046219274 /nfs/dbraw/zinc/21/92/74/1046219274.db2.gz KMVIGHVNGLVOEK-UHFFFAOYSA-N 0 0 318.373 4.187 20 10 DICDRN CCC(=O)N1CCc2ccc(N[C@@H](C)c3ccc(C)cc3O)cc21 ZINC000903278523 1046220372 /nfs/dbraw/zinc/22/03/72/1046220372.db2.gz FJRWBBAVUKJFEM-AWEZNQCLSA-N 0 0 324.424 4.173 20 10 DICDRN CC[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000088293612 1046225375 /nfs/dbraw/zinc/22/53/75/1046225375.db2.gz IDTOZMCTGOLECP-GHMZBOCLSA-N 0 0 300.240 4.069 20 10 DICDRN CC[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000088293617 1046225646 /nfs/dbraw/zinc/22/56/46/1046225646.db2.gz IDTOZMCTGOLECP-MNOVXSKESA-N 0 0 300.240 4.069 20 10 DICDRN C[C@@H]1C[C@@H](NCc2nc(C(C)(C)C)co2)c2c1c(F)ccc2O ZINC000903313199 1046234650 /nfs/dbraw/zinc/23/46/50/1046234650.db2.gz KIVCGPYAEMERFA-ZYHUDNBSSA-N 0 0 318.392 4.155 20 10 DICDRN C[C@@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])c1cncs1 ZINC000903311888 1046235028 /nfs/dbraw/zinc/23/50/28/1046235028.db2.gz SBXPHWLEHWTVRA-RKDXNWHRSA-N 0 0 316.348 4.279 20 10 DICDRN COCCOCc1cccc(N[C@H](C)c2cc(C)ccc2O)c1 ZINC000321321091 1046268478 /nfs/dbraw/zinc/26/84/78/1046268478.db2.gz QWBNQEOXMZFJNF-OAHLLOKOSA-N 0 0 315.413 4.037 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000758724193 1046287229 /nfs/dbraw/zinc/28/72/29/1046287229.db2.gz KJNRLNXVUXZXHQ-YQQAZPJKSA-N 0 0 318.461 4.139 20 10 DICDRN CCC[C@H](NC(=O)C1=CC(=O)CS1)c1ccc(F)cc1F ZINC000759100138 1046319630 /nfs/dbraw/zinc/31/96/30/1046319630.db2.gz YVLVKSXMJGWJBJ-ZDUSSCGKSA-N 0 0 311.353 4.003 20 10 DICDRN C[C@@H]1CC[C@@H](CC(=O)NCc2ccc(N3CCCCC3)cc2)C1 ZINC000759172582 1046329453 /nfs/dbraw/zinc/32/94/53/1046329453.db2.gz WHGXWQYVBDRPSI-SJLPKXTDSA-N 0 0 314.473 4.119 20 10 DICDRN CCN(Cc1ncccc1C(F)(F)F)c1ccc(OC)cc1 ZINC000759397370 1046351452 /nfs/dbraw/zinc/35/14/52/1046351452.db2.gz JUHYMXHAOBWHQX-UHFFFAOYSA-N 0 0 310.319 4.136 20 10 DICDRN CCOc1ccc(Cl)cc1CN1CCc2cccc(O)c2C1 ZINC001139010823 1046356561 /nfs/dbraw/zinc/35/65/61/1046356561.db2.gz FQLKKIDIJQSJPW-UHFFFAOYSA-N 0 0 317.816 4.003 20 10 DICDRN O=C(NCc1ccccc1O)c1cccc(Oc2ccccc2)c1 ZINC000748354271 1046367966 /nfs/dbraw/zinc/36/79/66/1046367966.db2.gz XUYUCCQHERAHEU-UHFFFAOYSA-N 0 0 319.360 4.115 20 10 DICDRN CN(C)c1ccc(CN(C)Cc2c(F)cc(Cl)cc2F)cc1 ZINC001139052135 1046369701 /nfs/dbraw/zinc/36/97/01/1046369701.db2.gz KHMWKNGIYLIXPO-UHFFFAOYSA-N 0 0 324.802 4.316 20 10 DICDRN CC(C)(C)CCNC(=O)CSc1ncc(C(C)(C)C)s1 ZINC000759720208 1046375763 /nfs/dbraw/zinc/37/57/63/1046375763.db2.gz ZHVBKIZZRYOFDP-UHFFFAOYSA-N 0 0 314.520 4.085 20 10 DICDRN CCCCc1nc(CSc2ncc(C(C)(C)C)s2)no1 ZINC000759720217 1046376987 /nfs/dbraw/zinc/37/69/87/1046376987.db2.gz ZVLNOWHIQRUHIS-UHFFFAOYSA-N 0 0 311.476 4.459 20 10 DICDRN CCC(CC)NC(=O)[C@H](C)Sc1ncc(C(C)(C)C)s1 ZINC000759719048 1046377161 /nfs/dbraw/zinc/37/71/61/1046377161.db2.gz ROWONQLHQKBKGF-JTQLQIEISA-N 0 0 314.520 4.226 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCCC[C@H]1C ZINC001139123572 1046392938 /nfs/dbraw/zinc/39/29/38/1046392938.db2.gz IWHRBBBINWYYKY-WBVHZDCISA-N 0 0 303.446 4.347 20 10 DICDRN CCC[C@@H](C)CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000748728733 1046398942 /nfs/dbraw/zinc/39/89/42/1046398942.db2.gz WUTFKHIVEXFKNM-MRXNPFEDSA-N 0 0 302.462 4.119 20 10 DICDRN COc1ccc2c(c1)CCCN2Cc1nccc2ccccc21 ZINC000780767190 1046403282 /nfs/dbraw/zinc/40/32/82/1046403282.db2.gz QLNAGOMTNGASHF-UHFFFAOYSA-N 0 0 304.393 4.196 20 10 DICDRN CC/C(C)=C(\C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000780931655 1046412097 /nfs/dbraw/zinc/41/20/97/1046412097.db2.gz CMRGILKDXYEATD-WUKNDPDISA-N 0 0 314.473 4.286 20 10 DICDRN O=C(/C=C\c1cccnc1)N(CC(F)F)c1cccc(Cl)c1 ZINC000753663779 1046414271 /nfs/dbraw/zinc/41/42/71/1046414271.db2.gz BZYLUFGBPALVFF-SREVYHEPSA-N 0 0 322.742 4.047 20 10 DICDRN CCCC[C@@H](CCC)NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000748977411 1046418946 /nfs/dbraw/zinc/41/89/46/1046418946.db2.gz KTCRHLFMLBPZBU-ZIAGYGMSSA-N 0 0 322.449 4.120 20 10 DICDRN COc1ccc2c(c1)CCCCN2Cc1ccc(N(C)C)cc1 ZINC001168244350 1046444901 /nfs/dbraw/zinc/44/49/01/1046444901.db2.gz MORPNCYNBWDOGA-UHFFFAOYSA-N 0 0 310.441 4.104 20 10 DICDRN CO[C@@H]1CC=C(N(c2ccc(N)cc2)c2ccc(N)cc2)CC1 ZINC001212883118 1046446676 /nfs/dbraw/zinc/44/66/76/1046446676.db2.gz IADHITDSILVLJK-LJQANCHMSA-N 0 0 309.413 4.072 20 10 DICDRN CO[C@@H]1CC=C(N(Cc2ccccc2)c2ccc(N)cc2)CC1 ZINC001212883300 1046447906 /nfs/dbraw/zinc/44/79/06/1046447906.db2.gz LXVRDMNFGJYTHF-HXUWFJFHSA-N 0 0 308.425 4.358 20 10 DICDRN CN(C)c1ccc(CN(C(=O)[C@@H]2CCC(C)(C)C2)C2CC2)cc1 ZINC000781602913 1046459963 /nfs/dbraw/zinc/45/99/63/1046459963.db2.gz PWMJVJUCPCOTTJ-MRXNPFEDSA-N 0 0 314.473 4.070 20 10 DICDRN CCCC(C)(C)[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000781630222 1046464374 /nfs/dbraw/zinc/46/43/74/1046464374.db2.gz RMKZJHAWUZQUCO-UHFFFAOYSA-N 0 0 300.240 4.131 20 10 DICDRN CCC(C)(C)[N@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC000781909442 1046486658 /nfs/dbraw/zinc/48/66/58/1046486658.db2.gz DOGFETOWVHZATC-UHFFFAOYSA-N 0 0 300.240 4.084 20 10 DICDRN Cc1cc(CN(C)c2ccc(OCc3ccccc3)cc2)on1 ZINC000781961115 1046489062 /nfs/dbraw/zinc/48/90/62/1046489062.db2.gz RUHHNLHZLYYUGG-UHFFFAOYSA-N 0 0 308.381 4.198 20 10 DICDRN Cc1cc(C[N@@H+](CC(=O)c2ccccc2)C(C)C)ccc1N(C)C ZINC001139673751 1046497791 /nfs/dbraw/zinc/49/77/91/1046497791.db2.gz XWTABOLRYXBREW-UHFFFAOYSA-N 0 0 324.468 4.154 20 10 DICDRN C[N@H+](Cc1c(F)ccc(F)c1[O-])C(C)(C)Cc1ccccc1 ZINC001139688102 1046498848 /nfs/dbraw/zinc/49/88/48/1046498848.db2.gz ZFXSUCZJACBRMU-UHFFFAOYSA-N 0 0 305.368 4.124 20 10 DICDRN [O-]c1c(F)ccc(F)c1C[N@H+](Cc1ccccc1)C1CCC1 ZINC001139686772 1046499108 /nfs/dbraw/zinc/49/91/08/1046499108.db2.gz FFZLYCPDCBMWAX-UHFFFAOYSA-N 0 0 303.352 4.225 20 10 DICDRN COc1ccc([C@H]2CCC[N@@H+]2Cc2c(F)ccc(F)c2[O-])cc1 ZINC001139683047 1046500082 /nfs/dbraw/zinc/50/00/82/1046500082.db2.gz FOUPJCHQUXSGCG-QGZVFWFLSA-N 0 0 319.351 4.016 20 10 DICDRN CC(C)C[N@H+](Cc1ccccc1)Cc1c(F)ccc(F)c1[O-] ZINC001139685708 1046500115 /nfs/dbraw/zinc/50/01/15/1046500115.db2.gz UDEUVIREPYWWHH-UHFFFAOYSA-N 0 0 305.368 4.329 20 10 DICDRN CO[C@@H](C)CSCC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000782246575 1046510512 /nfs/dbraw/zinc/51/05/12/1046510512.db2.gz VGQYCSNBEGAXKV-AWEZNQCLSA-N 0 0 317.454 4.045 20 10 DICDRN CN(C)c1ccc(CN(C(=O)C2(C)CCCCC2)C2CC2)cc1 ZINC000782239392 1046510783 /nfs/dbraw/zinc/51/07/83/1046510783.db2.gz QLOCJIQZYATTCI-UHFFFAOYSA-N 0 0 314.473 4.214 20 10 DICDRN Oc1ccccc1C[N@H+](Cc1cccc2c[nH]nc21)C1CCCC1 ZINC000093319258 1046518064 /nfs/dbraw/zinc/51/80/64/1046518064.db2.gz GZEKINNLASWNCT-UHFFFAOYSA-N 0 0 321.424 4.213 20 10 DICDRN CCCC(=CC(=O)N[C@H](C)c1cc(OC)ccc1O)CCC ZINC000092515965 1046526049 /nfs/dbraw/zinc/52/60/49/1046526049.db2.gz WCMLQUAGTWQLCE-CYBMUJFWSA-N 0 0 305.418 4.105 20 10 DICDRN Cc1cccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)c1 ZINC000248092795 1046543425 /nfs/dbraw/zinc/54/34/25/1046543425.db2.gz HITPDSXQPAAXCS-UHFFFAOYSA-N 0 0 321.376 4.136 20 10 DICDRN Cc1cc(C(=O)Nc2ccncc2)c(C)n1-c1ccccc1C ZINC000248124183 1046557071 /nfs/dbraw/zinc/55/70/71/1046557071.db2.gz WEJGJPKXJHMSRF-UHFFFAOYSA-N 0 0 305.381 4.050 20 10 DICDRN COc1cc(N[C@H]2C[C@@H](C)c3c2c(O)ccc3F)ccc1F ZINC000783306726 1046576972 /nfs/dbraw/zinc/57/69/72/1046576972.db2.gz MALCNBGZUGECKP-RNCFNFMXSA-N 0 0 305.324 4.339 20 10 DICDRN Oc1ccc(F)cc1C[N@H+](Cc1ccccn1)C1CCCCC1 ZINC001140058714 1046579518 /nfs/dbraw/zinc/57/95/18/1046579518.db2.gz IZMBZTQHCGMWRK-UHFFFAOYSA-N 0 0 314.404 4.261 20 10 DICDRN Cc1cc(C(=O)Nc2ccc(F)nc2)c(C)n1-c1ccccc1C ZINC001137323659 1046580827 /nfs/dbraw/zinc/58/08/27/1046580827.db2.gz VDRAGVFGDSJWRJ-UHFFFAOYSA-N 0 0 323.371 4.189 20 10 DICDRN CCN(CC)c1ccc(C[NH2+][C@@H]2COc3c2ccc(C)c3C)cc1 ZINC000729685531 1046581173 /nfs/dbraw/zinc/58/11/73/1046581173.db2.gz GSTYLHSMRTTXEG-HXUWFJFHSA-N 0 0 324.468 4.373 20 10 DICDRN CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000783328383 1046583388 /nfs/dbraw/zinc/58/33/88/1046583388.db2.gz ADHYVBGWKHWLHP-UFBFGSQYSA-N 0 0 311.294 4.298 20 10 DICDRN COc1ccc(N[C@H](C)c2ccc(Cl)cc2O)c(OC)c1 ZINC000841748134 1046614095 /nfs/dbraw/zinc/61/40/95/1046614095.db2.gz HKJODZWADFWZKY-SNVBAGLBSA-N 0 0 307.777 4.236 20 10 DICDRN Cc1ccc([C@@H](NCc2ccc(N(C)C)cc2)C(F)(F)F)o1 ZINC000783670612 1046619373 /nfs/dbraw/zinc/61/93/73/1046619373.db2.gz OMEPCRNJZZKXBV-OAHLLOKOSA-N 0 0 312.335 4.047 20 10 DICDRN Cc1ccncc1/C=C/C(=O)N(C)c1ccc2ccccc2c1 ZINC000783737720 1046629814 /nfs/dbraw/zinc/62/98/14/1046629814.db2.gz MDDHYPFEFCVBHB-CSKARUKUSA-N 0 0 302.377 4.219 20 10 DICDRN C[C@@H](CC(=O)N[C@@H](C)c1ccccc1O)c1c[nH]c2ccccc21 ZINC000827969879 1046632575 /nfs/dbraw/zinc/63/25/75/1046632575.db2.gz UGBKFVFPYDNJEX-KBPBESRZSA-N 0 0 322.408 4.245 20 10 DICDRN C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)c1ccccc1O ZINC000827969454 1046634144 /nfs/dbraw/zinc/63/41/44/1046634144.db2.gz MTPAEEBJZVLXMS-MVWJERBFSA-N 0 0 321.829 4.088 20 10 DICDRN Cc1ccncc1/C=C\C(=O)N(C)c1cccc2ccccc21 ZINC000783928160 1046646965 /nfs/dbraw/zinc/64/69/65/1046646965.db2.gz MTVSNYMXLLTQSW-KHPPLWFESA-N 0 0 302.377 4.219 20 10 DICDRN Cc1ccc(N[C@H]2CCc3cccc(O)c32)cc1OC(F)F ZINC000834726349 1046656121 /nfs/dbraw/zinc/65/61/21/1046656121.db2.gz PIKWNMZTVYJTRY-ZDUSSCGKSA-N 0 0 305.324 4.401 20 10 DICDRN Oc1cccc2c1[C@@H](Nc1cc(F)ccc1OC(F)F)CC2 ZINC000834730413 1046656523 /nfs/dbraw/zinc/65/65/23/1046656523.db2.gz WUUIILDFHLRXJK-NSHDSACASA-N 0 0 309.287 4.232 20 10 DICDRN C[C@H]([NH2+]C[C@@H]1CSc2ccccc21)c1ccc(F)cc1[O-] ZINC000834818182 1046675890 /nfs/dbraw/zinc/67/58/90/1046675890.db2.gz HXSDZSGYUUQMCX-NWDGAFQWSA-N 0 0 303.402 4.071 20 10 DICDRN CSCC1CCC([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000834874643 1046692140 /nfs/dbraw/zinc/69/21/40/1046692140.db2.gz BROFXOOMANLGAV-XSRFYTQQSA-N 0 0 315.429 4.243 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)CCCCO)c1ccc(Cl)c(Cl)c1[O-] ZINC000834877723 1046693205 /nfs/dbraw/zinc/69/32/05/1046693205.db2.gz LBBKONAXQQRKHJ-GXFFZTMASA-N 0 0 320.260 4.291 20 10 DICDRN CC[C@H]([NH2+][C@H](C)CCCCO)c1ccc(Cl)c(Cl)c1[O-] ZINC000834877725 1046693463 /nfs/dbraw/zinc/69/34/63/1046693463.db2.gz LBBKONAXQQRKHJ-MFKMUULPSA-N 0 0 320.260 4.291 20 10 DICDRN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)c(O)c1 ZINC000834885202 1046698336 /nfs/dbraw/zinc/69/83/36/1046698336.db2.gz HRXWWOHCZSSHBV-LZLYRXPVSA-N 0 0 305.462 4.111 20 10 DICDRN Cc1ccc(O)c(CNc2cc(F)c(OC(C)C)c(F)c2)c1 ZINC000784614673 1046699560 /nfs/dbraw/zinc/69/95/60/1046699560.db2.gz BAOCQYMTTZZZQF-UHFFFAOYSA-N 0 0 307.340 4.378 20 10 DICDRN CC[C@H]([NH2+]C[C@@H]1CCO[C@@H](C(C)C)C1)c1ccc(F)cc1[O-] ZINC000834886535 1046699933 /nfs/dbraw/zinc/69/99/33/1046699933.db2.gz TWWJNYGZFPOVOV-RPVQJOFSSA-N 0 0 309.425 4.023 20 10 DICDRN CCc1nc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)co1 ZINC000834898973 1046708412 /nfs/dbraw/zinc/70/84/12/1046708412.db2.gz DFZOYECFFHBWQP-HNNXBMFYSA-N 0 0 313.445 4.078 20 10 DICDRN CC[C@@H]([NH2+]CC1(CC)COC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000834900636 1046711120 /nfs/dbraw/zinc/71/11/20/1046711120.db2.gz QHTVAVXWYFMOOA-CYBMUJFWSA-N 0 0 318.244 4.166 20 10 DICDRN CCc1nc(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])co1 ZINC000834900992 1046712948 /nfs/dbraw/zinc/71/29/48/1046712948.db2.gz YECQIGMWAFNWNS-QMMMGPOBSA-N 0 0 315.200 4.100 20 10 DICDRN C[C@@H]([NH2+]CCC[C@H]1CCOC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000834904137 1046716088 /nfs/dbraw/zinc/71/60/88/1046716088.db2.gz NEZWNMIXNXIWFC-MNOVXSKESA-N 0 0 318.244 4.166 20 10 DICDRN CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000834912850 1046718891 /nfs/dbraw/zinc/71/88/91/1046718891.db2.gz MROLNYXKCSMSEG-OASPWFOLSA-N 0 0 318.244 4.307 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CCOc2c(C)cccc21)c1ccc(F)cc1[O-] ZINC000796735772 1046725545 /nfs/dbraw/zinc/72/55/45/1046725545.db2.gz FYKGBOOZAYLAQW-DLBZAZTESA-N 0 0 315.388 4.404 20 10 DICDRN CC[C@@H]([NH2+]CCc1cc(F)cc(F)c1)c1ccc(F)cc1[O-] ZINC000796735384 1046725757 /nfs/dbraw/zinc/72/57/57/1046725757.db2.gz AOYXFHWDBKNAHX-MRXNPFEDSA-N 0 0 309.331 4.093 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)CCc1ccc(O)cc1)c1ccc(F)cc1[O-] ZINC000796748446 1046727156 /nfs/dbraw/zinc/72/71/56/1046727156.db2.gz LKVSFSMHIAVBEJ-FZKQIMNGSA-N 0 0 317.404 4.299 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)c1ccc(F)cc1[O-] ZINC000796773070 1046730086 /nfs/dbraw/zinc/73/00/86/1046730086.db2.gz XBJLVEUIEDCLDM-SFHVURJKSA-N 0 0 316.420 4.147 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)c1c(F)cccc1OC)c1ccc(F)cc1[O-] ZINC000796782512 1046732453 /nfs/dbraw/zinc/73/24/53/1046732453.db2.gz AYISTBUGHMUFMX-XHDPSFHLSA-N 0 0 321.367 4.481 20 10 DICDRN CC[C@H]([NH2+]CCc1cc(F)ccc1F)c1ccc(F)cc1[O-] ZINC000796780154 1046733377 /nfs/dbraw/zinc/73/33/77/1046733377.db2.gz PIPBTUAJKMJOOC-INIZCTEOSA-N 0 0 309.331 4.093 20 10 DICDRN COc1ccc([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3O)C2)cc1 ZINC001140464472 1046735101 /nfs/dbraw/zinc/73/51/01/1046735101.db2.gz RALDTOHBLKQKOM-CQSZACIVSA-N 0 0 317.816 4.044 20 10 DICDRN CC[C@H]([NH2+][C@H]1COc2c1ccc(C)c2C)c1ccc(F)cc1[O-] ZINC000796821723 1046740103 /nfs/dbraw/zinc/74/01/03/1046740103.db2.gz VLGQLKAWBPVQET-IRXDYDNUSA-N 0 0 315.388 4.323 20 10 DICDRN CC[C@H]([NH2+]C[C@H]1CCCO[C@@H]1C(C)C)c1ccc(F)cc1[O-] ZINC000796828419 1046740184 /nfs/dbraw/zinc/74/01/84/1046740184.db2.gz VCRYHEGFZIEVCA-RPVQJOFSSA-N 0 0 309.425 4.023 20 10 DICDRN CCOCCC1(C[NH2+][C@H](CC)c2ccc(F)cc2[O-])CCC1 ZINC000796832450 1046742047 /nfs/dbraw/zinc/74/20/47/1046742047.db2.gz QBMYWVAFXNTKAD-MRXNPFEDSA-N 0 0 309.425 4.169 20 10 DICDRN CC[C@@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1ccc(F)cc1[O-] ZINC000796844007 1046744618 /nfs/dbraw/zinc/74/46/18/1046744618.db2.gz CUQAKJBGLWYNRF-SJLPKXTDSA-N 0 0 300.377 4.118 20 10 DICDRN CC[C@@H]([NH2+][C@H](CC)c1ccc(F)cc1[O-])c1c(C)noc1C ZINC000796847936 1046744945 /nfs/dbraw/zinc/74/49/45/1046744945.db2.gz VRFIQEATWJBBDG-HUUCEWRRSA-N 0 0 306.381 4.328 20 10 DICDRN CC[C@@H]([NH2+][C@@H](CC)c1ccc(F)cc1[O-])c1c(C)noc1C ZINC000796847938 1046745097 /nfs/dbraw/zinc/74/50/97/1046745097.db2.gz VRFIQEATWJBBDG-LSDHHAIUSA-N 0 0 306.381 4.328 20 10 DICDRN CC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)CCC(F)(F)F ZINC000835026717 1046745075 /nfs/dbraw/zinc/74/50/75/1046745075.db2.gz FPJCNZXAJPNPIM-AATRIKPKSA-N 0 0 300.368 4.040 20 10 DICDRN CC[C@H](Nc1ccc(OC)cc1OC)c1ccc(F)cc1O ZINC000796854962 1046746904 /nfs/dbraw/zinc/74/69/04/1046746904.db2.gz FDNNTZVNNMHPOH-AWEZNQCLSA-N 0 0 305.349 4.112 20 10 DICDRN CCc1cnccc1[C@H](C)[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000796857089 1046747160 /nfs/dbraw/zinc/74/71/60/1046747160.db2.gz YYUOKVAYZZSOEG-YVEFUNNKSA-N 0 0 302.393 4.291 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)c1ccc(F)cc1[O-] ZINC000796853672 1046747639 /nfs/dbraw/zinc/74/76/39/1046747639.db2.gz PTIYSKSOTPCITA-KMFMINBZSA-N 0 0 309.425 4.166 20 10 DICDRN CC[C@@H](Nc1ccc2c(c1)OCCCO2)c1ccc(F)cc1O ZINC000796860971 1046749838 /nfs/dbraw/zinc/74/98/38/1046749838.db2.gz ZGZYMTKVNLTPNT-OAHLLOKOSA-N 0 0 317.360 4.256 20 10 DICDRN C[C@H](O)c1cc(NC/C=C/c2ccc(N(C)C)cc2)ccc1F ZINC000835054251 1046750192 /nfs/dbraw/zinc/75/01/92/1046750192.db2.gz TYJDZNPVNPLXCR-NNTXTVRGSA-N 0 0 314.404 4.070 20 10 DICDRN CC[C@@H](Nc1cnn(CC(C)C)c1C)c1ccc(F)cc1O ZINC000796897984 1046753921 /nfs/dbraw/zinc/75/39/21/1046753921.db2.gz MUPRUGLXAGUDNE-OAHLLOKOSA-N 0 0 305.397 4.255 20 10 DICDRN CC[C@H](Nc1ccccc1OCCOC)c1ccc(F)cc1O ZINC000796905765 1046756384 /nfs/dbraw/zinc/75/63/84/1046756384.db2.gz HINXIGSMVPPZJF-HNNXBMFYSA-N 0 0 319.376 4.120 20 10 DICDRN CC[C@@H](Nc1cc(F)c(OC)cc1OC)c1ccc(F)cc1O ZINC000796923552 1046759463 /nfs/dbraw/zinc/75/94/63/1046759463.db2.gz OFXCUTQBUCTSKH-CYBMUJFWSA-N 0 0 323.339 4.251 20 10 DICDRN CC[C@@H](Nc1cccc(CCCO)c1)c1ccc(F)cc1O ZINC000796936934 1046760601 /nfs/dbraw/zinc/76/06/01/1046760601.db2.gz KKROGFYPRMAOPI-QGZVFWFLSA-N 0 0 303.377 4.019 20 10 DICDRN CC[C@H]([NH2+]CCC1CCC(OC)CC1)c1ccc(F)cc1[O-] ZINC000796938003 1046760982 /nfs/dbraw/zinc/76/09/82/1046760982.db2.gz UKZPAWJIJFSTPN-PGEKIEPBSA-N 0 0 309.425 4.167 20 10 DICDRN CC[C@H]([NH2+][C@H]1CCCO[C@H]1CC(C)C)c1ccc(F)cc1[O-] ZINC000796953109 1046762932 /nfs/dbraw/zinc/76/29/32/1046762932.db2.gz MCQUBBWYRJDRNV-BQFCYCMXSA-N 0 0 309.425 4.166 20 10 DICDRN CN(C)c1ccc(C[N@H+](C)Cc2cc(F)cc(Cl)c2)cc1 ZINC001140542089 1046774167 /nfs/dbraw/zinc/77/41/67/1046774167.db2.gz AURCTCBJIKKYRL-UHFFFAOYSA-N 0 0 306.812 4.177 20 10 DICDRN CC[C@H](Nc1cc(CCOC)ccn1)c1cc(Cl)ccc1O ZINC000797043934 1046779255 /nfs/dbraw/zinc/77/92/55/1046779255.db2.gz PKHQFSUAPAWKSH-HNNXBMFYSA-N 0 0 320.820 4.193 20 10 DICDRN CC[C@H]([NH2+][C@H](C)[C@@H](O)c1ccc(C)cc1)c1ccc(F)cc1[O-] ZINC000797062956 1046784554 /nfs/dbraw/zinc/78/45/54/1046784554.db2.gz WIDUGOAAFOFHKS-XVGQJIODSA-N 0 0 317.404 4.003 20 10 DICDRN C[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000797064736 1046784593 /nfs/dbraw/zinc/78/45/93/1046784593.db2.gz JFZDCILWDWMYKA-UBJUHAIHSA-N 0 0 306.258 4.101 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)[C@H](O)c1ccc(C)cc1)c1ccc(F)cc1[O-] ZINC000797062942 1046784937 /nfs/dbraw/zinc/78/49/37/1046784937.db2.gz WIDUGOAAFOFHKS-IXDGSTSKSA-N 0 0 317.404 4.003 20 10 DICDRN C[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000797067259 1046785012 /nfs/dbraw/zinc/78/50/12/1046785012.db2.gz YJOKTLUJONOELD-VHSKPIJISA-N 0 0 306.258 4.101 20 10 DICDRN C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1cc(Br)cc(Cl)c1[O-] ZINC000797130438 1046793176 /nfs/dbraw/zinc/79/31/76/1046793176.db2.gz REQKYPTXWAZWBT-UBJUHAIHSA-N 0 0 318.642 4.257 20 10 DICDRN Cc1cc2cc(C[NH2+][C@@H](C)c3cc(F)cc(F)c3[O-])ccc2[nH]1 ZINC000797135748 1046794862 /nfs/dbraw/zinc/79/48/62/1046794862.db2.gz TYGQXXOTUIIUPB-NSHDSACASA-N 0 0 316.351 4.311 20 10 DICDRN CN(C)c1ccc(CN(C)Cc2cc(F)c(Cl)cc2F)cc1 ZINC001140702782 1046866104 /nfs/dbraw/zinc/86/61/04/1046866104.db2.gz WGAVTBUSYAWMTE-UHFFFAOYSA-N 0 0 324.802 4.316 20 10 DICDRN COc1ccc(O)c(CNc2ccc(OC3CCCC3)cc2)c1 ZINC000237363704 1046868250 /nfs/dbraw/zinc/86/82/50/1046868250.db2.gz CZGBTPLBGQZBSH-UHFFFAOYSA-N 0 0 313.397 4.334 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)CCCC2 ZINC000303108855 1046873261 /nfs/dbraw/zinc/87/32/61/1046873261.db2.gz AZONSEVPRHJVLV-UHFFFAOYSA-N 0 0 323.436 4.323 20 10 DICDRN COc1cccc(Cl)c1CN(C)Cc1ccc(N(C)C)cc1 ZINC001140730318 1046880849 /nfs/dbraw/zinc/88/08/49/1046880849.db2.gz GNXGOXGTQPGNRV-UHFFFAOYSA-N 0 0 318.848 4.047 20 10 DICDRN CCCCN(CC)C(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C ZINC000303210367 1046892823 /nfs/dbraw/zinc/89/28/23/1046892823.db2.gz RCONOSYMKZGKQN-UHFFFAOYSA-N 0 0 323.440 4.228 20 10 DICDRN C[C@H]([NH2+][C@H]1C[C@H](c2cccc(F)c2)C1)c1ccc(F)cc1[O-] ZINC000797998142 1046918035 /nfs/dbraw/zinc/91/80/35/1046918035.db2.gz ANIGXUHMQGWTJV-RBOXIYTFSA-N 0 0 303.352 4.267 20 10 DICDRN COC(=O)Nc1cccc(NCc2cccc(Cl)c2O)c1C ZINC000798085938 1046927673 /nfs/dbraw/zinc/92/76/73/1046927673.db2.gz BEHQUDNPIYTQAM-UHFFFAOYSA-N 0 0 320.776 4.144 20 10 DICDRN C[C@H]([NH2+]Cc1cccs1)c1cccc(C(F)(F)F)c1[O-] ZINC000798179772 1046933906 /nfs/dbraw/zinc/93/39/06/1046933906.db2.gz MPZUXDLZAJEXKH-VIFPVBQESA-N 0 0 301.333 4.323 20 10 DICDRN Cc1ccccc1[C@@H](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000303690570 1046947903 /nfs/dbraw/zinc/94/79/03/1046947903.db2.gz MPMCMFDQDUUYIL-KRWDZBQOSA-N 0 0 324.468 4.213 20 10 DICDRN CN(C)c1ccc(CN2CCCC[C@H]2C(F)(F)F)c(Cl)c1 ZINC001140925023 1046950327 /nfs/dbraw/zinc/95/03/27/1046950327.db2.gz YGFFIJGPCQPPSV-AWEZNQCLSA-N 0 0 320.786 4.323 20 10 DICDRN CN(C)c1ccc(C[NH+]2CC(c3ccccc3)C2)c(Cl)c1 ZINC001140925805 1046951082 /nfs/dbraw/zinc/95/10/82/1046951082.db2.gz WCRPNIGUQHHYFF-UHFFFAOYSA-N 0 0 300.833 4.005 20 10 DICDRN CSc1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000798504670 1046959725 /nfs/dbraw/zinc/95/97/25/1046959725.db2.gz NBDHZXUUQLXBQQ-CYBMUJFWSA-N 0 0 318.461 4.464 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)C1=CC[C@@H](C)CC1 ZINC000836787877 1046988496 /nfs/dbraw/zinc/98/84/96/1046988496.db2.gz NORNOEUUOSXURS-OAHLLOKOSA-N 0 0 301.430 4.267 20 10 DICDRN COc1ccc(N(CC(C)C)C(=O)/C=C/c2cncc(C)c2)cc1 ZINC001276355431 1046990223 /nfs/dbraw/zinc/99/02/23/1046990223.db2.gz OVDYCCBKRPBWHL-BJMVGYQFSA-N 0 0 324.424 4.101 20 10 DICDRN Cc1nn(C(C)C)cc1CN(C)c1ccc(OC(C)C)cc1 ZINC000798953826 1046992680 /nfs/dbraw/zinc/99/26/80/1046992680.db2.gz MDCLFEYKOZQOKG-UHFFFAOYSA-N 0 0 301.434 4.196 20 10 DICDRN CCN(C(=O)/C=C\c1scnc1C)c1ccc(Cl)c(F)c1 ZINC000799409381 1047026605 /nfs/dbraw/zinc/02/66/05/1047026605.db2.gz YQNRLSPCVJDSFZ-SREVYHEPSA-N 0 0 324.808 4.310 20 10 DICDRN CN(Cc1cc(O)ccc1O)Cc1cccc(Cl)c1Cl ZINC001141159222 1047028706 /nfs/dbraw/zinc/02/87/06/1047028706.db2.gz CONNKMAFXQBTHO-UHFFFAOYSA-N 0 0 312.196 4.037 20 10 DICDRN Cc1cc(C=C2SC(NC3CCCCC3)=NC2=O)ccc1F ZINC000097550264 1047053211 /nfs/dbraw/zinc/05/32/11/1047053211.db2.gz FNCWONPQFJXPRS-XNTDXEJSSA-N 0 0 318.417 4.027 20 10 DICDRN O=[N+]([O-])c1cnc(Sc2nc(-c3ccccc3)cs2)s1 ZINC000799925483 1047076213 /nfs/dbraw/zinc/07/62/13/1047076213.db2.gz MPSYHUDXEIAIFL-UHFFFAOYSA-N 0 0 321.408 4.326 20 10 DICDRN CCCC[C@H](C)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000799961753 1047078188 /nfs/dbraw/zinc/07/81/88/1047078188.db2.gz ZFYDTSLPJAPSGH-AWEZNQCLSA-N 0 0 322.412 4.161 20 10 DICDRN CC(C)[NH+](Cc1cc(Cl)cc(Br)c1[O-])C(C)C ZINC001141365860 1047107028 /nfs/dbraw/zinc/10/70/28/1047107028.db2.gz AEDBITWPJWZGHK-UHFFFAOYSA-N 0 0 320.658 4.427 20 10 DICDRN C[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])CC1CCC1 ZINC001141372966 1047107799 /nfs/dbraw/zinc/10/77/99/1047107799.db2.gz GXXWCUOYEWPIJZ-UHFFFAOYSA-N 0 0 318.642 4.040 20 10 DICDRN CC[C@H]1CCCC[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001137443107 1047122284 /nfs/dbraw/zinc/12/22/84/1047122284.db2.gz BYFUXFWLBQVDHM-WMLDXEAASA-N 0 0 315.457 4.104 20 10 DICDRN Cc1cccc(-c2cccc(C(=O)NCc3ccccc3O)c2)c1 ZINC001137471626 1047150160 /nfs/dbraw/zinc/15/01/60/1047150160.db2.gz UEDVGPROGKNFQH-UHFFFAOYSA-N 0 0 317.388 4.298 20 10 DICDRN C[C@@H](Nc1nc(C(C)(C)C)ns1)c1ccc(N(C)C)cc1 ZINC001116667345 1047166802 /nfs/dbraw/zinc/16/68/02/1047166802.db2.gz NFDDNMVJPZAMDG-LLVKDONJSA-N 0 0 304.463 4.075 20 10 DICDRN CC[C@@H]([NH2+]CCCc1nc(C)cs1)c1ccc(C)cc1O ZINC001116873787 1047185678 /nfs/dbraw/zinc/18/56/78/1047185678.db2.gz JWXSPMCSODTYAX-OAHLLOKOSA-N 0 0 304.459 4.139 20 10 DICDRN C[C@@H](O)c1cc(NCc2ccc(N3CCCC3)cc2)ccc1F ZINC001117110803 1047193208 /nfs/dbraw/zinc/19/32/08/1047193208.db2.gz WUMTWXVBKPYKNW-CQSZACIVSA-N 0 0 314.404 4.091 20 10 DICDRN C[C@H](CCCc1cccnc1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000839151232 1047198136 /nfs/dbraw/zinc/19/81/36/1047198136.db2.gz SZUXVGIDFQSZCH-GFCCVEGCSA-N 0 0 322.811 4.081 20 10 DICDRN CCCC1(C(=O)N(C)Cc2ccc(N(CC)CC)cc2)CC1 ZINC000760322130 1047212152 /nfs/dbraw/zinc/21/21/52/1047212152.db2.gz WPSZLLBBNAERMD-UHFFFAOYSA-N 0 0 302.462 4.072 20 10 DICDRN CCC(CC)(CC)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000760365264 1047222868 /nfs/dbraw/zinc/22/28/68/1047222868.db2.gz NPCUJBYUYZDKLQ-UHFFFAOYSA-N 0 0 302.462 4.119 20 10 DICDRN CCC(=O)c1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000760381945 1047223332 /nfs/dbraw/zinc/22/33/32/1047223332.db2.gz LFGDWKOMEIYBBF-UHFFFAOYSA-N 0 0 322.408 4.132 20 10 DICDRN CC(C)=CCSc1ccccc1C(=O)N1C[C@@H]2C[C@H]1CS2 ZINC000839453287 1047237545 /nfs/dbraw/zinc/23/75/45/1047237545.db2.gz PMXBTEPBVPUWLH-KBPBESRZSA-N 0 0 319.495 4.075 20 10 DICDRN Cc1cc(-c2nnc([C@]3(C)CCCO3)o2)c(C)n1-c1ccccc1 ZINC001118128724 1047265124 /nfs/dbraw/zinc/26/51/24/1047265124.db2.gz HNCMAAAKTMIHTL-IBGZPJMESA-N 0 0 323.396 4.170 20 10 DICDRN CCO[C@H]1C[C@H]1c1nnc(-c2cc(C)n(-c3ccccc3)c2C)o1 ZINC001118129002 1047266314 /nfs/dbraw/zinc/26/63/14/1047266314.db2.gz NOOWLNHJAVLFOO-SJORKVTESA-N 0 0 323.396 4.037 20 10 DICDRN CCO[C@H]1C[C@@H]1c1nnc(-c2cc(C)n(-c3ccccc3)c2C)o1 ZINC001118129001 1047268063 /nfs/dbraw/zinc/26/80/63/1047268063.db2.gz NOOWLNHJAVLFOO-IRXDYDNUSA-N 0 0 323.396 4.037 20 10 DICDRN Cc1csc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000385995189 1047276355 /nfs/dbraw/zinc/27/63/55/1047276355.db2.gz QLYRQDJOTUQVKY-UHFFFAOYSA-N 0 0 302.226 4.359 20 10 DICDRN Cc1c(Cl)cccc1NCc1ccc(N2CCOCC2)cc1 ZINC000386264235 1047276705 /nfs/dbraw/zinc/27/67/05/1047276705.db2.gz ZLMFJMIIJWOCMC-UHFFFAOYSA-N 0 0 316.832 4.097 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccn(C(C)C)n2)cc1 ZINC000796440832 1047285012 /nfs/dbraw/zinc/28/50/12/1047285012.db2.gz DSSUJJRQRUPRBN-UHFFFAOYSA-N 0 0 322.412 4.124 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1ccccc1OC ZINC000388587187 1047287233 /nfs/dbraw/zinc/28/72/33/1047287233.db2.gz HHENMPCPWJUFQQ-MLGOLLRUSA-N 0 0 303.377 4.342 20 10 DICDRN Oc1cccc2c1[C@H](Nc1ccc(OC(F)F)c(F)c1)CC2 ZINC000389843930 1047291981 /nfs/dbraw/zinc/29/19/81/1047291981.db2.gz SECXOFQPUSLQJG-GFCCVEGCSA-N 0 0 309.287 4.232 20 10 DICDRN C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1cncs1 ZINC000897934518 1047299484 /nfs/dbraw/zinc/29/94/84/1047299484.db2.gz KUUUQTQIURUCHP-ZETCQYMHSA-N 0 0 303.214 4.006 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCCC1(F)F ZINC000390690854 1047299837 /nfs/dbraw/zinc/29/98/37/1047299837.db2.gz AJLPORSWKWJRFZ-VIFPVBQESA-N 0 0 310.171 4.224 20 10 DICDRN O=C(Nc1cccc(N2CCCC2)c1)c1cccc2cc[nH]c21 ZINC000390876230 1047301731 /nfs/dbraw/zinc/30/17/31/1047301731.db2.gz VEWZOUNYDFFLBU-UHFFFAOYSA-N 0 0 305.381 4.020 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000898218212 1047323577 /nfs/dbraw/zinc/32/35/77/1047323577.db2.gz AVYQVKMPWIUUMS-CJNGLKHVSA-N 0 0 316.832 4.257 20 10 DICDRN C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccccc1F)c1cc(F)cc(F)c1[O-] ZINC000840788523 1047332618 /nfs/dbraw/zinc/33/26/18/1047332618.db2.gz PUSYKCXCOQKNQD-SULUZNBOSA-N 0 0 307.315 4.016 20 10 DICDRN CC1(C)CC[C@@H](NC(=O)NCc2ccccc2O)c2ccccc21 ZINC000726249214 1047342395 /nfs/dbraw/zinc/34/23/95/1047342395.db2.gz GBTOQJVWKAKQAZ-QGZVFWFLSA-N 0 0 324.424 4.004 20 10 DICDRN C[C@@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000840858704 1047346646 /nfs/dbraw/zinc/34/66/46/1047346646.db2.gz BNSIFBVTZFVGHD-IWSPIJDZSA-N 0 0 306.258 4.244 20 10 DICDRN CC[C@H]([NH2+]Cc1cnccc1C(C)(C)C)c1ccc(F)cc1[O-] ZINC000840856194 1047346744 /nfs/dbraw/zinc/34/67/44/1047346744.db2.gz HIGPJIBRKDOSHN-KRWDZBQOSA-N 0 0 316.420 4.465 20 10 DICDRN Cc1ccc([C@@H](C)Nc2cccc([C@@H]3CCC(=O)N3)c2)c(O)c1C ZINC000840883263 1047352492 /nfs/dbraw/zinc/35/24/92/1047352492.db2.gz FJHHWOWEMCRLPK-KDOFPFPSSA-N 0 0 324.424 4.133 20 10 DICDRN COc1ccc(N(CCC(C)C)Cc2nnc(C3CC3)o2)cc1 ZINC000796506247 1047357908 /nfs/dbraw/zinc/35/79/08/1047357908.db2.gz WOYUTHCFYJEWCP-UHFFFAOYSA-N 0 0 315.417 4.008 20 10 DICDRN Cc1cc(O)c(CNCc2nc(C(C)C)cs2)c(Cl)c1 ZINC000840908525 1047358734 /nfs/dbraw/zinc/35/87/34/1047358734.db2.gz DTMACMJEHRGFEX-UHFFFAOYSA-N 0 0 310.850 4.224 20 10 DICDRN CCc1nnc(CN(CCC(C)C)c2ccc(OC)cc2)s1 ZINC000796506266 1047359094 /nfs/dbraw/zinc/35/90/94/1047359094.db2.gz XPLKTJORIVQBNA-UHFFFAOYSA-N 0 0 319.474 4.162 20 10 DICDRN Cc1cc(N(C)C)ccc1CNc1cccc(-c2nccn2C)c1 ZINC000840925909 1047361241 /nfs/dbraw/zinc/36/12/41/1047361241.db2.gz KCZNCWLMZWLHCA-UHFFFAOYSA-N 0 0 320.440 4.074 20 10 DICDRN CCOc1cccc(CNc2ccc(C)cc2SC)c1O ZINC000840959477 1047362431 /nfs/dbraw/zinc/36/24/31/1047362431.db2.gz WLIQHTYASVKIIS-UHFFFAOYSA-N 0 0 303.427 4.433 20 10 DICDRN CCCOc1c(Cl)cc(CNc2ccc(N)cc2)cc1OC ZINC000841040613 1047373895 /nfs/dbraw/zinc/37/38/95/1047373895.db2.gz VJMDESZIVZWVFI-UHFFFAOYSA-N 0 0 320.820 4.332 20 10 DICDRN CCC(C)(C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000726768260 1047380654 /nfs/dbraw/zinc/38/06/54/1047380654.db2.gz URJYSXOIMHVFLZ-UHFFFAOYSA-N 0 0 302.462 4.072 20 10 DICDRN Cc1ccc(C)c([C@H]2CCCN2C(=O)Nc2ccc(N)cc2)c1 ZINC000841297437 1047400126 /nfs/dbraw/zinc/40/01/26/1047400126.db2.gz DXUFWGPRMMPZAG-GOSISDBHSA-N 0 0 309.413 4.255 20 10 DICDRN Cc1ccc(C2(CNC(=O)Nc3ccc(N)cc3)CCC2)cc1C ZINC000841296884 1047400270 /nfs/dbraw/zinc/40/02/70/1047400270.db2.gz JXDJNKYSPKKNDI-UHFFFAOYSA-N 0 0 323.440 4.129 20 10 DICDRN Nc1ccc(NC(=O)N2CC3(CCCC3)c3ccccc32)cc1 ZINC000841298379 1047400559 /nfs/dbraw/zinc/40/05/59/1047400559.db2.gz BRIMEDRBNNFNNP-UHFFFAOYSA-N 0 0 307.397 4.133 20 10 DICDRN CC(C)c1ccc2c(c1)[C@H](NC(=O)Nc1ccc(N)cc1)CC2 ZINC000841295543 1047400802 /nfs/dbraw/zinc/40/08/02/1047400802.db2.gz BABKRVKTBMTUNA-GOSISDBHSA-N 0 0 309.413 4.201 20 10 DICDRN CCCN(C(=O)Nc1ccc(N)cc1)[C@H]1CCc2ccccc21 ZINC000841301223 1047401314 /nfs/dbraw/zinc/40/13/14/1047401314.db2.gz GJCQBMPUJLCKAS-SFHVURJKSA-N 0 0 309.413 4.200 20 10 DICDRN Nc1ccc(NC(=O)N2CCC[C@@H](c3ccccc3)CC2)cc1 ZINC000841301118 1047401380 /nfs/dbraw/zinc/40/13/80/1047401380.db2.gz BAXPTHYSHJDATO-MRXNPFEDSA-N 0 0 309.413 4.070 20 10 DICDRN C[C@H]1CCN(C(=O)Nc2ccc(N)cc2)[C@H]1c1cccc(F)c1 ZINC000841299490 1047401595 /nfs/dbraw/zinc/40/15/95/1047401595.db2.gz HQHQIAVIRHDATN-YVEFUNNKSA-N 0 0 313.376 4.023 20 10 DICDRN Nc1ccc(NC(=O)N2CCCC3(C2)CCCCCC3)cc1 ZINC000841300421 1047401700 /nfs/dbraw/zinc/40/17/00/1047401700.db2.gz RIMUQIWRBVAAHO-UHFFFAOYSA-N 0 0 301.434 4.237 20 10 DICDRN Nc1ccc(NC(=O)N[C@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC000841300461 1047402019 /nfs/dbraw/zinc/40/20/19/1047402019.db2.gz POSXNWLRGOVYGQ-KRWDZBQOSA-N 0 0 313.376 4.071 20 10 DICDRN Nc1ccc(N(Cc2ccccc2)C(=O)/C=C/c2ccoc2)cc1 ZINC001142261461 1047419732 /nfs/dbraw/zinc/41/97/32/1047419732.db2.gz GOXQGZOUJMKDBG-IZZDOVSWSA-N 0 0 318.376 4.108 20 10 DICDRN CC[C@@H](CC1CCCCC1)C(=O)NCc1cccc(OC)c1O ZINC000749531811 1047426096 /nfs/dbraw/zinc/42/60/96/1047426096.db2.gz TYJJDEMDFXDGJT-HNNXBMFYSA-N 0 0 319.445 4.014 20 10 DICDRN Cc1cc(Cl)cc(/C=C2\SC(=S)N(C3CC3)C2=O)c1 ZINC000841495956 1047431754 /nfs/dbraw/zinc/43/17/54/1047431754.db2.gz MJFXVVZACRHGBM-GHXNOFRVSA-N 0 0 309.843 4.012 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1O ZINC000841746470 1047448277 /nfs/dbraw/zinc/44/82/77/1047448277.db2.gz ZMOSZKJULHOLQW-WDEREUQCSA-N 0 0 320.776 4.366 20 10 DICDRN COC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)c1ccccc1 ZINC000841747649 1047448370 /nfs/dbraw/zinc/44/83/70/1047448370.db2.gz GYHVCUYOXVZUIY-BLLLJJGKSA-N 0 0 305.805 4.084 20 10 DICDRN CCc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841747851 1047449047 /nfs/dbraw/zinc/44/90/47/1047449047.db2.gz FFFZITQXIUBTCV-NEPJUHHUSA-N 0 0 304.821 4.415 20 10 DICDRN COCCOc1ccc(N[C@@H](C)c2ccc(Cl)cc2O)cc1 ZINC000841751360 1047449850 /nfs/dbraw/zinc/44/98/50/1047449850.db2.gz XAJQKRVVSGVVQY-LBPRGKRZSA-N 0 0 321.804 4.244 20 10 DICDRN C[C@H](C1CC1)n1cc(N[C@@H](C)c2ccc(Cl)cc2O)cn1 ZINC000841750731 1047450168 /nfs/dbraw/zinc/45/01/68/1047450168.db2.gz AMKZLXAAISMPPS-WDEREUQCSA-N 0 0 305.809 4.386 20 10 DICDRN COCCOc1ccccc1N[C@H](C)c1ccc(Cl)cc1O ZINC000841753914 1047451832 /nfs/dbraw/zinc/45/18/32/1047451832.db2.gz OJXSEAVIDTYSCP-GFCCVEGCSA-N 0 0 321.804 4.244 20 10 DICDRN COC1CCC(CC[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841754888 1047451952 /nfs/dbraw/zinc/45/19/52/1047451952.db2.gz VGLFALIUNDHDLL-OPFPJEHXSA-N 0 0 311.853 4.292 20 10 DICDRN Cc1cnc([C@@H](C)C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])s1 ZINC000841753743 1047452237 /nfs/dbraw/zinc/45/22/37/1047452237.db2.gz VOMMEVHEEKCIOL-GXSJLCMTSA-N 0 0 310.850 4.265 20 10 DICDRN CC(C)[C@H]1C[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CCO1 ZINC000841757613 1047453584 /nfs/dbraw/zinc/45/35/84/1047453584.db2.gz NVLXWFHGCZWSDN-GDZNZVCISA-N 0 0 311.853 4.147 20 10 DICDRN CC[C@H]([NH2+][C@H]1COCc2ccccc21)c1cccc(Cl)c1[O-] ZINC000841761686 1047455362 /nfs/dbraw/zinc/45/53/62/1047455362.db2.gz RIUABGSPBJWGHC-IRXDYDNUSA-N 0 0 317.816 4.358 20 10 DICDRN C[C@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])CC(F)F ZINC000842889579 1047512344 /nfs/dbraw/zinc/51/23/44/1047512344.db2.gz BGOUBKJYAHNKPV-IUCAKERBSA-N 0 0 311.294 4.353 20 10 DICDRN C[C@@H](CCCc1ccccc1)c1nc(Cc2ccc(N)cc2)no1 ZINC000843158713 1047530008 /nfs/dbraw/zinc/53/00/08/1047530008.db2.gz HVRQRLSHUYLUOG-HNNXBMFYSA-N 0 0 321.424 4.369 20 10 DICDRN CC(C)(C)c1cccc(CN2CC(F)(F)C[C@@]2(C)CF)c1O ZINC001143103651 1047531195 /nfs/dbraw/zinc/53/11/95/1047531195.db2.gz IJEHGLMKUAAYEK-INIZCTEOSA-N 0 0 315.379 4.259 20 10 DICDRN CC(C)(C)c1cccc(CN2CCC[C@@H](F)C(F)(F)C2)c1O ZINC001143104467 1047531896 /nfs/dbraw/zinc/53/18/96/1047531896.db2.gz SVOPINKQLXXYNC-CQSZACIVSA-N 0 0 315.379 4.259 20 10 DICDRN CCC[C@H](CC(C)C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001150377294 1047576835 /nfs/dbraw/zinc/57/68/35/1047576835.db2.gz HMDHQWCQFUUFLE-MRXNPFEDSA-N 0 0 317.473 4.350 20 10 DICDRN CCCC1(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1 ZINC000760556670 1047587115 /nfs/dbraw/zinc/58/71/15/1047587115.db2.gz AZUBGPJATCKAHF-UHFFFAOYSA-N 0 0 314.473 4.119 20 10 DICDRN C/C=C(\C)C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC001152395539 1047610874 /nfs/dbraw/zinc/61/08/74/1047610874.db2.gz MVMRZRIAJUOYFY-UDCCBSLUSA-N 0 0 309.409 4.448 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000926951793 1047635799 /nfs/dbraw/zinc/63/57/99/1047635799.db2.gz XHVBWURFZCDLAU-MKPLZMMCSA-N 0 0 307.743 4.285 20 10 DICDRN C[C@H](NC(=O)CCC[Si](C)(C)C)c1ccc(N(C)C)cc1 ZINC001154668748 1047654254 /nfs/dbraw/zinc/65/42/54/1047654254.db2.gz KLEFJIVSISDOPL-AWEZNQCLSA-N 0 0 306.526 4.048 20 10 DICDRN CCN(Cc1ccccc1O)c1nc(C(C)C)nc(Cl)c1C ZINC001154890527 1047661392 /nfs/dbraw/zinc/66/13/92/1047661392.db2.gz AMHWOZXHIGHCDQ-UHFFFAOYSA-N 0 0 319.836 4.294 20 10 DICDRN CCN(Cc1ccccc1O)C(F)(F)c1cccnc1Cl ZINC001154890378 1047661470 /nfs/dbraw/zinc/66/14/70/1047661470.db2.gz XPZCBSSEVQGVEH-UHFFFAOYSA-N 0 0 312.747 4.012 20 10 DICDRN CCN(Cc1ccccc1O)c1nccc(Oc2ccccc2)n1 ZINC001154889805 1047661684 /nfs/dbraw/zinc/66/16/84/1047661684.db2.gz HTTMUMHGRNMAOQ-UHFFFAOYSA-N 0 0 321.380 4.001 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(C)cc1C ZINC001155704636 1047687339 /nfs/dbraw/zinc/68/73/39/1047687339.db2.gz MBRNOAFGOQYKDZ-UHFFFAOYSA-N 0 0 311.425 4.452 20 10 DICDRN O=C(NCc1c(O)ccc2ccccc21)c1cccc(Cl)c1 ZINC001157037531 1047732590 /nfs/dbraw/zinc/73/25/90/1047732590.db2.gz SHXOKRKAYWEHJP-UHFFFAOYSA-N 0 0 311.768 4.129 20 10 DICDRN CC1=C(C)C[C@@H](C(=O)NCc2c(O)ccc3ccccc32)CC1 ZINC001157051373 1047733454 /nfs/dbraw/zinc/73/34/54/1047733454.db2.gz UQMCPMMZAXEWEF-INIZCTEOSA-N 0 0 309.409 4.298 20 10 DICDRN C[C@@H]1CC[C@@H](C(=O)NCc2c(O)ccc3ccccc32)C[C@@H]1C ZINC001157041543 1047733869 /nfs/dbraw/zinc/73/38/69/1047733869.db2.gz ISYAIWWTWODNBZ-IJEWVQPXSA-N 0 0 311.425 4.234 20 10 DICDRN Cc1ccnc(NCc2cc(Cl)c3cccnc3c2O)c1F ZINC001157726327 1047750491 /nfs/dbraw/zinc/75/04/91/1047750491.db2.gz LCECIETZCCUKDA-UHFFFAOYSA-N 0 0 317.751 4.048 20 10 DICDRN Oc1c(CNc2cccc(Cl)n2)cc(Cl)c2cccnc12 ZINC001157723970 1047750793 /nfs/dbraw/zinc/75/07/93/1047750793.db2.gz HCIJQDRCYCYWGI-UHFFFAOYSA-N 0 0 320.179 4.254 20 10 DICDRN Oc1c(CNc2ccc(Cl)cn2)cc(Cl)c2cccnc12 ZINC001157724954 1047751027 /nfs/dbraw/zinc/75/10/27/1047751027.db2.gz ZGYDESCBPWPBFP-UHFFFAOYSA-N 0 0 320.179 4.254 20 10 DICDRN FC(F)(F)Oc1cc(Nc2ccc3c(c2)CCCN3)ccn1 ZINC001159372248 1047836305 /nfs/dbraw/zinc/83/63/05/1047836305.db2.gz NHVMYCBZFFSHQG-UHFFFAOYSA-N 0 0 309.291 4.082 20 10 DICDRN Nc1ccc(Cc2ccccc2Nc2cnn(CC3CC3)c2)cc1 ZINC001174470042 1047847393 /nfs/dbraw/zinc/84/73/93/1047847393.db2.gz RIRFSKAHNUTCHA-UHFFFAOYSA-N 0 0 318.424 4.210 20 10 DICDRN Cc1cn(-c2ccc(Nc3ccc4c(c3)CCCN4)cc2)cn1 ZINC001159454631 1047848427 /nfs/dbraw/zinc/84/84/27/1047848427.db2.gz DTPGEBPESJIWQY-UHFFFAOYSA-N 0 0 304.397 4.282 20 10 DICDRN Nc1ccc(Nc2ccc3ncc(Br)cc3c2)cc1 ZINC001159470560 1047850668 /nfs/dbraw/zinc/85/06/68/1047850668.db2.gz IHAZIBPCYHIYAV-UHFFFAOYSA-N 0 0 314.186 4.323 20 10 DICDRN CC(C)CNC(=O)c1cccc(Nc2ccc3c(c2)CCCN3)c1 ZINC001159714085 1047907035 /nfs/dbraw/zinc/90/70/35/1047907035.db2.gz WDGKTUNSVWJWBB-UHFFFAOYSA-N 0 0 323.440 4.174 20 10 DICDRN C[C@@H]1CCC[C@H](C2CN(Cc3cc(F)c(N(C)C)cc3F)C2)C1 ZINC001183442860 1047927833 /nfs/dbraw/zinc/92/78/33/1047927833.db2.gz GYZVSCLRWXGRPC-KGLIPLIRSA-N 0 0 322.443 4.289 20 10 DICDRN C[C@@H]1CCC[C@@H](C2CN(Cc3cc(F)c(N(C)C)cc3F)C2)C1 ZINC001183442862 1047928057 /nfs/dbraw/zinc/92/80/57/1047928057.db2.gz GYZVSCLRWXGRPC-ZIAGYGMSSA-N 0 0 322.443 4.289 20 10 DICDRN CCCCN(C(=O)c1ccc(C)c(O)c1O)[C@H]1CCC[C@@H](C)C1 ZINC001159889991 1047942246 /nfs/dbraw/zinc/94/22/46/1047942246.db2.gz CHLCSGQDIWSZNH-HIFRSBDPSA-N 0 0 319.445 4.227 20 10 DICDRN COc1cnc2c(cccc2Nc2ccc3c(c2)CCCN3)c1 ZINC001159954343 1047956682 /nfs/dbraw/zinc/95/66/82/1047956682.db2.gz TXBMRKFYIWAEBP-UHFFFAOYSA-N 0 0 305.381 4.345 20 10 DICDRN CCOC(=O)CCc1ccc(Nc2ccc3c(c2)CCCN3)cc1 ZINC001159964862 1047960632 /nfs/dbraw/zinc/96/06/32/1047960632.db2.gz DOXDVNKVQIFLQU-UHFFFAOYSA-N 0 0 324.424 4.284 20 10 DICDRN CC(C)(C)c1ccc(NC(=S)NCc2ccccc2O)cc1 ZINC001198498053 1047965831 /nfs/dbraw/zinc/96/58/31/1047965831.db2.gz XTABUFUALZSHGS-UHFFFAOYSA-N 0 0 314.454 4.176 20 10 DICDRN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C(C)(C)C)C2)c1[O-] ZINC000160741010 1047967719 /nfs/dbraw/zinc/96/77/19/1047967719.db2.gz IDFDJGWMVCFGBG-ZDUSSCGKSA-N 0 0 309.837 4.116 20 10 DICDRN COc1ccc(N(c2ccc(N)cc2)c2cncc(C)c2)cc1 ZINC001174757560 1047979002 /nfs/dbraw/zinc/97/90/02/1047979002.db2.gz ALNUDFOKWDBIFD-UHFFFAOYSA-N 0 0 305.381 4.451 20 10 DICDRN O=C(Nc1cccc(N2CCCC2)c1)c1ccc(Cl)cc1 ZINC000030827923 1047984913 /nfs/dbraw/zinc/98/49/13/1047984913.db2.gz PPQIYEWLYWKGPH-UHFFFAOYSA-N 0 0 300.789 4.193 20 10 DICDRN Cc1cccc(NC(=S)NCc2cc3ccccc3cn2)c1 ZINC001198699907 1047993828 /nfs/dbraw/zinc/99/38/28/1047993828.db2.gz HPLDELXGVSTXTA-UHFFFAOYSA-N 0 0 307.422 4.030 20 10 DICDRN Cc1c[nH]c2nc(NCc3cc4ccccc4cc3O)ccc12 ZINC001160206910 1047995235 /nfs/dbraw/zinc/99/52/35/1047995235.db2.gz OAMMRELWSLBYPM-UHFFFAOYSA-N 0 0 303.365 4.342 20 10 DICDRN CC(C)(C)c1ccc(NCc2cc3ccccc3cc2O)nn1 ZINC001160206568 1047996156 /nfs/dbraw/zinc/99/61/56/1047996156.db2.gz KNUOSYXHZKVATG-UHFFFAOYSA-N 0 0 307.397 4.245 20 10 DICDRN Nc1ccc(N(c2ccc(N)cc2)c2ccc3c(c2)OCO3)cc1 ZINC001174867368 1048008448 /nfs/dbraw/zinc/00/84/48/1048008448.db2.gz HUEVXSDRCCXOHB-UHFFFAOYSA-N 0 0 319.364 4.050 20 10 DICDRN Nc1ccc(Nc2cc(Cl)ccc2C(=O)C(F)(F)F)cc1 ZINC001160250871 1048010125 /nfs/dbraw/zinc/01/01/25/1048010125.db2.gz WUFVLVRYZYEWSQ-UHFFFAOYSA-N 0 0 314.694 4.411 20 10 DICDRN COc1ccc(N(CCSC)Cc2ccccc2)cc1OC ZINC001198838474 1048014250 /nfs/dbraw/zinc/01/42/50/1048014250.db2.gz ZRBLXDBZDSEJJV-UHFFFAOYSA-N 0 0 317.454 4.073 20 10 DICDRN Cc1ncccc1C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203585304 1048020417 /nfs/dbraw/zinc/02/04/17/1048020417.db2.gz GLAGCESSWDPEET-UHFFFAOYSA-N 0 0 311.212 4.034 20 10 DICDRN Nc1cc(Nc2ccc3c(c2)CCCN3)ccc1Br ZINC001160303548 1048027264 /nfs/dbraw/zinc/02/72/64/1048027264.db2.gz GPQFCZKMBPWMFB-UHFFFAOYSA-N 0 0 318.218 4.133 20 10 DICDRN CC1(C)CCNc2cc(Nc3ccc4c(c3)OCCN4)ccc21 ZINC001160321874 1048032403 /nfs/dbraw/zinc/03/24/03/1048032403.db2.gz MGOWPMYFYRPCOT-UHFFFAOYSA-N 0 0 309.413 4.328 20 10 DICDRN CC1(C)CCNc2ccc(Nc3ccc(-n4ccnn4)cc3)cc21 ZINC001160332972 1048036424 /nfs/dbraw/zinc/03/64/24/1048036424.db2.gz XPDHNBUBZIBJFN-UHFFFAOYSA-N 0 0 319.412 4.104 20 10 DICDRN CC1(C)CCNc2ccc(Nc3ccc4c(c3)OCCO4)cc21 ZINC001160332407 1048036451 /nfs/dbraw/zinc/03/64/51/1048036451.db2.gz NRMPPYQBCIDTQH-UHFFFAOYSA-N 0 0 310.397 4.295 20 10 DICDRN Cc1ccc(N(c2ccc(N)cc2)c2ccc(N)cc2)cc1N ZINC001174938191 1048039178 /nfs/dbraw/zinc/03/91/78/1048039178.db2.gz IISOBLLRWPQMFB-UHFFFAOYSA-N 0 0 304.397 4.211 20 10 DICDRN CCN(Cc1ccccc1O)C(=O)Nc1c(C)cccc1Cl ZINC001184521328 1048047081 /nfs/dbraw/zinc/04/70/81/1048047081.db2.gz JSAOSUQQKDVLMA-UHFFFAOYSA-N 0 0 318.804 4.408 20 10 DICDRN COc1cc(F)cc(Nc2ccccc2C(=O)c2ccncc2)c1 ZINC001175010157 1048070066 /nfs/dbraw/zinc/07/00/66/1048070066.db2.gz ASUSWZHGEZSNSB-UHFFFAOYSA-N 0 0 322.339 4.204 20 10 DICDRN O=C(NCc1ccccc1O)C1(CC2CC2)CCC(F)(F)CC1 ZINC001184665744 1048076956 /nfs/dbraw/zinc/07/69/56/1048076956.db2.gz YYYDYJDVLTWAII-UHFFFAOYSA-N 0 0 323.383 4.004 20 10 DICDRN Cc1cc(C)c(CNc2ncnc3c(Cl)cccc23)c(O)c1 ZINC001160808707 1048085615 /nfs/dbraw/zinc/08/56/15/1048085615.db2.gz ZNBXKXKYQMYCGW-UHFFFAOYSA-N 0 0 313.788 4.218 20 10 DICDRN Cc1cc(C)c(CNc2nc3[nH]ccc3cc2Cl)c(O)c1 ZINC001160810548 1048086279 /nfs/dbraw/zinc/08/62/79/1048086279.db2.gz SCZFHXLVIHKRLH-UHFFFAOYSA-N 0 0 301.777 4.102 20 10 DICDRN Cc1cc(C)c(CNc2nnc(Cl)c3ccccc32)c(O)c1 ZINC001160807770 1048086339 /nfs/dbraw/zinc/08/63/39/1048086339.db2.gz CSMULKIVVTVAII-UHFFFAOYSA-N 0 0 313.788 4.218 20 10 DICDRN Cc1cc(C)c(CNc2nc(C)nc3ccc(F)cc32)c(O)c1 ZINC001160807717 1048086405 /nfs/dbraw/zinc/08/64/05/1048086405.db2.gz AFDDQJIJRQTCKH-UHFFFAOYSA-N 0 0 311.360 4.012 20 10 DICDRN Cc1cc(C)c(CNc2cnc3ccc(Cl)cc3n2)c(O)c1 ZINC001160810116 1048086506 /nfs/dbraw/zinc/08/65/06/1048086506.db2.gz JQHQERYPLZQPCM-UHFFFAOYSA-N 0 0 313.788 4.218 20 10 DICDRN CCCCC1CCC(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC001199732318 1048093523 /nfs/dbraw/zinc/09/35/23/1048093523.db2.gz IJZNDFSLCRUDDP-UHFFFAOYSA-N 0 0 320.433 4.387 20 10 DICDRN Cc1ncnc(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c1C ZINC001184917033 1048103091 /nfs/dbraw/zinc/10/30/91/1048103091.db2.gz USVGWFVKDUUZTG-UHFFFAOYSA-N 0 0 322.387 4.008 20 10 DICDRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001199905495 1048113125 /nfs/dbraw/zinc/11/31/25/1048113125.db2.gz AZOQJGKTBVIBBX-WWGRRREGSA-N 0 0 311.416 4.468 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000776043766 1048128951 /nfs/dbraw/zinc/12/89/51/1048128951.db2.gz WXMDPTBOXXPIKN-OAHLLOKOSA-N 0 0 321.779 4.188 20 10 DICDRN CC1(CC(=O)N(Cc2ccccc2)c2ccc(N)cc2)CCC1 ZINC001185103162 1048129024 /nfs/dbraw/zinc/12/90/24/1048129024.db2.gz GGIJWDWMEVGWSJ-UHFFFAOYSA-N 0 0 308.425 4.382 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1ccc2ccccc2n1 ZINC000776087428 1048141312 /nfs/dbraw/zinc/14/13/12/1048141312.db2.gz VMXAKIJVOLFWMY-UHFFFAOYSA-N 0 0 316.763 4.023 20 10 DICDRN CCOc1cc(N(C)c2ccc(N)cc2)cc(C(F)(F)F)c1 ZINC001175140552 1048163375 /nfs/dbraw/zinc/16/33/75/1048163375.db2.gz QFDJGMCNLLHYOY-UHFFFAOYSA-N 0 0 310.319 4.454 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(F)s1 ZINC000822898186 1048183016 /nfs/dbraw/zinc/18/30/16/1048183016.db2.gz JNUPZFLCIZLWCY-UHFFFAOYSA-N 0 0 320.433 4.004 20 10 DICDRN COc1c(O)c(CNc2cccc(C(C)C)c2)ccc1[N+](=O)[O-] ZINC000774914367 1048213112 /nfs/dbraw/zinc/21/31/12/1048213112.db2.gz HRHGUZMWKRLBSB-UHFFFAOYSA-N 0 0 316.357 4.045 20 10 DICDRN CN(C)c1ccc(N(c2ccccc2)c2ccc(N)cc2)cn1 ZINC001175345282 1048252590 /nfs/dbraw/zinc/25/25/90/1048252590.db2.gz VNIWUYWVXXJODC-UHFFFAOYSA-N 0 0 304.397 4.200 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]CCc1ccc(F)cc1Cl ZINC000776174198 1048270239 /nfs/dbraw/zinc/27/02/39/1048270239.db2.gz KNBJGQDHWHMZCN-UHFFFAOYSA-N 0 0 314.187 4.170 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000797066576 1048271261 /nfs/dbraw/zinc/27/12/61/1048271261.db2.gz RTEFWPGTAOTMBR-JFUSQASVSA-N 0 0 320.285 4.491 20 10 DICDRN CCOC(=O)c1ccc(N)c(Nc2ccc(NC(C)C)cc2)c1 ZINC001201497108 1048283911 /nfs/dbraw/zinc/28/39/11/1048283911.db2.gz CUOAZZNXSDGHOB-UHFFFAOYSA-N 0 0 313.401 4.009 20 10 DICDRN CC(C)Nc1ccc(Nc2ccc(N3CCOCC3)cc2)cc1 ZINC001201497684 1048284187 /nfs/dbraw/zinc/28/41/87/1048284187.db2.gz JZUIXQODZQCHIW-UHFFFAOYSA-N 0 0 311.429 4.087 20 10 DICDRN COC(=O)c1cc(Nc2ccc(NC(C)C)cc2)c(F)cc1F ZINC001201497830 1048284313 /nfs/dbraw/zinc/28/43/13/1048284313.db2.gz NAYJQYCCXSALBR-UHFFFAOYSA-N 0 0 320.339 4.315 20 10 DICDRN CCN1Cc2cc(Nc3ccc(NC(C)C)cc3)ccc2C1=O ZINC001201497165 1048284333 /nfs/dbraw/zinc/28/43/33/1048284333.db2.gz DOVLMMIWRHOYTM-UHFFFAOYSA-N 0 0 309.413 4.226 20 10 DICDRN CC(C)Nc1ccc(Nc2c(F)c(F)c(N)c(F)c2F)cc1 ZINC001201496993 1048284600 /nfs/dbraw/zinc/28/46/00/1048284600.db2.gz BZFKGCDSPCUQIS-UHFFFAOYSA-N 0 0 313.298 4.389 20 10 DICDRN CC(C)Nc1ccc(Nc2cccc(Cn3cccn3)c2)cc1 ZINC001201497874 1048284852 /nfs/dbraw/zinc/28/48/52/1048284852.db2.gz LHHFEVPYYWDVAW-UHFFFAOYSA-N 0 0 306.413 4.495 20 10 DICDRN COC(=O)c1ccc(OC)c(Nc2ccc(NC(C)C)cc2)c1 ZINC001201497147 1048285269 /nfs/dbraw/zinc/28/52/69/1048285269.db2.gz DCZVZINLSBRCOY-UHFFFAOYSA-N 0 0 314.385 4.046 20 10 DICDRN COC(=O)c1cc(OC)ccc1Nc1ccc(NC(C)C)cc1 ZINC001201498389 1048286289 /nfs/dbraw/zinc/28/62/89/1048286289.db2.gz WVJJQNLAURBYDW-UHFFFAOYSA-N 0 0 314.385 4.046 20 10 DICDRN CC(C)Nc1ccc(Nc2ccc(C(=O)CCCO)cc2)cc1 ZINC001201504680 1048289129 /nfs/dbraw/zinc/28/91/29/1048289129.db2.gz HFXCBILWPSQJIB-UHFFFAOYSA-N 0 0 312.413 4.206 20 10 DICDRN CC(C)Nc1ccc(Nc2ccc3c(c2)C(=O)NCC3(C)C)cc1 ZINC001201505836 1048291119 /nfs/dbraw/zinc/29/11/19/1048291119.db2.gz RGYABJNDUISJBV-UHFFFAOYSA-N 0 0 323.440 4.272 20 10 DICDRN Nc1ccc(Cc2ccc(Nc3cccc(CO)c3)cc2)cc1 ZINC001175514060 1048347880 /nfs/dbraw/zinc/34/78/80/1048347880.db2.gz JXJPYECHUDGJNJ-UHFFFAOYSA-N 0 0 304.393 4.096 20 10 DICDRN Nc1ccc(CNc2nnc(Cl)c3ccc(Cl)cc32)cc1 ZINC001162786937 1048359363 /nfs/dbraw/zinc/35/93/63/1048359363.db2.gz CUNWXOPWJQGSLX-UHFFFAOYSA-N 0 0 319.195 4.131 20 10 DICDRN Cc1cccc(Sc2cncc(NCc3ccc(N)cc3)n2)c1 ZINC001162786941 1048360081 /nfs/dbraw/zinc/36/00/81/1048360081.db2.gz CVFFRQOSWDDLLS-UHFFFAOYSA-N 0 0 322.437 4.131 20 10 DICDRN O=C(c1ccccc1)c1ccccc1Nc1cnn(C(F)F)c1 ZINC001201736084 1048372239 /nfs/dbraw/zinc/37/22/39/1048372239.db2.gz ARDCSGHAULMLEZ-UHFFFAOYSA-N 0 0 313.307 4.253 20 10 DICDRN Cc1cc(Sc2ncc(Cl)s2)nc(-c2cccnc2)n1 ZINC001187174678 1048382958 /nfs/dbraw/zinc/38/29/58/1048382958.db2.gz QXXUJYRJIARTLV-UHFFFAOYSA-N 0 0 320.830 4.108 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000776222674 1048392563 /nfs/dbraw/zinc/39/25/63/1048392563.db2.gz QJQRQEMWQKQZAM-INIZCTEOSA-N 0 0 319.857 4.166 20 10 DICDRN CC[C@H](NC1(C(F)F)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810240807 1048399612 /nfs/dbraw/zinc/39/96/12/1048399612.db2.gz GLSRZOXKCJUFAG-JTQLQIEISA-N 0 0 309.278 4.249 20 10 DICDRN C[C@@H](Nc1nc2ccccc2nc1F)c1ccc(N(C)C)cc1 ZINC001163099200 1048415468 /nfs/dbraw/zinc/41/54/68/1048415468.db2.gz DSJAJIPPIIADQF-GFCCVEGCSA-N 0 0 310.376 4.008 20 10 DICDRN C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@H]1Oc2ccccc2[C@@H]1C ZINC000776230538 1048419666 /nfs/dbraw/zinc/41/96/66/1048419666.db2.gz KRMQZPCXOZBFKD-OAVHHTNSSA-N 0 0 317.816 4.088 20 10 DICDRN CC(C)[C@@H]1CCCCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776245126 1048456925 /nfs/dbraw/zinc/45/69/25/1048456925.db2.gz MGFPRAGSCDZPHO-QAPCUYQASA-N 0 0 317.477 4.034 20 10 DICDRN CN(c1ccc(N)cc1)c1cccnc1OCc1ccccc1 ZINC001175878223 1048469498 /nfs/dbraw/zinc/46/94/98/1048469498.db2.gz ZSIUZUOBCUCBJC-UHFFFAOYSA-N 0 0 305.381 4.011 20 10 DICDRN CSc1cccc(NC(=O)NCc2c(C)cc(C)cc2O)c1 ZINC001188067078 1048471612 /nfs/dbraw/zinc/47/16/12/1048471612.db2.gz MWQPAVCEJVHADK-UHFFFAOYSA-N 0 0 316.426 4.053 20 10 DICDRN CC[C@@]1(C)CCCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000776248285 1048471920 /nfs/dbraw/zinc/47/19/20/1048471920.db2.gz XLEHDBYJWHWNKV-BEFAXECRSA-N 0 0 317.477 4.035 20 10 DICDRN CC[C@H]1CCCCCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776248479 1048472075 /nfs/dbraw/zinc/47/20/75/1048472075.db2.gz JCQBQVYOXHDFML-WBVHZDCISA-N 0 0 317.477 4.178 20 10 DICDRN CC1(C)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001163480652 1048475380 /nfs/dbraw/zinc/47/53/80/1048475380.db2.gz KZOPAQLXZSRVME-INIZCTEOSA-N 0 0 310.353 4.036 20 10 DICDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2Nc1cc(C2CC2)ncn1 ZINC001163487447 1048477097 /nfs/dbraw/zinc/47/70/97/1048477097.db2.gz OWRGUOIZUABQBB-IBGZPJMESA-N 0 0 323.440 4.412 20 10 DICDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2Nc1ccc(Cl)nn1 ZINC001163486171 1048477264 /nfs/dbraw/zinc/47/72/64/1048477264.db2.gz DSXNWKKUOQTLLI-MRXNPFEDSA-N 0 0 317.820 4.188 20 10 DICDRN Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1ncc(Cl)s1 ZINC001163524729 1048483731 /nfs/dbraw/zinc/48/37/31/1048483731.db2.gz XZRNRGWGYVWLQX-LLVKDONJSA-N 0 0 309.866 4.214 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000776257520 1048487851 /nfs/dbraw/zinc/48/78/51/1048487851.db2.gz YDKDVYNAFNJTHE-GDBMZVCRSA-N 0 0 301.817 4.472 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCCC1CC1 ZINC001163683444 1048504490 /nfs/dbraw/zinc/50/44/90/1048504490.db2.gz JACICJJVMGTNSE-UHFFFAOYSA-N 0 0 310.441 4.323 20 10 DICDRN COc1ccc(N(c2ccccc2)c2ccc(N)cc2)cc1CO ZINC001175987132 1048517568 /nfs/dbraw/zinc/51/75/68/1048517568.db2.gz RIHFKNHJODAMAC-UHFFFAOYSA-N 0 0 320.392 4.240 20 10 DICDRN Cc1cccc(NC(=O)NCc2cc3ccccc3cc2O)c1 ZINC001202320618 1048523286 /nfs/dbraw/zinc/52/32/86/1048523286.db2.gz CPWWMJGCYWVBIW-UHFFFAOYSA-N 0 0 306.365 4.176 20 10 DICDRN C[C@@H](Nc1ccnc(Cc2ccc(F)cc2)n1)c1ccccc1O ZINC001163936150 1048553711 /nfs/dbraw/zinc/55/37/11/1048553711.db2.gz WXSRYRWCCBQLFN-CYBMUJFWSA-N 0 0 323.371 4.085 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1CNc1ccc2c([nH+]1)CCC2 ZINC001202444184 1048553918 /nfs/dbraw/zinc/55/39/18/1048553918.db2.gz DEXICKGBCMQBKD-UHFFFAOYSA-N 0 0 309.196 4.195 20 10 DICDRN CC(C)(C)c1cnc(SCC[C@H]2COC(C)(C)O2)s1 ZINC001188941874 1048569030 /nfs/dbraw/zinc/56/90/30/1048569030.db2.gz OWTCVVFRJRWZJP-JTQLQIEISA-N 0 0 301.477 4.074 20 10 DICDRN COC(=O)c1cnc(SCc2ccc(CC(C)C)cc2)s1 ZINC001189407586 1048625078 /nfs/dbraw/zinc/62/50/78/1048625078.db2.gz FGGXBDNSGQINKQ-UHFFFAOYSA-N 0 0 321.467 4.421 20 10 DICDRN CSCC1(CC[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000850356820 1048636877 /nfs/dbraw/zinc/63/68/77/1048636877.db2.gz XWOQHAKLHWXXNP-UHFFFAOYSA-N 0 0 320.285 4.322 20 10 DICDRN Nc1ccc(Cc2ccccc2Nc2ccc3nonc3c2)cc1 ZINC001176328555 1048628445 /nfs/dbraw/zinc/62/84/45/1048628445.db2.gz UIACOIZCOUGUQT-UHFFFAOYSA-N 0 0 316.364 4.139 20 10 DICDRN COc1cc(CNc2ccn(C(C)C)n2)c(O)c(C(C)(C)C)c1 ZINC000850283343 1048630694 /nfs/dbraw/zinc/63/06/94/1048630694.db2.gz ZYRAPHCCHWMEET-UHFFFAOYSA-N 0 0 317.433 4.088 20 10 DICDRN CC[C@H]([NH2+]C[C@@H](C)c1ccccn1)c1cccc(Cl)c1[O-] ZINC000850480697 1048669377 /nfs/dbraw/zinc/66/93/77/1048669377.db2.gz CASNISSEUOVKDI-DOMZBBRYSA-N 0 0 304.821 4.285 20 10 DICDRN CC[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1cccc(Cl)c1[O-] ZINC000850480701 1048669392 /nfs/dbraw/zinc/66/93/92/1048669392.db2.gz CASNISSEUOVKDI-SWLSCSKDSA-N 0 0 304.821 4.285 20 10 DICDRN COc1ccc(O)c([C@H](C)Nc2cc(C)c(C)cc2OC)c1 ZINC000850500358 1048671391 /nfs/dbraw/zinc/67/13/91/1048671391.db2.gz CRSUQXYDXLNYHQ-ZDUSSCGKSA-N 0 0 301.386 4.199 20 10 DICDRN C[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000850525772 1048678541 /nfs/dbraw/zinc/67/85/41/1048678541.db2.gz QRXSERDNBGWHHI-NXEZZACHSA-N 0 0 316.228 4.061 20 10 DICDRN C[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000850536598 1048685327 /nfs/dbraw/zinc/68/53/27/1048685327.db2.gz LNXQJIKQCYXBMS-UFBFGSQYSA-N 0 0 309.278 4.107 20 10 DICDRN Oc1cccc2c1[C@H](Nc1ccc(O[C@H]3CC3(F)F)cc1)CC2 ZINC000850564943 1048694980 /nfs/dbraw/zinc/69/49/80/1048694980.db2.gz YQCLNGZAWGQYJG-ZBFHGGJFSA-N 0 0 317.335 4.278 20 10 DICDRN CC[C@H]([NH2+]CCC1SCCS1)c1cccc(Cl)c1[O-] ZINC000850568788 1048695832 /nfs/dbraw/zinc/69/58/32/1048695832.db2.gz JPFWPXMUZBKRLU-LBPRGKRZSA-N 0 0 317.907 4.283 20 10 DICDRN C[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000850571278 1048698310 /nfs/dbraw/zinc/69/83/10/1048698310.db2.gz OXNBURNMMVNGPD-NXEZZACHSA-N 0 0 318.244 4.165 20 10 DICDRN C[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000850571280 1048698340 /nfs/dbraw/zinc/69/83/40/1048698340.db2.gz OXNBURNMMVNGPD-VHSXEESVSA-N 0 0 318.244 4.165 20 10 DICDRN Cc1ccc(N(C)C(=O)/C=C/c2cnccc2C)cc1Cl ZINC000783992626 1048726708 /nfs/dbraw/zinc/72/67/08/1048726708.db2.gz DUALHKACNBYXHF-FNORWQNLSA-N 0 0 300.789 4.028 20 10 DICDRN COC(=O)c1cnc(SCc2c(C)cccc2Cl)s1 ZINC001166233914 1048739856 /nfs/dbraw/zinc/73/98/56/1048739856.db2.gz CZXSUIUTAWMQRL-UHFFFAOYSA-N 0 0 313.831 4.184 20 10 DICDRN CCOC(=O)CC(C)(C)CCSc1ncc(Cl)s1 ZINC001166595256 1048767905 /nfs/dbraw/zinc/76/79/05/1048767905.db2.gz RUXKRKKROPXAPF-UHFFFAOYSA-N 0 0 307.868 4.258 20 10 DICDRN Cc1nc(CN(Cc2ccccc2O)[C@@H](C)c2ccccc2)co1 ZINC000851879767 1048809223 /nfs/dbraw/zinc/80/92/23/1048809223.db2.gz PGBNXXUYWJADJQ-HNNXBMFYSA-N 0 0 322.408 4.452 20 10 DICDRN Cc1cc(C)cc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775429453 1048836381 /nfs/dbraw/zinc/83/63/81/1048836381.db2.gz XSOWNTWXOFLVRP-HNNXBMFYSA-N 0 0 311.429 4.252 20 10 DICDRN Cc1ccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775433804 1048843492 /nfs/dbraw/zinc/84/34/92/1048843492.db2.gz FRMMLYLCZGRAIC-LBPRGKRZSA-N 0 0 303.431 4.005 20 10 DICDRN CC(C)C[C@@H]1CCCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773624514 1048846128 /nfs/dbraw/zinc/84/61/28/1048846128.db2.gz NNPWTAVGZHLIDO-QAPCUYQASA-N 0 0 317.477 4.034 20 10 DICDRN C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccc2c(c1)CCCO2 ZINC000853239466 1048889457 /nfs/dbraw/zinc/88/94/57/1048889457.db2.gz BNLYFYPNSZCEMD-STQMWFEESA-N 0 0 315.388 4.268 20 10 DICDRN C[N@H+](Cc1ccc(F)cc1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203571257 1048933288 /nfs/dbraw/zinc/93/32/88/1048933288.db2.gz KZFPSEKWBLSCBE-UHFFFAOYSA-N 0 0 314.187 4.470 20 10 DICDRN C[C@H](O)C1(NC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000854173543 1048947762 /nfs/dbraw/zinc/94/77/62/1048947762.db2.gz NPEBNNSSTGKCSC-ZDUSSCGKSA-N 0 0 324.384 4.137 20 10 DICDRN Cc1cc(CC(=O)N2CC[C@H](C(C)C)C2)c(C)n1-c1ccccc1 ZINC001126985581 1048955758 /nfs/dbraw/zinc/95/57/58/1048955758.db2.gz IYJJFVBZUSSQHL-SFHVURJKSA-N 0 0 324.468 4.141 20 10 DICDRN CCN(Cc1cc(OC)ccc1O)Cc1c(F)cccc1Cl ZINC001203680228 1048958866 /nfs/dbraw/zinc/95/88/66/1048958866.db2.gz MVBMQZJMHWTJLH-UHFFFAOYSA-N 0 0 323.795 4.215 20 10 DICDRN C(=C\c1ccccc1)\CN(CC1CC1)c1ccc2c(c1)OCCO2 ZINC001191581211 1048959932 /nfs/dbraw/zinc/95/99/32/1048959932.db2.gz FEGLYYQSSNDFBR-DAXSKMNVSA-N 0 0 321.420 4.388 20 10 DICDRN Cc1ncsc1/C=C\C(=O)N(C)c1ccc2ccccc2c1 ZINC000776745610 1048975591 /nfs/dbraw/zinc/97/55/91/1048975591.db2.gz ZMKAWPUGHNSIII-KTKRTIGZSA-N 0 0 308.406 4.281 20 10 DICDRN CC[C@H](Nc1ccc(OC)cc1OC)c1ccc(N(C)C)cc1 ZINC000776752882 1048985163 /nfs/dbraw/zinc/98/51/63/1048985163.db2.gz KXMZLOZUAQJRQE-KRWDZBQOSA-N 0 0 314.429 4.333 20 10 DICDRN CC[C@H]([NH2+]CCN(CC)CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775483099 1049002534 /nfs/dbraw/zinc/00/25/34/1049002534.db2.gz KTLLYJGYSITDLM-ZDUSSCGKSA-N 0 0 319.276 4.082 20 10 DICDRN CC[C@H]([NH2+]CCc1ccc(OC(F)F)cc1)c1ccccc1O ZINC000775485402 1049004206 /nfs/dbraw/zinc/00/42/06/1049004206.db2.gz TWGCCLNNSWNRNM-INIZCTEOSA-N 0 0 321.367 4.277 20 10 DICDRN COc1ccc(N(CCCSC)CCc2ccccc2)cc1 ZINC001191892599 1049016319 /nfs/dbraw/zinc/01/63/19/1049016319.db2.gz ZKTKMHOBMIIVIF-UHFFFAOYSA-N 0 0 315.482 4.497 20 10 DICDRN CC(C)n1ccc(Nc2ccccc2C(=O)c2ccncc2)c1 ZINC001203172456 1049017945 /nfs/dbraw/zinc/01/79/45/1049017945.db2.gz MTZZAPBKDXWSMD-UHFFFAOYSA-N 0 0 305.381 4.439 20 10 DICDRN Cc1ccc(N(CC(C)C)C(=O)/C=C\c2cncc(C)c2)cc1 ZINC001276425985 1049019592 /nfs/dbraw/zinc/01/95/92/1049019592.db2.gz LFMWHJNEXROUAA-YFHOEESVSA-N 0 0 308.425 4.401 20 10 DICDRN CC[C@@H]([NH2+]CC(O)(CC)CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775498149 1049031458 /nfs/dbraw/zinc/03/14/58/1049031458.db2.gz XMYVECHQBGVPGS-GFCCVEGCSA-N 0 0 320.260 4.291 20 10 DICDRN CC[C@H](Nc1ccc(OC)c(F)c1)c1ccc(N(C)C)cc1 ZINC000776812320 1049035455 /nfs/dbraw/zinc/03/54/55/1049035455.db2.gz YWQVDMGALZGFJK-KRWDZBQOSA-N 0 0 302.393 4.464 20 10 DICDRN COc1ccc(N(CC[C@@H]2CCCO2)Cc2ccccc2)cc1 ZINC001192061108 1049038421 /nfs/dbraw/zinc/03/84/21/1049038421.db2.gz JTQBZOFXDGKOBW-FQEVSTJZSA-N 0 0 311.425 4.271 20 10 DICDRN CC[C@H]([NH2+][C@H](COC)C(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775510254 1049042519 /nfs/dbraw/zinc/04/25/19/1049042519.db2.gz YTESQKKTLXWQIT-QWHCGFSZSA-N 0 0 320.260 4.411 20 10 DICDRN CCC[C@](C)(O)C[NH2+][C@@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775504113 1049044289 /nfs/dbraw/zinc/04/42/89/1049044289.db2.gz TWABYHXLZWBQEP-WFASDCNBSA-N 0 0 320.260 4.291 20 10 DICDRN CC[C@@H]([NH2+]C[C@]1(C)CCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775503639 1049047113 /nfs/dbraw/zinc/04/71/13/1049047113.db2.gz LITSOXJJTMNCSG-DOMZBBRYSA-N 0 0 318.244 4.166 20 10 DICDRN CC[C@H]([NH2+]C[C@@]1(C)CCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775503641 1049047676 /nfs/dbraw/zinc/04/76/76/1049047676.db2.gz LITSOXJJTMNCSG-SWLSCSKDSA-N 0 0 318.244 4.166 20 10 DICDRN COc1ccc(N(Cc2csc(Cl)n2)C(C)C)cc1F ZINC001192139938 1049048885 /nfs/dbraw/zinc/04/88/85/1049048885.db2.gz NEHZRQGECQPTKI-UHFFFAOYSA-N 0 0 314.813 4.359 20 10 DICDRN C/C=C(C)/C=C/C(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001178516839 1049050055 /nfs/dbraw/zinc/05/00/55/1049050055.db2.gz UPITWODYKMWTSC-CBBUAWAMSA-N 0 0 313.441 4.271 20 10 DICDRN CC[C@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775513873 1049056582 /nfs/dbraw/zinc/05/65/82/1049056582.db2.gz VPIIFMGTKNOFDE-SWLSCSKDSA-N 0 0 318.244 4.309 20 10 DICDRN CC(C)CCn1cccc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC001204002225 1049057423 /nfs/dbraw/zinc/05/74/23/1049057423.db2.gz JJAMBBJZDWARAA-UHFFFAOYSA-N 0 0 306.837 4.183 20 10 DICDRN CCN(CC)c1ccc(CNc2ccc(OC(F)F)nc2)cc1 ZINC001178556532 1049060329 /nfs/dbraw/zinc/06/03/29/1049060329.db2.gz AWGSENAVHUGJFT-UHFFFAOYSA-N 0 0 321.371 4.141 20 10 DICDRN CC[C@@H]([NH2+][C@@H](CC)C1CCOCC1)c1cc(Cl)ccc1O ZINC000775514380 1049061141 /nfs/dbraw/zinc/06/11/41/1049061141.db2.gz ZRUVZPQYNSBTQO-JKSUJKDBSA-N 0 0 311.853 4.292 20 10 DICDRN Cc1ccc(CCC(=O)NCc2ccccc2O)c2ccccc12 ZINC001178598547 1049065619 /nfs/dbraw/zinc/06/56/19/1049065619.db2.gz HEHVCWYWJMRWDX-UHFFFAOYSA-N 0 0 319.404 4.103 20 10 DICDRN CCCCCC[C@H](C)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000773763671 1049074556 /nfs/dbraw/zinc/07/45/56/1049074556.db2.gz XVRRLRASSCUBFD-GJZGRUSLSA-N 0 0 321.461 4.142 20 10 DICDRN Cc1cc(C)cc(C2CCN(C(=O)Nc3ccc(N)cc3)CC2)c1 ZINC000904500692 1049076328 /nfs/dbraw/zinc/07/63/28/1049076328.db2.gz ONZDQUASMRCDOY-UHFFFAOYSA-N 0 0 323.440 4.297 20 10 DICDRN CC[C@H]([NH2+]CCC[C@@H](C)CO)c1ccc(Cl)c(Cl)c1[O-] ZINC000775524263 1049081351 /nfs/dbraw/zinc/08/13/51/1049081351.db2.gz DUFJHVLKGUYLHM-MFKMUULPSA-N 0 0 320.260 4.148 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)c1cn[nH]c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775525457 1049101317 /nfs/dbraw/zinc/10/13/17/1049101317.db2.gz ZMHGVBZHEDUDQP-PRHODGIISA-N 0 0 314.216 4.224 20 10 DICDRN CCN(Cc1ccc(N(C)C)c2ccccc12)CC(F)(F)F ZINC001204240491 1049117924 /nfs/dbraw/zinc/11/79/24/1049117924.db2.gz VFEOVGSWAUUWOY-UHFFFAOYSA-N 0 0 310.363 4.290 20 10 DICDRN CC[C@@H](Nc1cnn(CC(C)C)c1)c1cc(Cl)ccc1O ZINC000775541246 1049125132 /nfs/dbraw/zinc/12/51/32/1049125132.db2.gz VLQMNKSOCXSQRK-OAHLLOKOSA-N 0 0 307.825 4.461 20 10 DICDRN CCC1(C(=O)N[C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)CCC1 ZINC001179026625 1049125154 /nfs/dbraw/zinc/12/51/54/1049125154.db2.gz GFOOGWKBZFVFNH-QGZVFWFLSA-N 0 0 315.457 4.329 20 10 DICDRN CC[N@H+](Cc1ccc(Cl)cc1)Cc1ccc(F)c(F)c1[O-] ZINC001204271033 1049125683 /nfs/dbraw/zinc/12/56/83/1049125683.db2.gz VFHPBMYMORTWND-UHFFFAOYSA-N 0 0 311.759 4.346 20 10 DICDRN C[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000857081154 1049126357 /nfs/dbraw/zinc/12/63/57/1049126357.db2.gz MHKANSQJJWDEQT-BDAKNGLRSA-N 0 0 309.278 4.107 20 10 DICDRN CC[C@H](Nc1cnn(CC2CC2)c1)c1cc(Cl)ccc1O ZINC000775540354 1049129380 /nfs/dbraw/zinc/12/93/80/1049129380.db2.gz IKTPJOSBSFBZOK-HNNXBMFYSA-N 0 0 305.809 4.215 20 10 DICDRN Cc1cc(C(=O)N2CCC[C@@H](C)C2)c(C)n1-c1ccccc1C ZINC000068883118 1049141634 /nfs/dbraw/zinc/14/16/34/1049141634.db2.gz SMEAUAVKYZDUNL-CQSZACIVSA-N 0 0 310.441 4.275 20 10 DICDRN CCCN(CCC)c1ccc(CNc2ccn(CCF)n2)cc1 ZINC001179395978 1049159144 /nfs/dbraw/zinc/15/91/44/1049159144.db2.gz AZFQBRNXYREUNT-UHFFFAOYSA-N 0 0 318.440 4.091 20 10 DICDRN CN(C)c1ccc(/C=C/CN[C@H](CF)c2ccc(F)cc2)cc1 ZINC001179402310 1049159293 /nfs/dbraw/zinc/15/92/93/1049159293.db2.gz RAGRULNDEGYRQR-GNAXCBTBSA-N 0 0 316.395 4.205 20 10 DICDRN Cc1cc(C(=O)NCc2cc(Cl)ccc2O)c(C)cc1Cl ZINC000857548511 1049173195 /nfs/dbraw/zinc/17/31/95/1049173195.db2.gz LZBZBKYPFUBGCK-UHFFFAOYSA-N 0 0 324.207 4.246 20 10 DICDRN C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC001204542905 1049185250 /nfs/dbraw/zinc/18/52/50/1049185250.db2.gz JLJBZWFYJNJVCR-CZUORRHYSA-N 0 0 301.817 4.424 20 10 DICDRN CCc1cccc(CC)c1NC(=O)c1ccc(O)c(O)c1Cl ZINC001193229110 1049191746 /nfs/dbraw/zinc/19/17/46/1049191746.db2.gz FEBYMQCDAOLKFX-UHFFFAOYSA-N 0 0 319.788 4.128 20 10 DICDRN CC(C)(C)c1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC001179687189 1049191992 /nfs/dbraw/zinc/19/19/92/1049191992.db2.gz DZZLPMFISUFNEO-CSKARUKUSA-N 0 0 311.381 4.047 20 10 DICDRN C[C@@H](NC(=O)Nc1cccc2[nH]ccc21)c1ccc(N(C)C)cc1 ZINC000775589951 1049194053 /nfs/dbraw/zinc/19/40/53/1049194053.db2.gz ZUCJOHMVITUQKA-CYBMUJFWSA-N 0 0 322.412 4.117 20 10 DICDRN CC[C@H]1CCCC[C@H]1[N@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC001193462627 1049212058 /nfs/dbraw/zinc/21/20/58/1049212058.db2.gz WVTXJOCJBBNUKM-SUMWQHHRSA-N 0 0 307.409 4.135 20 10 DICDRN Cc1cc(CNC(=O)OC(C)(C)C)c(C)n1-c1cccc(C)c1 ZINC001193464465 1049212498 /nfs/dbraw/zinc/21/24/98/1049212498.db2.gz CFSWAKDLYKALHX-UHFFFAOYSA-N 0 0 314.429 4.427 20 10 DICDRN Cc1cc(C(=O)N[C@H](C)C2(C)CC2)c(C)n1-c1ccccc1C ZINC001179837431 1049214335 /nfs/dbraw/zinc/21/43/35/1049214335.db2.gz WGCLLVPRWWCWPN-MRXNPFEDSA-N 0 0 310.441 4.321 20 10 DICDRN CCc1nc([C@@H](C)NCc2ccc(N(C)CC)cc2)cs1 ZINC000773834878 1049216693 /nfs/dbraw/zinc/21/66/93/1049216693.db2.gz CDYUGRMHHZXAQR-CYBMUJFWSA-N 0 0 303.475 4.012 20 10 DICDRN CC[C@H](C)n1nc(NCc2cc(F)c(N(C)C)cc2F)cc1C ZINC000858155603 1049220891 /nfs/dbraw/zinc/22/08/91/1049220891.db2.gz KXJJDEOUUQNUDN-NSHDSACASA-N 0 0 322.403 4.119 20 10 DICDRN Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC001204681930 1049222202 /nfs/dbraw/zinc/22/22/02/1049222202.db2.gz NHVUFGRWQLLMBI-UONOGXRCSA-N 0 0 317.379 4.357 20 10 DICDRN Cc1ccc(O)c(CNC(=O)N[C@H](c2ccccc2)C2CCC2)c1 ZINC000858190998 1049225721 /nfs/dbraw/zinc/22/57/21/1049225721.db2.gz LKSVAYOPJGEGQZ-LJQANCHMSA-N 0 0 324.424 4.041 20 10 DICDRN CCCCOC(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001193731177 1049248898 /nfs/dbraw/zinc/24/88/98/1049248898.db2.gz DOVPIFYAJGSVST-INIZCTEOSA-N 0 0 305.418 4.159 20 10 DICDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001180007085 1049255168 /nfs/dbraw/zinc/25/51/68/1049255168.db2.gz PRVDAZQDQUOWPV-OAHLLOKOSA-N 0 0 317.379 4.125 20 10 DICDRN [O-]c1c(C[N@@H+]2CCC[C@H]2CCc2ccccc2)ccc(F)c1F ZINC001180043179 1049263367 /nfs/dbraw/zinc/26/33/67/1049263367.db2.gz 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ZINC001180130015 1049279935 /nfs/dbraw/zinc/27/99/35/1049279935.db2.gz QXWXRLUKOOPOFI-HXQDSFTGSA-N 0 0 320.436 4.131 20 10 DICDRN Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001180142329 1049282546 /nfs/dbraw/zinc/28/25/46/1049282546.db2.gz MXXHATPCCIRZAE-ZFWWWQNUSA-N 0 0 317.379 4.357 20 10 DICDRN CCCOc1ccc(N[C@@H](C)c2ccccc2O)cc1OC ZINC000858603371 1049284742 /nfs/dbraw/zinc/28/47/42/1049284742.db2.gz ARBVKJSPUSXMGK-ZDUSSCGKSA-N 0 0 301.386 4.363 20 10 DICDRN Cc1ccccc1COC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000858900372 1049300103 /nfs/dbraw/zinc/30/01/03/1049300103.db2.gz PMHWYLNJRMCLGB-UHFFFAOYSA-N 0 0 324.424 4.022 20 10 DICDRN Nc1ccc(Cc2ccc(Nc3ccn4ccnc4c3)cc2)cc1 ZINC001204990880 1049332660 /nfs/dbraw/zinc/33/26/60/1049332660.db2.gz HVSKHUVRUCFSNO-UHFFFAOYSA-N 0 0 314.392 4.251 20 10 DICDRN Nc1ccc(N(c2ccccc2)c2ccn3ccnc3c2)cc1 ZINC001204990657 1049333845 /nfs/dbraw/zinc/33/38/45/1049333845.db2.gz DJPMCYPBTAMBIX-UHFFFAOYSA-N 0 0 300.365 4.386 20 10 DICDRN 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[O-]c1c(Cl)cccc1C[NH2+]CC1(c2ccccc2F)CCC1 ZINC001182702586 1049703019 /nfs/dbraw/zinc/70/30/19/1049703019.db2.gz CRNWDTGXWMEAQI-UHFFFAOYSA-N 0 0 319.807 4.396 20 10 DICDRN COc1ccc(Cl)c(NCc2cc(Cl)cc(F)c2O)c1 ZINC000775758293 1049717918 /nfs/dbraw/zinc/71/79/18/1049717918.db2.gz PRORNNZKKLPNKZ-UHFFFAOYSA-N 0 0 316.159 4.459 20 10 DICDRN CC[C@H](C)NS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197186919 1049725186 /nfs/dbraw/zinc/72/51/86/1049725186.db2.gz NRDBLMXFBZBZDD-BZSIDJSBSA-N 0 0 317.414 4.179 20 10 DICDRN [O-]c1cc(F)c(F)cc1C[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC001206404879 1049727438 /nfs/dbraw/zinc/72/74/38/1049727438.db2.gz WKJFITIHJFXVMF-UHFFFAOYSA-N 0 0 323.770 4.493 20 10 DICDRN CCOc1ccc(N(C)Cc2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000150731169 1049751447 /nfs/dbraw/zinc/75/14/47/1049751447.db2.gz KKNNKHKXURKUEL-UHFFFAOYSA-N 0 0 323.396 4.080 20 10 DICDRN C[N@H+](Cc1c(O)ccc2ccncc21)[C@@H]1CCc2ccccc21 ZINC000029314400 1049824862 /nfs/dbraw/zinc/82/48/62/1049824862.db2.gz 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ZINC001209728555 1050078619 /nfs/dbraw/zinc/07/86/19/1050078619.db2.gz RBFAWRKOUCLEIR-UHFFFAOYSA-N 0 0 319.202 4.305 20 10 DICDRN Fc1ccc(Nc2ccc3c(c2)OCCN3)cc1C(F)(F)F ZINC001209728963 1050079928 /nfs/dbraw/zinc/07/99/28/1050079928.db2.gz XMQXSHSOJQEDAM-UHFFFAOYSA-N 0 0 312.266 4.392 20 10 DICDRN COc1ccc(C(F)(F)F)cc1Nc1ccc2c(c1)OCCN2 ZINC001209728904 1050080743 /nfs/dbraw/zinc/08/07/43/1050080743.db2.gz UZGUQQUROWHMMR-UHFFFAOYSA-N 0 0 324.302 4.262 20 10 DICDRN Fc1cccc(Nc2ccc3c(c2)OCCN3)c1Br ZINC001209766731 1050081781 /nfs/dbraw/zinc/08/17/81/1050081781.db2.gz DQFHJWKIPJXGFR-UHFFFAOYSA-N 0 0 323.165 4.136 20 10 DICDRN COc1ccc(F)c(Nc2ccc3c(c2)OCCN3)c1Cl ZINC001209767055 1050082921 /nfs/dbraw/zinc/08/29/21/1050082921.db2.gz ITPNKSKODPDXFV-UHFFFAOYSA-N 0 0 308.740 4.036 20 10 DICDRN Clc1nccc2c(Nc3ccc4c(c3)OCCN4)cccc12 ZINC001209767945 1050082996 /nfs/dbraw/zinc/08/29/96/1050082996.db2.gz SZBZHSCCAWIZGJ-UHFFFAOYSA-N 0 0 311.772 4.436 20 10 DICDRN Clc1ccc(Nc2ccc3c(c2)OCCN3)c2ccncc12 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Cc1ccc(C(=O)Nc2cccc(N3CCC(C)CC3)c2)c(O)c1 ZINC001136888622 1050219691 /nfs/dbraw/zinc/21/96/91/1050219691.db2.gz LVRLBIIYJDBPEQ-UHFFFAOYSA-N 0 0 324.424 4.189 20 10 DICDRN Cc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc1F ZINC000824548723 1050222326 /nfs/dbraw/zinc/22/23/26/1050222326.db2.gz NFVMJZOSJXMWMP-SNVBAGLBSA-N 0 0 311.759 4.483 20 10 DICDRN CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2)cc1 ZINC000771219469 1050231725 /nfs/dbraw/zinc/23/17/25/1050231725.db2.gz HFDIFBIKSHDSRC-LBPRGKRZSA-N 0 0 319.426 4.015 20 10 DICDRN C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000824716759 1050237376 /nfs/dbraw/zinc/23/73/76/1050237376.db2.gz ZYJJULYAEFDYKV-GXSJLCMTSA-N 0 0 307.743 4.208 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2c(C)cccc2O)cc1 ZINC000771484101 1050256478 /nfs/dbraw/zinc/25/64/78/1050256478.db2.gz AIQOCTGABDVBLE-UHFFFAOYSA-N 0 0 320.392 4.360 20 10 DICDRN Cc1ccc(C)n1-c1ccc(-c2nc([C@H]3CCCOC3)no2)cc1 ZINC000771601115 1050266554 /nfs/dbraw/zinc/26/65/54/1050266554.db2.gz 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ZINC001210680891 1050335081 /nfs/dbraw/zinc/33/50/81/1050335081.db2.gz CEWPUOIIKHLTEB-UHFFFAOYSA-N 0 0 318.420 4.404 20 10 DICDRN Cc1cnc(CN2CCCc3cc(OC(F)F)ccc32)s1 ZINC000772202265 1050341717 /nfs/dbraw/zinc/34/17/17/1050341717.db2.gz TVMOIZROQWVRNW-UHFFFAOYSA-N 0 0 310.369 4.006 20 10 DICDRN C[C@H](Nc1ncnc2cccc(F)c21)c1ccc(N(C)C)cc1 ZINC000772300593 1050348770 /nfs/dbraw/zinc/34/87/70/1050348770.db2.gz MLMDDUANZFVSQG-LBPRGKRZSA-N 0 0 310.376 4.008 20 10 DICDRN Cc1cc(C(F)(F)F)nc(N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000772300827 1050349508 /nfs/dbraw/zinc/34/95/08/1050349508.db2.gz OQGNXRVSFTUTSC-NSHDSACASA-N 0 0 324.350 4.043 20 10 DICDRN Cc1nc(N[C@@H](C)c2ccc(N(C)C)cc2)cc(C(F)(F)F)n1 ZINC000772301334 1050349781 /nfs/dbraw/zinc/34/97/81/1050349781.db2.gz RXJXZDHGRTWDBJ-JTQLQIEISA-N 0 0 324.350 4.043 20 10 DICDRN COc1cc(N(c2ccccc2)c2ccc(N)cc2)cc(C)n1 ZINC001210780912 1050369718 /nfs/dbraw/zinc/36/97/18/1050369718.db2.gz SVBFPSXFBYDBDA-UHFFFAOYSA-N 0 0 305.381 4.451 20 10 DICDRN CSCc1cccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000783317229 1050375470 /nfs/dbraw/zinc/37/54/70/1050375470.db2.gz OQTRLSMILLASTD-NSHDSACASA-N 0 0 323.408 4.384 20 10 DICDRN Cc1cc(Cl)cc2c1N(C(=O)/C=C/c1cccnc1)CCC2 ZINC000735450255 1050387672 /nfs/dbraw/zinc/38/76/72/1050387672.db2.gz VFPBMOUQNJFNHM-VOTSOKGWSA-N 0 0 312.800 4.036 20 10 DICDRN CCOc1cccc(CNc2cc(C)cc(OC)c2C)c1O ZINC000785544716 1050387893 /nfs/dbraw/zinc/38/78/93/1050387893.db2.gz PXMDJOULEIORPZ-UHFFFAOYSA-N 0 0 301.386 4.028 20 10 DICDRN Cc1nc2c(cc(N(C)c3ccc(N)cc3)cc2F)n1C(C)C ZINC001210923875 1050416441 /nfs/dbraw/zinc/41/64/41/1050416441.db2.gz HFINPYLSMGXTKW-UHFFFAOYSA-N 0 0 312.392 4.415 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)C=C1CCC(C)CC1 ZINC000735857047 1050434131 /nfs/dbraw/zinc/43/41/31/1050434131.db2.gz MNWSYERNLFNCNN-UHFFFAOYSA-N 0 0 301.430 4.267 20 10 DICDRN CC(=Nc1ccccc1C(=O)c1ccncc1)c1ccccc1 ZINC001210986653 1050437566 /nfs/dbraw/zinc/43/75/66/1050437566.db2.gz AEGCWBBPUCGQED-UHFFFAOYSA-N 0 0 300.361 4.395 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302.443 4.265 20 10 DICDRN Oc1ccc(F)cc1CNc1cccc(-c2nccs2)c1 ZINC000226561220 1050488624 /nfs/dbraw/zinc/48/86/24/1050488624.db2.gz SQCYGXNSCQHCDG-UHFFFAOYSA-N 0 0 300.358 4.267 20 10 DICDRN Nc1cccc2c1CCCN2c1cccc(-c2cccnc2)c1 ZINC001211144993 1050496664 /nfs/dbraw/zinc/49/66/64/1050496664.db2.gz HYSAMHUOFKXCKE-UHFFFAOYSA-N 0 0 301.393 4.415 20 10 DICDRN Nc1ccc2c(c1)N(c1cccc(-c3cccnc3)c1)CCC2 ZINC001211145084 1050496811 /nfs/dbraw/zinc/49/68/11/1050496811.db2.gz JVFGONJVAOKQLY-UHFFFAOYSA-N 0 0 301.393 4.415 20 10 DICDRN CC[C@H]([NH2+]Cc1cccc(Cl)c1[O-])c1ccc(OC)cc1 ZINC000158067333 1050508056 /nfs/dbraw/zinc/50/80/56/1050508056.db2.gz IRMYYNQDEQCLQS-INIZCTEOSA-N 0 0 305.805 4.295 20 10 DICDRN CC[C@@H](CC(=O)NCc1ccc(N(C)C)cc1)c1ccc(C)cc1 ZINC000737484554 1050508948 /nfs/dbraw/zinc/50/89/48/1050508948.db2.gz UQVWQJIMVPDOQI-SFHVURJKSA-N 0 0 324.468 4.261 20 10 DICDRN CC[C@H](CC(=O)NCc1ccc(N(C)C)cc1)c1ccc(C)cc1 ZINC000737484547 1050509273 /nfs/dbraw/zinc/50/92/73/1050509273.db2.gz 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CCCCCC[C@H](CC)C(=O)NCc1cccc(OC)c1O ZINC000740925638 1050639092 /nfs/dbraw/zinc/63/90/92/1050639092.db2.gz RNRMVXNQTKYCHB-AWEZNQCLSA-N 0 0 307.434 4.014 20 10 DICDRN C[C@@H]1C[C@H](O)CN1C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000788278450 1050664460 /nfs/dbraw/zinc/66/44/60/1050664460.db2.gz KJCMWWBOYOKGBT-DYVFJYSZSA-N 0 0 324.384 4.089 20 10 DICDRN COc1cccc([C@@H](C)Nc2cc(F)c(OC)cc2C)c1O ZINC000846163343 1050678219 /nfs/dbraw/zinc/67/82/19/1050678219.db2.gz JENQGPPHEXYATL-LLVKDONJSA-N 0 0 305.349 4.030 20 10 DICDRN C[C@H]([NH2+]CC[C@@]1(C)C[C@]1(F)Cl)c1cc(F)cc(F)c1[O-] ZINC000846184565 1050689251 /nfs/dbraw/zinc/68/92/51/1050689251.db2.gz LLOSBSGSFOPZQO-ULCPSODYSA-N 0 0 307.743 4.026 20 10 DICDRN Cc1cc(C(=O)N2CCC[C@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000301313359 1050690800 /nfs/dbraw/zinc/69/08/00/1050690800.db2.gz DHBJVMAOYRUFSV-ZDUSSCGKSA-N 0 0 314.404 4.105 20 10 DICDRN C[C@H]([NH2+]CCC[C@H]1CC1(Cl)Cl)c1cc(F)cc(F)c1[O-] ZINC000846215198 1050695741 /nfs/dbraw/zinc/69/57/41/1050695741.db2.gz 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O=C(c1ccncc1)c1ccccc1Nc1cnccc1C1CC1 ZINC001213884039 1050773861 /nfs/dbraw/zinc/77/38/61/1050773861.db2.gz IRIYNCCJFVVSIO-UHFFFAOYSA-N 0 0 315.376 4.329 20 10 DICDRN CCc1nc(C)c(CN(C)c2ccc(-c3nccs3)cc2)o1 ZINC000846991509 1050792459 /nfs/dbraw/zinc/79/24/59/1050792459.db2.gz FNHRTEHBTRBIJC-UHFFFAOYSA-N 0 0 313.426 4.305 20 10 DICDRN CN(Cc1ccc(N2CCCCC2)cc1)c1nccc2occc21 ZINC000742390566 1050830582 /nfs/dbraw/zinc/83/05/82/1050830582.db2.gz SPCPIFCMUBNAMM-UHFFFAOYSA-N 0 0 321.424 4.455 20 10 DICDRN CC1(C)CN(C(=O)/C=C\c2cccnc2)c2cccc(Cl)c21 ZINC000746817595 1050831730 /nfs/dbraw/zinc/83/17/30/1050831730.db2.gz OHUVFIXWFDRGBU-HJWRWDBZSA-N 0 0 312.800 4.073 20 10 DICDRN CC[C@@H]1CCCN1C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001146733657 1050839494 /nfs/dbraw/zinc/83/94/94/1050839494.db2.gz DRWHLQJKSFUDNV-GOSISDBHSA-N 0 0 310.441 4.038 20 10 DICDRN CC[C@H]1CCCN1C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001146733658 1050840299 /nfs/dbraw/zinc/84/02/99/1050840299.db2.gz DRWHLQJKSFUDNV-SFHVURJKSA-N 0 0 310.441 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ZINC001214668791 1050975443 /nfs/dbraw/zinc/97/54/43/1050975443.db2.gz FNDSSMMBMRMUDZ-UHFFFAOYSA-N 0 0 318.420 4.408 20 10 DICDRN CC[C@H](C)n1ncc(N[C@@H](C)c2cc(F)cc(F)c2O)c1C ZINC000790744248 1050992436 /nfs/dbraw/zinc/99/24/36/1050992436.db2.gz ZORMATMXBPJCDT-UWVGGRQHSA-N 0 0 309.360 4.319 20 10 DICDRN Cc1csc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1Cl ZINC000790912598 1051005964 /nfs/dbraw/zinc/00/59/64/1051005964.db2.gz FIMFHPLMCLCQDU-NSHDSACASA-N 0 0 322.861 4.267 20 10 DICDRN CC(C)Oc1ccccc1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790954264 1051008079 /nfs/dbraw/zinc/00/80/79/1051008079.db2.gz NRBXQOZRXSOBPV-UHFFFAOYSA-N 0 0 323.795 4.262 20 10 DICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000790955214 1051008138 /nfs/dbraw/zinc/00/81/38/1051008138.db2.gz NGCYVFNTENUTSD-UHFFFAOYSA-N 0 0 323.770 4.493 20 10 DICDRN C[C@H](NC(=O)c1cccc(F)c1Cl)c1ccc(N(C)C)cc1 ZINC000772997272 1051008380 /nfs/dbraw/zinc/00/83/80/1051008380.db2.gz FPHNJGHPPQTHDM-NSHDSACASA-N 0 0 320.795 4.036 20 10 DICDRN C[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)c1c(F)cccc1F ZINC000790948269 1051008835 /nfs/dbraw/zinc/00/88/35/1051008835.db2.gz GSQAZXFZCHQUSW-MRVPVSSYSA-N 0 0 315.722 4.314 20 10 DICDRN CCC[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)c1ccccn1 ZINC000790959667 1051010363 /nfs/dbraw/zinc/01/03/63/1051010363.db2.gz KWODBRKYMKQMMR-CYBMUJFWSA-N 0 0 308.784 4.211 20 10 DICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1coc2ccccc12 ZINC000790964262 1051011345 /nfs/dbraw/zinc/01/13/45/1051011345.db2.gz XNKQTHGZKYLCQR-UHFFFAOYSA-N 0 0 305.736 4.221 20 10 DICDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@H]1CC(C)(C)CO1 ZINC001171354334 1051011242 /nfs/dbraw/zinc/01/12/42/1051011242.db2.gz QRWSSEJDVIEIDV-SJLPKXTDSA-N 0 0 317.473 4.145 20 10 DICDRN COc1ccc([C@H](C)[NH2+]Cc2c([O-])ccc(Cl)c2F)cc1 ZINC000790963002 1051011748 /nfs/dbraw/zinc/01/17/48/1051011748.db2.gz WNDNJBWZAXVPDT-JTQLQIEISA-N 0 0 309.768 4.044 20 10 DICDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1ccc(F)cn1 ZINC001171355383 1051012142 /nfs/dbraw/zinc/01/21/42/1051012142.db2.gz YXSWURRITIJDOT-OAHLLOKOSA-N 0 0 314.404 4.064 20 10 DICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C1(Cc2ccccc2)CC1 ZINC000790991011 1051012465 /nfs/dbraw/zinc/01/24/65/1051012465.db2.gz OACKWRWXBKAASF-UHFFFAOYSA-N 0 0 305.780 4.050 20 10 DICDRN CS[C@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)C(C)(C)C ZINC000790986890 1051013432 /nfs/dbraw/zinc/01/34/32/1051013432.db2.gz ZANOBDSOKOXTJS-GFCCVEGCSA-N 0 0 305.846 4.052 20 10 DICDRN Cc1ccc(Cl)cc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773000900 1051014711 /nfs/dbraw/zinc/01/47/11/1051014711.db2.gz QKQFUUQMGQOEKE-ZDUSSCGKSA-N 0 0 316.832 4.205 20 10 DICDRN CCCCCC[C@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000743337062 1051015249 /nfs/dbraw/zinc/01/52/49/1051015249.db2.gz PATISOFRGPRFDU-KBPBESRZSA-N 0 0 307.434 4.185 20 10 DICDRN CCCCn1ncc(NCc2cc(C)ccc2O)c1C(C)C ZINC000791007011 1051016954 /nfs/dbraw/zinc/01/69/54/1051016954.db2.gz FYSRDBZIIARKMK-UHFFFAOYSA-N 0 0 301.434 4.433 20 10 DICDRN C[C@@H](NC(=O)c1ccc2ccccc2c1)c1ccc(N(C)C)cc1 ZINC000773004898 1051019309 /nfs/dbraw/zinc/01/93/09/1051019309.db2.gz BSGOYGNYULLNMH-OAHLLOKOSA-N 0 0 318.420 4.397 20 10 DICDRN Cc1ccc(CCCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000773020117 1051025990 /nfs/dbraw/zinc/02/59/90/1051025990.db2.gz NWYITSCRPAWUHI-QGZVFWFLSA-N 0 0 324.468 4.261 20 10 DICDRN C[C@H](NC(=O)C[C@H]1CCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000773022483 1051026530 /nfs/dbraw/zinc/02/65/30/1051026530.db2.gz GNBVMITYXBGGIX-MAUKXSAKSA-N 0 0 322.452 4.050 20 10 DICDRN C/C(=C\C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000773021015 1051026822 /nfs/dbraw/zinc/02/68/22/1051026822.db2.gz QOCVWJLCXBIZIQ-UTZKEFOASA-N 0 0 308.425 4.033 20 10 DICDRN Cc1ccccc1[C@H](C)CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773020905 1051027146 /nfs/dbraw/zinc/02/71/46/1051027146.db2.gz YAGRAQQXVHNFJH-SJORKVTESA-N 0 0 324.468 4.432 20 10 DICDRN CC(C)[C@H](NC(=O)C1=CC(=O)CS1)c1ccccc1Cl ZINC000743592264 1051045285 /nfs/dbraw/zinc/04/52/85/1051045285.db2.gz YEFICWKVMWZLBY-AWEZNQCLSA-N 0 0 309.818 4.234 20 10 DICDRN CO[C@@H](C(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1CC1 ZINC000791440076 1051050014 /nfs/dbraw/zinc/05/00/14/1051050014.db2.gz OGHPUMQYTXLXEJ-QGZVFWFLSA-N 0 0 309.369 4.466 20 10 DICDRN C[C@H]1CCCC[C@@H]1CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743719315 1051058293 /nfs/dbraw/zinc/05/82/93/1051058293.db2.gz WHZRXZINUPFVGK-GOEBONIOSA-N 0 0 315.457 4.104 20 10 DICDRN CCC[C@H](C)NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000743811987 1051067090 /nfs/dbraw/zinc/06/70/90/1051067090.db2.gz AEYIMDYRYDYULD-ZDUSSCGKSA-N 0 0 314.429 4.021 20 10 DICDRN CC(=O)Nc1ccc(C)c(NCc2cc3ccccc3cc2O)c1 ZINC001171404508 1051089913 /nfs/dbraw/zinc/08/99/13/1051089913.db2.gz DOIXOGGBEZBJEB-UHFFFAOYSA-N 0 0 320.392 4.424 20 10 DICDRN Oc1cc2ccccc2cc1CNc1c(Cl)cncc1Cl ZINC001171405235 1051091812 /nfs/dbraw/zinc/09/18/12/1051091812.db2.gz SHIHMBXKVMANRD-UHFFFAOYSA-N 0 0 319.191 4.281 20 10 DICDRN Oc1cc2ccccc2cc1CNc1ccc2ccncc2n1 ZINC001171405239 1051091986 /nfs/dbraw/zinc/09/19/86/1051091986.db2.gz SNCDWQPHVCYWJT-UHFFFAOYSA-N 0 0 301.349 4.101 20 10 DICDRN COC(=O)c1cc(NCc2cc3ccccc3cc2O)ccc1C ZINC001171404963 1051092399 /nfs/dbraw/zinc/09/23/99/1051092399.db2.gz NAJAYOSZPZFYBC-UHFFFAOYSA-N 0 0 321.376 4.253 20 10 DICDRN COc1cccc(NCc2cc3ccccc3cc2O)c1[N+](=O)[O-] ZINC001171405264 1051092758 /nfs/dbraw/zinc/09/27/58/1051092758.db2.gz SZVYTTHZOQRBKC-UHFFFAOYSA-N 0 0 324.336 4.074 20 10 DICDRN Cc1nc2c(ncc(NCc3cc4ccccc4cc3O)c2C)[nH]1 ZINC001171406784 1051093087 /nfs/dbraw/zinc/09/30/87/1051093087.db2.gz FHHUTSKCCWAABM-UHFFFAOYSA-N 0 0 318.380 4.046 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)CC[C@@H](C)SC)cc1 ZINC000773204601 1051108927 /nfs/dbraw/zinc/10/89/27/1051108927.db2.gz GQNICMHJOKRHTL-OAHLLOKOSA-N 0 0 322.518 4.023 20 10 DICDRN CCOc1cc(NCc2cc(Cl)ccc2O)ccc1OC ZINC000037091841 1051109138 /nfs/dbraw/zinc/10/91/38/1051109138.db2.gz FIVIVUJENPRAQV-UHFFFAOYSA-N 0 0 307.777 4.065 20 10 DICDRN COc1cccc(CNc2cc(Br)ccc2C)c1O ZINC000037091380 1051109180 /nfs/dbraw/zinc/10/91/80/1051109180.db2.gz BAWGCEWDVXOABV-UHFFFAOYSA-N 0 0 322.202 4.084 20 10 DICDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1ccns1 ZINC000716048462 1051113188 /nfs/dbraw/zinc/11/31/88/1051113188.db2.gz RKOGUHUHUPURAG-SSDOTTSWSA-N 0 0 303.214 4.006 20 10 DICDRN C[C@@H]1CCSCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000792197189 1051126932 /nfs/dbraw/zinc/12/69/32/1051126932.db2.gz PKXCWMYFZAZXFQ-SECBINFHSA-N 0 0 306.258 4.026 20 10 DICDRN COc1ccc(N(Cc2cccc(Cl)n2)C(C)C)cc1F ZINC000744393697 1051170355 /nfs/dbraw/zinc/17/03/55/1051170355.db2.gz QWMYBSBHVMMSIW-UHFFFAOYSA-N 0 0 308.784 4.298 20 10 DICDRN Cc1cc(-c2noc(-c3ccc(-n4cccc4)cc3)n2)cc(C)n1 ZINC001215391243 1051184433 /nfs/dbraw/zinc/18/44/33/1051184433.db2.gz JLHWMSDAQLSEPJ-UHFFFAOYSA-N 0 0 316.364 4.206 20 10 DICDRN CCOc1cccc(Cl)c1CN(C)c1ccc(OC)cc1 ZINC001171745863 1051205075 /nfs/dbraw/zinc/20/50/75/1051205075.db2.gz FKMXUTRUKUTLAI-UHFFFAOYSA-N 0 0 305.805 4.384 20 10 DICDRN Cc1cc(O)cc(N(c2ccc(N)cc2)c2ccc(N)cc2)c1 ZINC001215519930 1051229350 /nfs/dbraw/zinc/22/93/50/1051229350.db2.gz RXCLGDSYKJPOFQ-UHFFFAOYSA-N 0 0 305.381 4.335 20 10 DICDRN CCC[C@](C)(CC)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000793043620 1051240746 /nfs/dbraw/zinc/24/07/46/1051240746.db2.gz SECPTMJYXFMAFY-IBGZPJMESA-N 0 0 302.462 4.119 20 10 DICDRN CCC1(CC)CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC001171949711 1051241222 /nfs/dbraw/zinc/24/12/22/1051241222.db2.gz XEMJCWWKVRBPPD-UHFFFAOYSA-N 0 0 307.409 4.136 20 10 DICDRN CCC[C@H](C)NC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000745261104 1051242079 /nfs/dbraw/zinc/24/20/79/1051242079.db2.gz JTGNXESOEIMTGQ-HNNXBMFYSA-N 0 0 318.461 4.425 20 10 DICDRN Nc1ccc(Nc2ccc3cnn([C@@H]4CCCCO4)c3c2)cc1 ZINC001215564228 1051245499 /nfs/dbraw/zinc/24/54/99/1051245499.db2.gz OURCYWMGLYLRGO-SFHVURJKSA-N 0 0 308.385 4.061 20 10 DICDRN CCC(CC)CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000745832324 1051290304 /nfs/dbraw/zinc/29/03/04/1051290304.db2.gz DZFOLNLJXYXDKZ-UHFFFAOYSA-N 0 0 319.493 4.109 20 10 DICDRN CC[C@H](C)C[C@H](C)NC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000745889697 1051291930 /nfs/dbraw/zinc/29/19/30/1051291930.db2.gz IWCORSYLYYENNT-HOTGVXAUSA-N 0 0 319.493 4.109 20 10 DICDRN CC[C@H](C)C[C@@H](C)NC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000745889699 1051292197 /nfs/dbraw/zinc/29/21/97/1051292197.db2.gz IWCORSYLYYENNT-JKSUJKDBSA-N 0 0 319.493 4.109 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)C[C@H](C)CC ZINC000745887698 1051293850 /nfs/dbraw/zinc/29/38/50/1051293850.db2.gz DDQXUDDDKOASAP-HUUCEWRRSA-N 0 0 306.450 4.139 20 10 DICDRN CCOc1ccc(N(CC)Cc2ncc(C(C)(C)C)o2)cc1 ZINC000746158818 1051332463 /nfs/dbraw/zinc/33/24/63/1051332463.db2.gz HJRZKMVLOHGQFD-UHFFFAOYSA-N 0 0 302.418 4.397 20 10 DICDRN COc1cncc(N(Cc2ccccc2)c2ccc(N)cc2)c1C ZINC001215735579 1051333028 /nfs/dbraw/zinc/33/30/28/1051333028.db2.gz TWOLBYFZLNQANL-UHFFFAOYSA-N 0 0 319.408 4.319 20 10 DICDRN COc1ccc(O)c(CNC(=O)CC(C)(C)C2CCCCC2)c1 ZINC000793689024 1051333554 /nfs/dbraw/zinc/33/35/54/1051333554.db2.gz IJSRFYARZUAKSL-UHFFFAOYSA-N 0 0 319.445 4.014 20 10 DICDRN COc1ccc(N(CC(C)C)C[C@@H](O)c2cccc(F)c2)cc1 ZINC000746169873 1051333941 /nfs/dbraw/zinc/33/39/41/1051333941.db2.gz CEHFXSIJRVQERQ-LJQANCHMSA-N 0 0 317.404 4.030 20 10 DICDRN O=C1Oc2ccccc2/C1=C\c1ccc(N2CCCCC2)cc1 ZINC000747161389 1051350889 /nfs/dbraw/zinc/35/08/89/1051350889.db2.gz KTLCFHSIHMDIMD-NBVRZTHBSA-N 0 0 305.377 4.137 20 10 DICDRN CCc1nc(C)c(CN2CCCc3cc(OC(F)F)ccc32)o1 ZINC000794405193 1051372944 /nfs/dbraw/zinc/37/29/44/1051372944.db2.gz UWUOAPKKNGESPB-UHFFFAOYSA-N 0 0 322.355 4.100 20 10 DICDRN CCCCCC[C@H](CC)C(=O)NCc1ccc(OC)cc1O ZINC000794383874 1051373297 /nfs/dbraw/zinc/37/32/97/1051373297.db2.gz RPOJMAFKHWVEQA-AWEZNQCLSA-N 0 0 307.434 4.014 20 10 DICDRN COc1cccc(CNc2ccnc3c(Cl)cccc23)c1O ZINC000804423856 1051397350 /nfs/dbraw/zinc/39/73/50/1051397350.db2.gz ATCFSIQYTCIVOS-UHFFFAOYSA-N 0 0 314.772 4.215 20 10 DICDRN Cc1cc(N(C)C)ccc1CNc1ccnc(C(F)(F)F)c1 ZINC000804460913 1051410497 /nfs/dbraw/zinc/41/04/97/1051410497.db2.gz QFUMIELIHWLPAK-UHFFFAOYSA-N 0 0 309.335 4.087 20 10 DICDRN CC(C)c1ccc2occ(C(=O)NCc3ccccc3O)c2c1 ZINC000804461885 1051410772 /nfs/dbraw/zinc/41/07/72/1051410772.db2.gz XJPJVPAJLBBZTQ-UHFFFAOYSA-N 0 0 309.365 4.192 20 10 DICDRN Nc1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)cc1 ZINC000746479368 1051435966 /nfs/dbraw/zinc/43/59/66/1051435966.db2.gz WOGLTCMDYRQIKK-UHFFFAOYSA-N 0 0 316.360 4.349 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCCC2(F)F)cc1 ZINC001129586044 1051449969 /nfs/dbraw/zinc/44/99/69/1051449969.db2.gz YBARLEVWNMDIHW-INIZCTEOSA-N 0 0 318.367 4.012 20 10 DICDRN CC(C)c1snnc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC001212687322 1051531854 /nfs/dbraw/zinc/53/18/54/1051531854.db2.gz NBEGUHKZWOCINP-UHFFFAOYSA-N 0 0 306.778 4.032 20 10 DICDRN C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CCc2cccc(O)c2C1 ZINC001172855300 1051542069 /nfs/dbraw/zinc/54/20/69/1051542069.db2.gz DVMYWVZWAWAIOB-GFCCVEGCSA-N 0 0 319.807 4.174 20 10 DICDRN CC(C)c1cccc2c1N(C(=O)/C=C\c1cccnc1)CCC2 ZINC001129919757 1051567612 /nfs/dbraw/zinc/56/76/12/1051567612.db2.gz SGAYJCMWRYIMEK-KHPPLWFESA-N 0 0 306.409 4.198 20 10 DICDRN COc1ccc(N(C)Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1F ZINC000761532636 1051589321 /nfs/dbraw/zinc/58/93/21/1051589321.db2.gz MBPGSZBLSJRVDX-UHFFFAOYSA-N 0 0 324.739 4.032 20 10 DICDRN C[C@@H](Nc1ccc(N2CCCCC2)nc1)c1ccc(N(C)C)cc1 ZINC000324167726 1051605924 /nfs/dbraw/zinc/60/59/24/1051605924.db2.gz DQDSKSKQWUGYAK-MRXNPFEDSA-N 0 0 324.472 4.311 20 10 DICDRN Cc1c(F)cncc1Nc1ccc(Cc2ccc(N)cc2)cc1 ZINC001216195435 1051625119 /nfs/dbraw/zinc/62/51/19/1051625119.db2.gz UMBVMEFOTNJZCC-UHFFFAOYSA-N 0 0 307.372 4.446 20 10 DICDRN Nc1ccc(N(Cc2ccccc2)c2ccc(CO)cc2F)cc1 ZINC001216273728 1051668870 /nfs/dbraw/zinc/66/88/70/1051668870.db2.gz GCPINDWOLCKKFR-UHFFFAOYSA-N 0 0 322.383 4.239 20 10 DICDRN Cc1nocc1Nc1ccc(Cl)cc1C(=O)c1ccccn1 ZINC001212725450 1051718047 /nfs/dbraw/zinc/71/80/47/1051718047.db2.gz WVUVKZCUCHPZPA-UHFFFAOYSA-N 0 0 313.744 4.006 20 10 DICDRN Cc1cc(N2CCCC2)ccc1N[C@@H]1CCc2cccc(O)c21 ZINC000324240603 1051729608 /nfs/dbraw/zinc/72/96/08/1051729608.db2.gz ZGQXAUNLENMECB-GOSISDBHSA-N 0 0 308.425 4.400 20 10 DICDRN CCC/C=C/C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC001169944344 1051731125 /nfs/dbraw/zinc/73/11/25/1051731125.db2.gz SZMFVVUKVMOVHG-KPKJPENVSA-N 0 0 310.441 4.109 20 10 DICDRN CCc1nc(CC[NH2+][C@H](CC)c2cccc(Cl)c2[O-])cs1 ZINC000806136364 1051737181 /nfs/dbraw/zinc/73/71/81/1051737181.db2.gz BJKAVLMCLGHLNG-CQSZACIVSA-N 0 0 324.877 4.348 20 10 DICDRN CC[C@@H]([NH2+]CCc1ccccc1O)c1cccc(Cl)c1[O-] ZINC000806136362 1051737560 /nfs/dbraw/zinc/73/75/60/1051737560.db2.gz BDZDZRYIUJRZNF-OAHLLOKOSA-N 0 0 305.805 4.035 20 10 DICDRN CC[C@H]([NH2+]C[C@]1(C)CCOC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806139516 1051742346 /nfs/dbraw/zinc/74/23/46/1051742346.db2.gz OXAJIRPPJWQIHG-ZFWWWQNUSA-N 0 0 318.244 4.166 20 10 DICDRN CC(C)SCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000806168241 1051743484 /nfs/dbraw/zinc/74/34/84/1051743484.db2.gz YFDODNPFRZENPT-VIFPVBQESA-N 0 0 308.274 4.491 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)C(C)(CC)CC)cc1 ZINC000767045525 1051746218 /nfs/dbraw/zinc/74/62/18/1051746218.db2.gz HVKWFYRCTYSTIU-UHFFFAOYSA-N 0 0 304.478 4.318 20 10 DICDRN CCC[C@@](C)(O)C[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806140183 1051747772 /nfs/dbraw/zinc/74/77/72/1051747772.db2.gz VSJPYNJJWRGAMC-DZGCQCFKSA-N 0 0 320.260 4.291 20 10 DICDRN CC[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1cccc(Cl)c1[O-] ZINC000806141272 1051750820 /nfs/dbraw/zinc/75/08/20/1051750820.db2.gz HLYLZGAENXYVEI-ZOBUZTSGSA-N 0 0 311.853 4.028 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)Cc1ccncc1)c1cccc(Cl)c1[O-] ZINC000806143339 1051751750 /nfs/dbraw/zinc/75/17/50/1051751750.db2.gz UNSJHKNDOWMCGV-MLGOLLRUSA-N 0 0 304.821 4.113 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)C)C1)c1cccc(Cl)c1[O-] ZINC000806144314 1051752423 /nfs/dbraw/zinc/75/24/23/1051752423.db2.gz UWVVAZORNYCNDX-UHOFOFEASA-N 0 0 311.853 4.290 20 10 DICDRN CC[C@H]([NH2+][C@@H](COC)c1ccccc1)c1cccc(Cl)c1[O-] ZINC000806146212 1051752840 /nfs/dbraw/zinc/75/28/40/1051752840.db2.gz KWUSYLIRSNBWKX-IRXDYDNUSA-N 0 0 319.832 4.474 20 10 DICDRN CC[C@@H]([NH2+]CC1(CCOC)CCC1)c1cccc(Cl)c1[O-] ZINC000806144651 1051752924 /nfs/dbraw/zinc/75/29/24/1051752924.db2.gz SPYURBQXEXXGRF-OAHLLOKOSA-N 0 0 311.853 4.293 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)Cc1ccncc1)c1cccc(Cl)c1[O-] ZINC000806143336 1051753457 /nfs/dbraw/zinc/75/34/57/1051753457.db2.gz UNSJHKNDOWMCGV-BLLLJJGKSA-N 0 0 304.821 4.113 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)C[C@H](O)c1ccco1)c1cccc(Cl)c1[O-] ZINC000806143803 1051753503 /nfs/dbraw/zinc/75/35/03/1051753503.db2.gz QKROVSURWQNLMC-CQDKDKBSSA-N 0 0 323.820 4.192 20 10 DICDRN CC[C@@H]([NH2+][C@H](CO)C1CCCCC1)c1cccc(Cl)c1[O-] ZINC000806147546 1051754926 /nfs/dbraw/zinc/75/49/26/1051754926.db2.gz KIQBYPIIBGMWAM-HZPDHXFCSA-N 0 0 311.853 4.028 20 10 DICDRN CC[C@H]([NH2+][C@@H](CCOC)c1ccco1)c1cccc(Cl)c1[O-] ZINC000806157329 1051761604 /nfs/dbraw/zinc/76/16/04/1051761604.db2.gz DZHFDTWQOSZLLZ-GJZGRUSLSA-N 0 0 323.820 4.457 20 10 DICDRN C/C=C/C[C@H](CO)[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806157693 1051761940 /nfs/dbraw/zinc/76/19/40/1051761940.db2.gz AVDKQNJKYBJFSX-HTDMEAKDSA-N 0 0 318.244 4.067 20 10 DICDRN CC[C@@H]([NH2+]C[C@H]1CCC=CO1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806162204 1051765327 /nfs/dbraw/zinc/76/53/27/1051765327.db2.gz YJLMEBSLOHQCNH-BXUZGUMPSA-N 0 0 316.228 4.432 20 10 DICDRN CC[C@@H]([NH2+]CCC1(O)CCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806165122 1051766130 /nfs/dbraw/zinc/76/61/30/1051766130.db2.gz GSZMOYVRZNCGLI-CYBMUJFWSA-N 0 0 318.244 4.045 20 10 DICDRN Nc1ccc(Cc2ccccc2Nc2cc(F)cc(CO)c2)cc1 ZINC001212748787 1051767925 /nfs/dbraw/zinc/76/79/25/1051767925.db2.gz HWZSPRDCRGBKCB-UHFFFAOYSA-N 0 0 322.383 4.235 20 10 DICDRN C[C@H]([NH2+][C@H]1CCC1(C)C)c1cc(Br)cc(F)c1[O-] ZINC000806168775 1051768949 /nfs/dbraw/zinc/76/89/49/1051768949.db2.gz AATBKEHYTKQTKO-UFBFGSQYSA-N 0 0 316.214 4.133 20 10 DICDRN CC[C@@H]([NH2+]CC1=CCCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000806178189 1051772901 /nfs/dbraw/zinc/77/29/01/1051772901.db2.gz PKAORTYOWDRKHJ-CYBMUJFWSA-N 0 0 316.228 4.086 20 10 DICDRN CC(C)c1cccnc1NCc1cccc(Br)c1O ZINC000767291942 1051785288 /nfs/dbraw/zinc/78/52/88/1051785288.db2.gz QOICFRGBCKXDFE-UHFFFAOYSA-N 0 0 321.218 4.285 20 10 DICDRN CCOc1ccc(CNc2ncccc2-c2ccccc2)c(O)c1 ZINC000767290709 1051785982 /nfs/dbraw/zinc/78/59/82/1051785982.db2.gz LAKPQDBLUCJBSG-UHFFFAOYSA-N 0 0 320.392 4.465 20 10 DICDRN Cc1cccc(-n2c(=N)ccc(/N=N/c3ccccc3)c2N)c1 ZINC001173807221 1051813060 /nfs/dbraw/zinc/81/30/60/1051813060.db2.gz KHLPLXDAVGJZFU-VBGCDCBSSA-N 0 0 303.369 4.263 20 10 DICDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1-c1ccccc1F ZINC001173845472 1051819899 /nfs/dbraw/zinc/81/98/99/1051819899.db2.gz CZGCCPGZYSPTLC-YWTBVUPUSA-N 0 0 307.332 4.093 20 10 DICDRN Nc1ccc(OC(=O)c2ccc(Nc3ccccc3F)cc2)cc1 ZINC001173847403 1051821882 /nfs/dbraw/zinc/82/18/82/1051821882.db2.gz BOMWZARPKJZXAD-UHFFFAOYSA-N 0 0 322.339 4.371 20 10 DICDRN O=C(c1ccccn1)c1cc(Cl)ccc1Nc1cccnc1 ZINC001173857220 1051830844 /nfs/dbraw/zinc/83/08/44/1051830844.db2.gz JEGWFALAUWVTKC-UHFFFAOYSA-N 0 0 309.756 4.105 20 10 DICDRN CCOc1ccc(O)c(CNc2cc(C)c(OC)cc2C)c1 ZINC000767739396 1051845697 /nfs/dbraw/zinc/84/56/97/1051845697.db2.gz WBLWBWJASXNLGJ-UHFFFAOYSA-N 0 0 301.386 4.028 20 10 DICDRN COc1ccccc1N(c1ccc(N)cc1)c1ccc(N)cc1 ZINC001173840074 1051854506 /nfs/dbraw/zinc/85/45/06/1051854506.db2.gz NUOWBNVCVLKSCY-UHFFFAOYSA-N 0 0 305.381 4.329 20 10 DICDRN COc1cc2c(cc1NCc1cc(C)n(C)n1)oc1ccccc12 ZINC000767806763 1051855064 /nfs/dbraw/zinc/85/50/64/1051855064.db2.gz TWZDPYSIBLQTAA-UHFFFAOYSA-N 0 0 321.380 4.249 20 10 DICDRN Oc1ccc(C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)cc1 ZINC000768234675 1051906790 /nfs/dbraw/zinc/90/67/90/1051906790.db2.gz MNBKHLWLJHMSJS-UHFFFAOYSA-N 0 0 317.816 4.131 20 10 DICDRN C[C@@H]1CC[C@H]1NC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000807557361 1051912019 /nfs/dbraw/zinc/91/20/19/1051912019.db2.gz YNIMJWKHLGOPDE-RHSMWYFYSA-N 0 0 316.445 4.035 20 10 DICDRN Cc1cccc(C[N@@H+](C)Cc2cccc(Br)c2[O-])c1 ZINC000768262980 1051913109 /nfs/dbraw/zinc/91/31/09/1051913109.db2.gz NCFBRAGFKOGCIP-UHFFFAOYSA-N 0 0 320.230 4.095 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AZSIASJWNBAWEB-UHFFFAOYSA-N 0 0 322.452 4.174 20 10 DICDRN Cc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1C ZINC000914439363 1052023177 /nfs/dbraw/zinc/02/31/77/1052023177.db2.gz VMIAPCPNURQJFE-UHFFFAOYSA-N 0 0 322.452 4.174 20 10 DICDRN CCN(CC)c1ccc(CN(C)Cc2scnc2C)cc1F ZINC000769320421 1052024218 /nfs/dbraw/zinc/02/42/18/1052024218.db2.gz NYHRHJSWCSMPEP-UHFFFAOYSA-N 0 0 321.465 4.069 20 10 DICDRN CC[C@@H](C)CCC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000808498344 1052035232 /nfs/dbraw/zinc/03/52/32/1052035232.db2.gz LSVPNELUPWQIRT-CQSZACIVSA-N 0 0 322.412 4.161 20 10 DICDRN COc1ccc(F)c(Nc2ccccc2C(=O)c2ccncc2)c1 ZINC001174211953 1052052388 /nfs/dbraw/zinc/05/23/88/1052052388.db2.gz ZBIFVVJNKWFYRR-UHFFFAOYSA-N 0 0 322.339 4.204 20 10 DICDRN C[C@@H]1SCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@H]1C ZINC000769445685 1052056752 /nfs/dbraw/zinc/05/67/52/1052056752.db2.gz KIOYBGGOUDJIEG-IUCAKERBSA-N 0 0 306.258 4.025 20 10 DICDRN CCCn1cc(N(Cc2ccccc2)c2ccc(N)cc2)cn1 ZINC001174220799 1052057731 /nfs/dbraw/zinc/05/77/31/1052057731.db2.gz XQNKKLLOTJEMSK-UHFFFAOYSA-N 0 0 306.413 4.214 20 10 DICDRN CCCn1cc(N(c2ccc(N)cc2)c2ccc(OC)cc2)cn1 ZINC001174219705 1052057797 /nfs/dbraw/zinc/05/77/97/1052057797.db2.gz HWBQSXQQHMROHT-UHFFFAOYSA-N 0 0 322.412 4.354 20 10 DICDRN CCN(C(=O)/C=C\c1cnc2ccccc2n1)c1cccc(C)c1 ZINC000914471911 1052062097 /nfs/dbraw/zinc/06/20/97/1052062097.db2.gz JIADIZSXAPLROI-QXMHVHEDSA-N 0 0 317.392 4.005 20 10 DICDRN CCC[N@H+](Cc1cc(Cl)ccc1[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000769471206 1052063956 /nfs/dbraw/zinc/06/39/56/1052063956.db2.gz QUOPZVDGMGMADD-DJIMGWMZSA-N 0 0 323.864 4.071 20 10 DICDRN Cc1cc(Cl)cc([C@H](C)N[C@@H](C)c2nnc(C(C)C)[nH]2)c1O ZINC000808710009 1052071950 /nfs/dbraw/zinc/07/19/50/1052071950.db2.gz KROMCYBCDSTFES-QWRGUYRKSA-N 0 0 322.840 4.007 20 10 DICDRN CN(C)c1ccc(CN(Cc2ccccc2)CC(F)F)cc1 ZINC000769506668 1052072151 /nfs/dbraw/zinc/07/21/51/1052072151.db2.gz UOJWFALPWBAUCL-UHFFFAOYSA-N 0 0 304.384 4.020 20 10 DICDRN Cc1cc(Cl)cc([C@@H](C)Nc2cnn(CC3CC3)c2)c1O ZINC000808711389 1052073570 /nfs/dbraw/zinc/07/35/70/1052073570.db2.gz FPRCVZDSZUIXBM-LLVKDONJSA-N 0 0 305.809 4.134 20 10 DICDRN Cc1cc(Cl)cc([C@H](C)Nc2cnn(CC(C)C)c2)c1O ZINC000808712000 1052073727 /nfs/dbraw/zinc/07/37/27/1052073727.db2.gz YKERSBVCTYKOJK-LBPRGKRZSA-N 0 0 307.825 4.380 20 10 DICDRN CC(=O)Nc1ccc(N[C@H](C)c2cc(Cl)cc(C)c2O)cc1 ZINC000808712999 1052074591 /nfs/dbraw/zinc/07/45/91/1052074591.db2.gz JKVIOSNJNVMCAZ-LLVKDONJSA-N 0 0 318.804 4.486 20 10 DICDRN CC(C)(C)c1cnc(S[C@@H]2Cc3ccccc3C2=O)s1 ZINC000769524583 1052074758 /nfs/dbraw/zinc/07/47/58/1052074758.db2.gz CVQJZQSDUZXDME-GFCCVEGCSA-N 0 0 303.452 4.340 20 10 DICDRN Nc1ccc(Cc2ccccc2Nc2ccc3n[nH]cc3c2)cc1 ZINC001174274206 1052083895 /nfs/dbraw/zinc/08/38/95/1052083895.db2.gz UFBQBHLQUDHEJZ-UHFFFAOYSA-N 0 0 314.392 4.480 20 10 DICDRN Nc1ccc(N(c2ccccc2)c2ccc3nccn3c2)cc1 ZINC001174278505 1052085260 /nfs/dbraw/zinc/08/52/60/1052085260.db2.gz XBXXFCBJCQMCNV-UHFFFAOYSA-N 0 0 300.365 4.386 20 10 DICDRN CCSc1cccc(/C=C2/SC(=S)N(C3CC3)C2=O)c1 ZINC000769723295 1052097997 /nfs/dbraw/zinc/09/79/97/1052097997.db2.gz LWPKYICVECWBHZ-UKTHLTGXSA-N 0 0 321.492 4.162 20 10 DICDRN N[C@H](CC1CCCC1)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217705649 1052121541 /nfs/dbraw/zinc/12/15/41/1052121541.db2.gz GBQGRNTZFKFQGJ-QGZVFWFLSA-N 0 0 322.412 4.107 20 10 DICDRN Cc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)s1 ZINC000914507007 1052122894 /nfs/dbraw/zinc/12/28/94/1052122894.db2.gz XJMXGEAGXITRND-UHFFFAOYSA-N 0 0 316.470 4.173 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC1CCCCC1 ZINC000914506394 1052124782 /nfs/dbraw/zinc/12/47/82/1052124782.db2.gz KVVIRLOYGLWJCI-UHFFFAOYSA-N 0 0 316.489 4.460 20 10 DICDRN Cc1ccccc1CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000914505581 1052125137 /nfs/dbraw/zinc/12/51/37/1052125137.db2.gz MDEHWYNBNHZSHT-UHFFFAOYSA-N 0 0 324.468 4.041 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCC1CCCC1 ZINC000914506263 1052125458 /nfs/dbraw/zinc/12/54/58/1052125458.db2.gz JWNWAZVPEUCNGC-UHFFFAOYSA-N 0 0 316.489 4.460 20 10 DICDRN COc1ccc(NCc2cc(C)c(C)cc2O)c2ncccc12 ZINC000769942031 1052133771 /nfs/dbraw/zinc/13/37/71/1052133771.db2.gz GUQAQVXPSPWIOF-UHFFFAOYSA-N 0 0 308.381 4.178 20 10 DICDRN C[C@@H](Nc1cnn(C)c1C1CC1)c1ccc2ccccc2c1O ZINC000769979575 1052135319 /nfs/dbraw/zinc/13/53/19/1052135319.db2.gz HPXPGFNAHHEMMF-GFCCVEGCSA-N 0 0 307.397 4.329 20 10 DICDRN COc1ccc(N[C@@H](C)c2ccc(C)cc2O)c2ncccc12 ZINC000770002112 1052138516 /nfs/dbraw/zinc/13/85/16/1052138516.db2.gz JMMLGXVFUOYXPV-ZDUSSCGKSA-N 0 0 308.381 4.431 20 10 DICDRN COc1ccc(N[C@@H](C)c2cc(C)ccc2O)c2ncccc12 ZINC000770006583 1052141567 /nfs/dbraw/zinc/14/15/67/1052141567.db2.gz YIHARORVIGPBSU-ZDUSSCGKSA-N 0 0 308.381 4.431 20 10 DICDRN CC(C)Oc1ccc(COCc2ccc(N)cc2)cc1Cl ZINC001217929854 1052171857 /nfs/dbraw/zinc/17/18/57/1052171857.db2.gz FUXYGJNMYCXTTQ-UHFFFAOYSA-N 0 0 305.805 4.426 20 10 DICDRN Nc1ccc(O[C@@H](C(=O)c2ccccc2)c2ccccc2)cc1 ZINC001218214630 1052209018 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Cc1cccc(C(C)C)c1NC(=S)NCc1cccc(F)n1 ZINC001200407908 1053638973 /nfs/dbraw/zinc/63/89/73/1053638973.db2.gz XGMZZUDSVMKCKB-UHFFFAOYSA-N 0 0 317.433 4.139 20 10 DICDRN C/C(=C/c1ccc(C)cc1)C(=O)NCc1cc(Cl)ccc1O ZINC001300396123 1053659277 /nfs/dbraw/zinc/65/92/77/1053659277.db2.gz KIJCTNVZVPDIDF-LCYFTJDESA-N 0 0 315.800 4.074 20 10 DICDRN C[C@@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001353911228 1053704301 /nfs/dbraw/zinc/70/43/01/1053704301.db2.gz OJIBNIZHCNPHJF-QGZVFWFLSA-N 0 0 322.452 4.049 20 10 DICDRN CO[C@H](C)COc1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1 ZINC001231298828 1053721146 /nfs/dbraw/zinc/72/11/46/1053721146.db2.gz WAGCPOANEQLJAI-PFFGMESJSA-N 0 0 315.329 4.424 20 10 DICDRN CC1(C)CCC(CNC(=O)NCc2cccc(Cl)c2O)CC1 ZINC001231364886 1053735615 /nfs/dbraw/zinc/73/56/15/1053735615.db2.gz LDWZWJYZMBPVJQ-UHFFFAOYSA-N 0 0 324.852 4.061 20 10 DICDRN C[C@H](NC(=O)C1CCC(C2CC2)CC1)c1ccc(N(C)C)cc1 ZINC001435953552 1053735869 /nfs/dbraw/zinc/73/58/69/1053735869.db2.gz 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Cc1cc([C@@H](C)NCc2cc(F)c(N(C)C)cc2F)c(C)o1 ZINC001328759017 1053954186 /nfs/dbraw/zinc/95/41/86/1053954186.db2.gz ZUTPZCBVFUINJH-LLVKDONJSA-N 0 0 308.372 4.091 20 10 DICDRN COc1cccc(CNc2ccccc2OCC(C)C)c1O ZINC000076272091 1053968221 /nfs/dbraw/zinc/96/82/21/1053968221.db2.gz LEAVCKLCUJRXQJ-UHFFFAOYSA-N 0 0 301.386 4.048 20 10 DICDRN CC[N@H+](Cc1ccccc1)Cc1cc(Cl)c(OC)cc1O ZINC001232264661 1054004972 /nfs/dbraw/zinc/00/49/72/1054004972.db2.gz LOEPHXXTZYVHOZ-UHFFFAOYSA-N 0 0 305.805 4.076 20 10 DICDRN COc1cc(O)c(C[N@H+](Cc2ccccc2)C(C)C)cc1Cl ZINC001232264584 1054007475 /nfs/dbraw/zinc/00/74/75/1054007475.db2.gz JHTONHLCICGOHP-UHFFFAOYSA-N 0 0 319.832 4.465 20 10 DICDRN COc1cc(O)c(C[N@@H+]2CCC3(C2)CCCCC3)cc1Cl ZINC001232271520 1054009382 /nfs/dbraw/zinc/00/93/82/1054009382.db2.gz VSJSTFYBSBCHIQ-UHFFFAOYSA-N 0 0 309.837 4.210 20 10 DICDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H]2C=CCC2)c1 ZINC001437515243 1054059622 /nfs/dbraw/zinc/05/96/22/1054059622.db2.gz DXDPMTSPKNUGCK-AWEZNQCLSA-N 0 0 314.816 4.196 20 10 DICDRN CCN(Cc1ccccc1O)Cc1ncc(Cl)cc1Cl ZINC001232575060 1054072927 /nfs/dbraw/zinc/07/29/27/1054072927.db2.gz MLOWNRFIIZVXGI-UHFFFAOYSA-N 0 0 311.212 4.116 20 10 DICDRN COc1cc(N[C@H](C)c2ccccc2O)ccc1OC(C)C ZINC000184622995 1054101518 /nfs/dbraw/zinc/10/15/18/1054101518.db2.gz YFKOBODKLYGYFZ-CYBMUJFWSA-N 0 0 301.386 4.361 20 10 DICDRN C/C=C(\CC)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC001438176842 1054147135 /nfs/dbraw/zinc/14/71/35/1054147135.db2.gz IGMLIJXTGKFUHM-YAXRCOADSA-N 0 0 310.441 4.109 20 10 DICDRN C[C@@H]([NH2+][C@H](C)C1CCC(F)(F)CC1)c1ccc(F)cc1[O-] ZINC000848568068 1054154774 /nfs/dbraw/zinc/15/47/74/1054154774.db2.gz XQFUJRIKSQYCOR-GHMZBOCLSA-N 0 0 301.352 4.396 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)c1ccc(F)cc1[O-] ZINC000848570359 1054154941 /nfs/dbraw/zinc/15/49/41/1054154941.db2.gz KMOOQBPBNOKLPM-GOEBONIOSA-N 0 0 307.409 4.064 20 10 DICDRN CCC[C@@H](C)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001438316096 1054165604 /nfs/dbraw/zinc/16/56/04/1054165604.db2.gz 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ZINC001560727468 1060594882 /nfs/dbraw/zinc/59/48/82/1060594882.db2.gz IMPQYNJDXATELR-QGZVFWFLSA-N 0 0 303.352 4.316 20 10 DICDRN C[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)c2ccccc2O1 ZINC001560733868 1060600692 /nfs/dbraw/zinc/60/06/92/1060600692.db2.gz COUCAICSHNPOQG-FYCOFBDGSA-N 0 0 308.425 4.053 20 10 DICDRN CC(C)C1CCC(CN2CCOc3cc(N(C)C)ccc32)CC1 ZINC001560736140 1060603706 /nfs/dbraw/zinc/60/37/06/1060603706.db2.gz MHRVMYXUKGFRFU-UHFFFAOYSA-N 0 0 316.489 4.414 20 10 DICDRN Oc1ccc(Cl)c(F)c1CN1CCc2c1cccc2Cl ZINC001560745601 1060611529 /nfs/dbraw/zinc/61/15/29/1060611529.db2.gz UMUQLQIUUNVIFF-UHFFFAOYSA-N 0 0 312.171 4.401 20 10 DICDRN CCN(Cc1cc(C)cc(OC)c1O)c1ccc2[nH]ccc2c1 ZINC001560764846 1060630489 /nfs/dbraw/zinc/63/04/89/1060630489.db2.gz SDPFNGKQDFCZCK-UHFFFAOYSA-N 0 0 310.397 4.217 20 10 DICDRN Cc1ccccc1[C@]1(F)CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001560786557 1060649861 /nfs/dbraw/zinc/64/98/61/1060649861.db2.gz XQOKDEAIALOEOU-SFHVURJKSA-N 0 0 321.342 4.050 20 10 DICDRN Cc1nc(Cl)ccc1NC/C=C\c1ccc(N(C)C)cc1 ZINC001560795863 1060655568 /nfs/dbraw/zinc/65/55/68/1060655568.db2.gz HNUARDSFSAKJMK-PLNGDYQASA-N 0 0 301.821 4.235 20 10 DICDRN [O-]c1c(Br)cccc1C[NH2+][C@@H]1CCCC12CCCC2 ZINC001560807456 1060668499 /nfs/dbraw/zinc/66/84/99/1060668499.db2.gz GCVNHAKQWVDOBJ-CQSZACIVSA-N 0 0 324.262 4.357 20 10 DICDRN C[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001560821191 1060679610 /nfs/dbraw/zinc/67/96/10/1060679610.db2.gz NSNWLVAIOFYPPT-YVEFUNNKSA-N 0 0 303.352 4.254 20 10 DICDRN Oc1cccc(Nc2cnc(Cl)c(Cl)c2Cl)c1O ZINC001250200820 1060680014 /nfs/dbraw/zinc/68/00/14/1060680014.db2.gz WYHFBSFGCOHROE-UHFFFAOYSA-N 0 0 305.548 4.197 20 10 DICDRN COc1ccc2cc(NCc3c(C)cc(OC)cc3O)ccc2c1 ZINC001560825426 1060685141 /nfs/dbraw/zinc/68/51/41/1060685141.db2.gz MDMKCOBUMFSZME-UHFFFAOYSA-N 0 0 323.392 4.483 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]C1(Cc2ccc(F)cc2)CC1 ZINC001560832926 1060690973 /nfs/dbraw/zinc/69/09/73/1060690973.db2.gz RVPMNRGCQSNIGK-UHFFFAOYSA-N 0 0 305.780 4.050 20 10 DICDRN CC1(C)CCN(Cc2cc(F)cc(F)c2O)c2ccccc21 ZINC001560863198 1060721833 /nfs/dbraw/zinc/72/18/33/1060721833.db2.gz KYGVTUGZAZUCKV-UHFFFAOYSA-N 0 0 303.352 4.358 20 10 DICDRN CC(C)[C@@](C)(Cc1ccccc1)[NH2+]Cc1cccc(F)c1[O-] ZINC001560968433 1060833206 /nfs/dbraw/zinc/83/32/06/1060833206.db2.gz LCKHZHGQYLHASJ-LJQANCHMSA-N 0 0 301.405 4.278 20 10 DICDRN CC(C)c1ccc(O)c(CNc2cccc3c2OCCCO3)c1 ZINC001560980451 1060844806 /nfs/dbraw/zinc/84/48/06/1060844806.db2.gz RWHIXFDDQZVWBS-UHFFFAOYSA-N 0 0 313.397 4.289 20 10 DICDRN Fc1cc(F)c(F)c2nc(-c3ccc(N4CCCC4)cc3)[nH]c21 ZINC001250489726 1060844979 /nfs/dbraw/zinc/84/49/79/1060844979.db2.gz DSESFPINKAEPNC-UHFFFAOYSA-N 0 0 317.314 4.247 20 10 DICDRN CCOc1ccc2nc(-c3ccc(N4CCCC4)cc3)n(C)c2c1 ZINC001250490085 1060846140 /nfs/dbraw/zinc/84/61/40/1060846140.db2.gz QQAVVHJMGDQLKK-UHFFFAOYSA-N 0 0 321.424 4.239 20 10 DICDRN Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001561001316 1060860546 /nfs/dbraw/zinc/86/05/46/1060860546.db2.gz QHCSTJYLBNWHJY-JTQLQIEISA-N 0 0 311.759 4.483 20 10 DICDRN Oc1c(F)cccc1CNc1ccc2c(c1)C=CC1(CCC1)O2 ZINC001561005011 1060862732 /nfs/dbraw/zinc/86/27/32/1060862732.db2.gz CBXKTYNCACVPPB-UHFFFAOYSA-N 0 0 311.356 4.472 20 10 DICDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC(C)=C(C)C2)c1 ZINC001462156579 1060978924 /nfs/dbraw/zinc/97/89/24/1060978924.db2.gz IJUCVNQOFRTMJO-UHFFFAOYSA-N 0 0 310.235 4.005 20 10 DICDRN CCCCN(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC001473224429 1061003327 /nfs/dbraw/zinc/00/33/27/1061003327.db2.gz BBIKNTBFPVZNRT-UHFFFAOYSA-N 0 0 303.427 4.326 20 10 DICDRN Cc1ncccc1CN1CCCc2cc(OC(F)(F)F)ccc21 ZINC001473236667 1061015060 /nfs/dbraw/zinc/01/50/60/1061015060.db2.gz YGPPZMPQMIRTDG-UHFFFAOYSA-N 0 0 322.330 4.241 20 10 DICDRN COc1ccc2c(c1)nc(-c1ccc(N3CCCCC3)cc1)n2C ZINC001250687985 1061018183 /nfs/dbraw/zinc/01/81/83/1061018183.db2.gz ZZOCXZSYCLBBIJ-UHFFFAOYSA-N 0 0 321.424 4.239 20 10 DICDRN C[C@@]1(c2ccccc2)CCC[N@H+](Cc2cccc(F)c2[O-])CC1 ZINC001462225979 1061042453 /nfs/dbraw/zinc/04/24/53/1061042453.db2.gz PHIZBTGAQBZBGB-HXUWFJFHSA-N 0 0 313.416 4.475 20 10 DICDRN CCN(CCCc1ccsc1)c1ccc(OC)c(OC)c1 ZINC001473269513 1061042851 /nfs/dbraw/zinc/04/28/51/1061042851.db2.gz NEYCGQHBTMKEAD-UHFFFAOYSA-N 0 0 305.443 4.224 20 10 DICDRN COc1ccc2c(c1)CCCCN2Cc1cc(O)ccc1Cl ZINC001473289587 1061060295 /nfs/dbraw/zinc/06/02/95/1061060295.db2.gz MNBBHUSCPYXJPR-UHFFFAOYSA-N 0 0 317.816 4.397 20 10 DICDRN COc1ccc2c(c1)CCCCN2Cc1cc(F)ccc1F ZINC001473289907 1061061360 /nfs/dbraw/zinc/06/13/60/1061061360.db2.gz QHIJMSWMZVNLSW-UHFFFAOYSA-N 0 0 303.352 4.316 20 10 DICDRN CCSc1ccccc1CN(C)c1ccc(OC)cc1OC ZINC001473294230 1061062264 /nfs/dbraw/zinc/06/22/64/1061062264.db2.gz JCCHAKHPOLGXIV-UHFFFAOYSA-N 0 0 317.454 4.452 20 10 DICDRN Cc1ccc(CNc2ccc(SC(F)(F)F)nc2)c(O)c1 ZINC001462342277 1061117791 /nfs/dbraw/zinc/11/77/91/1061117791.db2.gz LMZNWIHHXWCETA-UHFFFAOYSA-N 0 0 314.332 4.320 20 10 DICDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2CC1(SC)CC1 ZINC001462364705 1061129786 /nfs/dbraw/zinc/12/97/86/1061129786.db2.gz HJMLCTIQXTVECT-OAHLLOKOSA-N 0 0 305.487 4.226 20 10 DICDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2CC1(SC)CC1 ZINC001462364696 1061129842 /nfs/dbraw/zinc/12/98/42/1061129842.db2.gz HJMLCTIQXTVECT-HNNXBMFYSA-N 0 0 305.487 4.226 20 10 DICDRN CON(Cc1ccc(N(C)C)c(C)c1)C[C@H]1CCC[C@H](C)C1 ZINC001473524005 1061222723 /nfs/dbraw/zinc/22/27/23/1061222723.db2.gz CSWOZDXFNCQYGK-RDJZCZTQSA-N 0 0 304.478 4.251 20 10 DICDRN Cc1c(Cl)ccc2c1C[N@H+](Cc1ccc(F)c(F)c1[O-])CC2 ZINC001462520664 1061229785 /nfs/dbraw/zinc/22/97/85/1061229785.db2.gz KVRPVAXFTDNHIN-UHFFFAOYSA-N 0 0 323.770 4.191 20 10 DICDRN CC[C@H](CC1CCCCC1)C(=O)NCc1c(O)cccc1F ZINC001456027747 1061258930 /nfs/dbraw/zinc/25/89/30/1061258930.db2.gz FYCDNAORIMWKJP-CQSZACIVSA-N 0 0 307.409 4.144 20 10 DICDRN COc1cccc(NCc2cc(C(C)C)ccc2O)c1OC ZINC001462577721 1061273920 /nfs/dbraw/zinc/27/39/20/1061273920.db2.gz FEFMQXQMQYTUSM-UHFFFAOYSA-N 0 0 301.386 4.145 20 10 DICDRN CC[C@H](C)n1c2ccc(C)cc2nc1-c1cc(O)c(O)c(O)c1 ZINC001251248423 1061292303 /nfs/dbraw/zinc/29/23/03/1061292303.db2.gz QGBFXUZWYFXACZ-NSHDSACASA-N 0 0 312.369 4.100 20 10 DICDRN Cc1ccc(C(=O)NCc2c(O)ccc3ccccc32)cc1C ZINC001456307835 1061296107 /nfs/dbraw/zinc/29/61/07/1061296107.db2.gz DHDOCBFPPBYXEP-UHFFFAOYSA-N 0 0 305.377 4.092 20 10 DICDRN CCCN(C)C(=O)c1cc(-n2c(C)ccc2C)ccc1Cl ZINC001251346435 1061327044 /nfs/dbraw/zinc/32/70/44/1061327044.db2.gz AYRCVNDDTKHHPO-UHFFFAOYSA-N 0 0 304.821 4.230 20 10 DICDRN Oc1cc(Br)ccc1C[NH2+]C[C@H]1C[C@H]1C1CCCC1 ZINC001462669206 1061327293 /nfs/dbraw/zinc/32/72/93/1061327293.db2.gz SDKLFPKZQSFIPP-HIFRSBDPSA-N 0 0 324.262 4.071 20 10 DICDRN CC[C@@H](C)n1c2cc(C)ccc2nc1-c1cc(O)c(O)cc1O ZINC001251358869 1061332769 /nfs/dbraw/zinc/33/27/69/1061332769.db2.gz SAWDZHPBIWYWKY-LLVKDONJSA-N 0 0 312.369 4.100 20 10 DICDRN CC[C@H](C)[C@@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001456589620 1061341174 /nfs/dbraw/zinc/34/11/74/1061341174.db2.gz NWICXFMZPUIYJO-GOEBONIOSA-N 0 0 312.457 4.187 20 10 DICDRN CCOc1ccc(N(Cc2nc(C)cs2)CC2CC2)cc1 ZINC001473718922 1061367853 /nfs/dbraw/zinc/36/78/53/1061367853.db2.gz XOMZISQXIROBLE-UHFFFAOYSA-N 0 0 302.443 4.267 20 10 DICDRN CCOc1ccc(N(C)CCc2nsc3ccccc23)cc1 ZINC001473774839 1061402324 /nfs/dbraw/zinc/40/23/24/1061402324.db2.gz BOHDTYUXWXVDIP-UHFFFAOYSA-N 0 0 312.438 4.374 20 10 DICDRN CC[C@@H](O)CNc1ccc(/C=C/c2ccc(N(C)C)cc2)cc1 ZINC001251796082 1061488984 /nfs/dbraw/zinc/48/89/84/1061488984.db2.gz RPFXBRAUSXPIFS-RRFGBZISSA-N 0 0 310.441 4.106 20 10 DICDRN CCCc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001463601050 1061501153 /nfs/dbraw/zinc/50/11/53/1061501153.db2.gz WLKFADFIFLOJSU-UHFFFAOYSA-N 0 0 310.357 4.054 20 10 DICDRN CCCCC[C@](C)(CC)C(=O)NCc1ccc(N(C)C)cc1 ZINC001463723779 1061513585 /nfs/dbraw/zinc/51/35/85/1061513585.db2.gz IWOXQHRVJCWYRB-IBGZPJMESA-N 0 0 304.478 4.365 20 10 DICDRN CC(C)(C)c1ccc2c(c1)CCCN2C(=O)/C=C\c1cccnc1 ZINC001457997278 1061536278 /nfs/dbraw/zinc/53/62/78/1061536278.db2.gz BCZOAESHEHMXSW-FLIBITNWSA-N 0 0 320.436 4.372 20 10 DICDRN Cc1ccccc1OCCC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001473992860 1061537321 /nfs/dbraw/zinc/53/73/21/1061537321.db2.gz FXCVEPBWGMLERB-UHFFFAOYSA-N 0 0 323.795 4.052 20 10 DICDRN O=C1c2ccccc2-c2cccc(NC[C@@H](O)c3ccccc3)c21 ZINC001251999489 1061552471 /nfs/dbraw/zinc/55/24/71/1061552471.db2.gz QJIBHTODFADRKQ-LJQANCHMSA-N 0 0 315.372 4.044 20 10 DICDRN C[C@@H](c1ccc(Cl)cc1)N(C(=O)C1=CC(=O)CS1)C1CC1 ZINC001464334721 1061578616 /nfs/dbraw/zinc/57/86/16/1061578616.db2.gz QKDYXFWFWXZXFB-JTQLQIEISA-N 0 0 321.829 4.473 20 10 DICDRN CC(C)(C)C1CCC(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC001474045894 1061592548 /nfs/dbraw/zinc/59/25/48/1061592548.db2.gz VYUGFSLMSSIBJO-UHFFFAOYSA-N 0 0 320.433 4.243 20 10 DICDRN Cc1cc(C(=O)NC[C@H](C)C2CC2)c(C)n1-c1ccc(F)cc1 ZINC001464447200 1061593063 /nfs/dbraw/zinc/59/30/63/1061593063.db2.gz BIAHXNVWRLMUOS-LBPRGKRZSA-N 0 0 314.404 4.009 20 10 DICDRN CC(C)Oc1ccc(NC/C=C\c2ccc(N(C)C)cc2)cn1 ZINC001474079387 1061626374 /nfs/dbraw/zinc/62/63/74/1061626374.db2.gz MKXVUSMYHJJWPS-WAYWQWQTSA-N 0 0 311.429 4.060 20 10 DICDRN C[C@H]1COC[C@@H]1NC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC001464896981 1061645169 /nfs/dbraw/zinc/64/51/69/1061645169.db2.gz BVQXFFRYSQKSIM-GUYCJALGSA-N 0 0 324.384 4.258 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)[C@]2(C)CCC[C@H]2C)cc1F ZINC001465003573 1061662693 /nfs/dbraw/zinc/66/26/93/1061662693.db2.gz CDZSBQHHULWANW-AUUYWEPGSA-N 0 0 320.452 4.114 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)[C@]2(C)CCC[C@@H]2C)cc1F ZINC001465003587 1061662785 /nfs/dbraw/zinc/66/27/85/1061662785.db2.gz CDZSBQHHULWANW-IFXJQAMLSA-N 0 0 320.452 4.114 20 10 DICDRN Cc1ccccc1/N=N/c1ccc(NS(C)(=O)=O)c(C)c1 ZINC001252733137 1061705170 /nfs/dbraw/zinc/70/51/70/1061705170.db2.gz JAQLUGZGUWZJLA-WUKNDPDISA-N 0 0 303.387 4.090 20 10 DICDRN CCCOc1ccc(CN[C@H](C2CC2)C(F)(F)F)cc1C ZINC001474168819 1061716330 /nfs/dbraw/zinc/71/63/30/1061716330.db2.gz LFHQRISEFZESSU-OAHLLOKOSA-N 0 0 301.352 4.214 20 10 DICDRN CC[C@@H](C)[C@H](C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC001465270284 1061723156 /nfs/dbraw/zinc/72/31/56/1061723156.db2.gz DCMRQDDASILSBS-OCCSQVGLSA-N 0 0 316.420 4.398 20 10 DICDRN CC(C)[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1F ZINC001474203383 1061758238 /nfs/dbraw/zinc/75/82/38/1061758238.db2.gz OROWYLILGBAZTJ-MRXNPFEDSA-N 0 0 309.331 4.296 20 10 DICDRN CC1(C)C[C@]1(C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC001474219375 1061778207 /nfs/dbraw/zinc/77/82/07/1061778207.db2.gz ZLWXGUJPVBPMNS-IBGZPJMESA-N 0 0 317.379 4.128 20 10 DICDRN Cc1c2ccccc2n(C)c1CNc1cncc(C(F)F)c1 ZINC001474243310 1061807420 /nfs/dbraw/zinc/80/74/20/1061807420.db2.gz FHSDBOAXIQGYSH-UHFFFAOYSA-N 0 0 301.340 4.431 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CC1(CC2CC2)CC1 ZINC001474250057 1061820774 /nfs/dbraw/zinc/82/07/74/1061820774.db2.gz DLJMTRZLVFRUMY-UHFFFAOYSA-N 0 0 300.229 4.369 20 10 DICDRN Cc1cccnc1[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC001474298112 1061867955 /nfs/dbraw/zinc/86/79/55/1061867955.db2.gz MDJLTWXAPBHPOH-JTQLQIEISA-N 0 0 311.212 4.253 20 10 DICDRN Cc1cc(C(=O)N(C)CCC2CC2)c(C)n1-c1cccc(C)c1 ZINC001466184778 1061892011 /nfs/dbraw/zinc/89/20/11/1061892011.db2.gz QDDPIFDGJUJUTR-UHFFFAOYSA-N 0 0 310.441 4.275 20 10 DICDRN Cc1nc(CSc2ncc(-c3ccccc3)n2C)c(C)s1 ZINC001253485352 1061901737 /nfs/dbraw/zinc/90/17/37/1061901737.db2.gz SXQJXBORMFJJKF-UHFFFAOYSA-N 0 0 315.467 4.453 20 10 DICDRN Cc1ncccc1/C=C/C(=O)N1CCC[C@@H](C)c2ccccc21 ZINC001458800062 1061906558 /nfs/dbraw/zinc/90/65/58/1061906558.db2.gz YPIJIMUQKRJXKW-AYJWMTRPSA-N 0 0 306.409 4.334 20 10 DICDRN Oc1ccc(F)cc1CNc1ccc(Cl)c(OC(F)F)c1 ZINC001474388156 1062037611 /nfs/dbraw/zinc/03/76/11/1062037611.db2.gz BBYKEKCCPSCKSJ-UHFFFAOYSA-N 0 0 317.694 4.398 20 10 DICDRN CC(C)(C)CN(C(=O)/C=C/c1cncc(F)c1)c1ccccc1 ZINC001459221874 1062047393 /nfs/dbraw/zinc/04/73/93/1062047393.db2.gz CORAXSDSYHQUKL-MDZDMXLPSA-N 0 0 312.388 4.313 20 10 DICDRN CN(C)c1ccc(/C=C\CN(C)Cc2ccc(F)cc2F)cc1 ZINC001474413034 1062077994 /nfs/dbraw/zinc/07/79/94/1062077994.db2.gz RFXDJNGBKFWPFU-PLNGDYQASA-N 0 0 316.395 4.176 20 10 DICDRN Cc1ccc(/C=C\C(=O)N2CCc3cc(C(C)(C)C)ccc32)cn1 ZINC001459305309 1062078770 /nfs/dbraw/zinc/07/87/70/1062078770.db2.gz XCJKVFHNJLYQHZ-YFHOEESVSA-N 0 0 320.436 4.290 20 10 DICDRN Cc1ccc2c(c1)N(Cc1c(O)ccc(Cl)c1F)CCC2 ZINC001474431952 1062105805 /nfs/dbraw/zinc/10/58/05/1062105805.db2.gz PUUAIAZLKLHSGE-UHFFFAOYSA-N 0 0 305.780 4.446 20 10 DICDRN COc1ccc(N(C)C[C@@H](C)c2cc(F)cc(F)c2)cc1F ZINC001474431902 1062106211 /nfs/dbraw/zinc/10/62/11/1062106211.db2.gz RJEOYUINNWRMCS-LLVKDONJSA-N 0 0 309.331 4.352 20 10 DICDRN CC(C)Oc1ccc(N(C)Cc2ccc3nccnc3c2)cc1 ZINC001474441833 1062117023 /nfs/dbraw/zinc/11/70/23/1062117023.db2.gz COVOKWWMNREAGA-UHFFFAOYSA-N 0 0 307.397 4.053 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1cccc2c1CCC2 ZINC001467498360 1062140626 /nfs/dbraw/zinc/14/06/26/1062140626.db2.gz WGFUXAFEYXTKTJ-UHFFFAOYSA-N 0 0 323.436 4.323 20 10 DICDRN CC(C)[C@H]1CN(Cc2cc(F)c(F)cc2O)c2ccccc21 ZINC001474489517 1062167267 /nfs/dbraw/zinc/16/72/67/1062167267.db2.gz ZZZXBICUASCLKC-CQSZACIVSA-N 0 0 303.352 4.430 20 10 DICDRN Cc1cc(N(C)C)ccc1CNc1cnn(C)c1-c1ccccc1 ZINC001474514452 1062197794 /nfs/dbraw/zinc/19/77/94/1062197794.db2.gz YHDHQXSQWAUOTG-UHFFFAOYSA-N 0 0 320.440 4.074 20 10 DICDRN C[C@@H](c1ccccc1)[N@H+](Cc1cc(F)cc(F)c1[O-])C1CC1 ZINC001474515360 1062198088 /nfs/dbraw/zinc/19/80/88/1062198088.db2.gz CYNOSVRAKDALSV-LBPRGKRZSA-N 0 0 303.352 4.396 20 10 DICDRN CC[N@H+](Cc1cc(C)cc(Br)c1[O-])C1CCCC1 ZINC001474517354 1062201139 /nfs/dbraw/zinc/20/11/39/1062201139.db2.gz SHKXJHPEVSQOSU-UHFFFAOYSA-N 0 0 312.251 4.228 20 10 DICDRN COc1cc(C)cc(CNc2cccc(OC(C)C)c2)c1O ZINC001474536539 1062220841 /nfs/dbraw/zinc/22/08/41/1062220841.db2.gz ISPBWDFNPDRHTB-UHFFFAOYSA-N 0 0 301.386 4.109 20 10 DICDRN Cc1cc(CN2C[C@@H](C)OC[C@@H]2c2ccccc2)ccc1N(C)C ZINC001459580971 1062223043 /nfs/dbraw/zinc/22/30/43/1062223043.db2.gz SAWRFWLNCZGIFO-DYESRHJHSA-N 0 0 324.468 4.023 20 10 DICDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC2(CCC2)[C@@H]1c1ccccc1 ZINC001474552304 1062249609 /nfs/dbraw/zinc/24/96/09/1062249609.db2.gz FSYPXZBGWZLTFD-SFHVURJKSA-N 0 0 315.363 4.398 20 10 DICDRN CNc1ccc(C)cc1CN1CCCCc2cc(OC)ccc21 ZINC001474557562 1062257534 /nfs/dbraw/zinc/25/75/34/1062257534.db2.gz UCKAVRYCEWJGLU-UHFFFAOYSA-N 0 0 310.441 4.388 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)N2[C@H](C)CCC2(C)C)cc1 ZINC001468121749 1062264875 /nfs/dbraw/zinc/26/48/75/1062264875.db2.gz UUTUQUQNCHWLSD-OAHLLOKOSA-N 0 0 317.477 4.005 20 10 DICDRN CC(C)c1ccc(O)c(CNc2cc(F)cc(N(C)C)c2)c1 ZINC001474604482 1062319613 /nfs/dbraw/zinc/31/96/13/1062319613.db2.gz GCTNZWQARDVINH-UHFFFAOYSA-N 0 0 302.393 4.333 20 10 DICDRN COc1ccc(N(C)Cc2ccsc2C(F)(F)F)cc1 ZINC001474614342 1062330747 /nfs/dbraw/zinc/33/07/47/1062330747.db2.gz WYKGRXNYWYZKNE-UHFFFAOYSA-N 0 0 301.333 4.412 20 10 DICDRN COc1ccc(N(C)Cc2scnc2Cl)cc1Cl ZINC001459715917 1062330760 /nfs/dbraw/zinc/33/07/60/1062330760.db2.gz LMLGXVLBIXWTDA-UHFFFAOYSA-N 0 0 303.214 4.095 20 10 DICDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC001474644118 1062365750 /nfs/dbraw/zinc/36/57/50/1062365750.db2.gz JUIGATLBINDIQH-CQSZACIVSA-N 0 0 309.400 4.463 20 10 DICDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@H](C2CCCCC2)C1 ZINC001474644117 1062366051 /nfs/dbraw/zinc/36/60/51/1062366051.db2.gz JUIGATLBINDIQH-AWEZNQCLSA-N 0 0 309.400 4.463 20 10 DICDRN CN(Cc1cc(Cl)sc1Cl)c1ccc2c(c1)OCO2 ZINC001459775056 1062389636 /nfs/dbraw/zinc/38/96/36/1062389636.db2.gz QZICBNUXNWJLSD-UHFFFAOYSA-N 0 0 316.209 4.420 20 10 DICDRN COc1ccc2c(c1)CCCCN2C[C@H]1CCCC(C)(C)O1 ZINC001459777512 1062392501 /nfs/dbraw/zinc/39/25/01/1062392501.db2.gz GRSGDYXGSMLUII-QGZVFWFLSA-N 0 0 303.446 4.186 20 10 DICDRN CC[C@H]1CC[C@H](C(=O)Nc2c3nonc3ccc2Cl)CC1 ZINC001459790077 1062402930 /nfs/dbraw/zinc/40/29/30/1062402930.db2.gz VENUQBVYTWUISW-MGCOHNPYSA-N 0 0 307.781 4.031 20 10 DICDRN CCc1ccc(N(CC(C)C)C(=O)/C=C/c2cccnc2)cc1 ZINC001459812626 1062416578 /nfs/dbraw/zinc/41/65/78/1062416578.db2.gz QHSAMHUMOWMVNI-FMIVXFBMSA-N 0 0 308.425 4.346 20 10 DICDRN C[C@@H](CC(C)(C)c1ccccc1)[NH2+]Cc1c([O-])cccc1F ZINC001474716502 1062441809 /nfs/dbraw/zinc/44/18/09/1062441809.db2.gz OCGXBCWDZOBABW-AWEZNQCLSA-N 0 0 301.405 4.377 20 10 DICDRN C[C@H](CC(C)(C)c1ccccc1)[NH2+]Cc1c([O-])cccc1F ZINC001474716503 1062442893 /nfs/dbraw/zinc/44/28/93/1062442893.db2.gz OCGXBCWDZOBABW-CQSZACIVSA-N 0 0 301.405 4.377 20 10 DICDRN COc1cc(C)cc(CNc2ccc(-c3ocnc3C)cc2)c1O ZINC001474715306 1062443182 /nfs/dbraw/zinc/44/31/82/1062443182.db2.gz FBSJUSXDUPESNK-UHFFFAOYSA-N 0 0 324.380 4.285 20 10 DICDRN C[C@H](NC(=O)NCCCCC1CCCC1)c1ccccc1O ZINC001468963761 1062450408 /nfs/dbraw/zinc/45/04/08/1062450408.db2.gz FGNHEIANJQUSRE-AWEZNQCLSA-N 0 0 304.434 4.113 20 10 DICDRN CN(C)c1ccc2c(c1)OCCN2Cc1ccccc1C1CC1 ZINC001459873805 1062462052 /nfs/dbraw/zinc/46/20/52/1062462052.db2.gz DQRJLGKSZAPQLH-UHFFFAOYSA-N 0 0 308.425 4.029 20 10 DICDRN CCC(CC)(CC)CNC(=O)NCc1cccc(Cl)c1O ZINC001469349107 1062534105 /nfs/dbraw/zinc/53/41/05/1062534105.db2.gz QWBGILHHPKCNJM-UHFFFAOYSA-N 0 0 312.841 4.061 20 10 DICDRN CCON(C(=O)c1cc(C)ccc1-n1c(C)ccc1C)C(C)C ZINC001469457602 1062558678 /nfs/dbraw/zinc/55/86/78/1062558678.db2.gz SKIIDGXROWCIFD-UHFFFAOYSA-N 0 0 314.429 4.205 20 10 DICDRN Cc1ccc(C)n1-c1ccc(-c2nnc(C3CCOCC3)o2)cc1 ZINC001255738835 1062563412 /nfs/dbraw/zinc/56/34/12/1062563412.db2.gz OCLUXHQNQJOLGH-UHFFFAOYSA-N 0 0 323.396 4.038 20 10 DICDRN Cc1cc(C(=O)N2CCC[C@@H]3C[C@@H]32)c(C)n1-c1ccccc1C ZINC001469697260 1062607874 /nfs/dbraw/zinc/60/78/74/1062607874.db2.gz BLNYRISKUMIHKM-APWZRJJASA-N 0 0 308.425 4.027 20 10 DICDRN Cc1ccc(O)c(CNC(=O)Nc2c(C)cc(Cl)cc2C)c1 ZINC001476361772 1062640525 /nfs/dbraw/zinc/64/05/25/1062640525.db2.gz ZMHZHVRNDGSRSM-UHFFFAOYSA-N 0 0 318.804 4.293 20 10 DICDRN C/C(=C\c1ccccc1Cl)C(=O)NCc1cc(C)ccc1O ZINC001470255701 1062732014 /nfs/dbraw/zinc/73/20/14/1062732014.db2.gz ZSFJKZPBUSXJOS-JLHYYAGUSA-N 0 0 315.800 4.074 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)NCC1=CCCCC1 ZINC001470361334 1062764077 /nfs/dbraw/zinc/76/40/77/1062764077.db2.gz DVEMWBNMSWBFDL-UHFFFAOYSA-N 0 0 316.445 4.204 20 10 DICDRN C[C@@H](NC(=O)N[C@@H](C)c1ccc(Cl)cc1)c1ccccc1O ZINC001470431762 1062779336 /nfs/dbraw/zinc/77/93/36/1062779336.db2.gz FHKCYXCOFIBVMM-NWDGAFQWSA-N 0 0 318.804 4.167 20 10 DICDRN Cc1cc(C(=O)NCC2CC(C)C2)c(C)n1-c1ccccc1C ZINC001470440612 1062781162 /nfs/dbraw/zinc/78/11/62/1062781162.db2.gz SJALVNWMLIUVLM-UHFFFAOYSA-N 0 0 310.441 4.178 20 10 DICDRN Cc1ncsc1/C=C/C(=O)N1CC[C@H](C)c2cccc(C)c21 ZINC001460354230 1062804138 /nfs/dbraw/zinc/80/41/38/1062804138.db2.gz NMYVZRCLXASJGX-GUOLPTJISA-N 0 0 312.438 4.314 20 10 DICDRN CC(C)C[C@H](NC(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC001477341492 1062852634 /nfs/dbraw/zinc/85/26/34/1062852634.db2.gz RNLZPUAWPWLBFS-SFHVURJKSA-N 0 0 324.424 4.205 20 10 DICDRN CCC[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC001477502023 1062894428 /nfs/dbraw/zinc/89/44/28/1062894428.db2.gz UPHLZEUMVOUZMQ-WMLDXEAASA-N 0 0 312.413 4.294 20 10 DICDRN C[C@@H](NC(=O)C(C)(C)c1cccc(Cl)c1)c1ccccc1O ZINC001471195145 1062937940 /nfs/dbraw/zinc/93/79/40/1062937940.db2.gz DKAFNVKYJICPHP-GFCCVEGCSA-N 0 0 317.816 4.201 20 10 DICDRN CC[C@@H](C)[C@H](C(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC001471194419 1062938386 /nfs/dbraw/zinc/93/83/86/1062938386.db2.gz KETRKGKHWDLQED-VCBZYWHSSA-N 0 0 311.425 4.399 20 10 DICDRN C[C@H](NC(=O)c1cc2c(cccc2C2CC2)[nH]1)c1ccccc1O ZINC001471194623 1062939117 /nfs/dbraw/zinc/93/91/17/1062939117.db2.gz MUXUMSBOWVKLET-LBPRGKRZSA-N 0 0 320.392 4.242 20 10 DICDRN C[C@@H](NC(=O)c1ccc(C2=CCCC2)cc1)c1ccccc1O ZINC001471195716 1062940280 /nfs/dbraw/zinc/94/02/80/1062940280.db2.gz MPDAOMPMGBCYFE-CQSZACIVSA-N 0 0 307.393 4.451 20 10 DICDRN C/C(=C/c1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccccc1O ZINC001471196128 1062941439 /nfs/dbraw/zinc/94/14/39/1062941439.db2.gz VKILRCCAHBAMTL-YLGBQOPLSA-N 0 0 315.800 4.326 20 10 DICDRN CCOc1ccc(N(C[C@@H](CC(C)C)OC)CC2CC2)cc1 ZINC001460631707 1062950824 /nfs/dbraw/zinc/95/08/24/1062950824.db2.gz RTWCWARUFXWPEL-LJQANCHMSA-N 0 0 305.462 4.363 20 10 DICDRN C[C@H](CCC(C)(C)C)NC(=O)NCc1cc(Cl)ccc1O ZINC001477950211 1063027772 /nfs/dbraw/zinc/02/77/72/1063027772.db2.gz SDVCBNVHTSUXQF-LLVKDONJSA-N 0 0 312.841 4.060 20 10 DICDRN C(=C/c1ccncc1)\c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256951240 1063058051 /nfs/dbraw/zinc/05/80/51/1063058051.db2.gz DAPUULPVAZAMRZ-FPYGCLRLSA-N 0 0 314.348 4.093 20 10 DICDRN C[C@H](c1nnc(-c2ccc(-n3cccc3)cc2)o1)c1cccnc1 ZINC001256957090 1063059093 /nfs/dbraw/zinc/05/90/93/1063059093.db2.gz GKZQTAHUBPEHCR-AWEZNQCLSA-N 0 0 316.364 4.074 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)C1(C)CC1 ZINC001472219171 1063059672 /nfs/dbraw/zinc/05/96/72/1063059672.db2.gz JBMVYONMLBWZOY-CYBMUJFWSA-N 0 0 302.443 4.074 20 10 DICDRN FC(F)(F)[C@H]1C[C@H]1c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256966039 1063060961 /nfs/dbraw/zinc/06/09/61/1063060961.db2.gz REOUQNUWJMBOKI-OLZOCXBDSA-N 0 0 319.286 4.193 20 10 DICDRN FC(F)(F)[C@@H]1C[C@H]1c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256966038 1063061646 /nfs/dbraw/zinc/06/16/46/1063061646.db2.gz REOUQNUWJMBOKI-CHWSQXEVSA-N 0 0 319.286 4.193 20 10 DICDRN CO[C@H]1CCC[C@@H](c2nnc(-c3ccc(-n4cccc4)cc3)o2)C1 ZINC001256966031 1063062634 /nfs/dbraw/zinc/06/26/34/1063062634.db2.gz QURZRFILXLWYEL-WBVHZDCISA-N 0 0 323.396 4.200 20 10 DICDRN CC(C)(c1nnc(-c2ccc(-n3cccc3)cc2)o1)C(F)(F)F ZINC001256960751 1063062881 /nfs/dbraw/zinc/06/28/81/1063062881.db2.gz DOTQDSAHPHCZEY-UHFFFAOYSA-N 0 0 321.302 4.367 20 10 DICDRN Cc1ccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)c(C)n1 ZINC001256978911 1063068158 /nfs/dbraw/zinc/06/81/58/1063068158.db2.gz XDXXYPUSLBJIJF-UHFFFAOYSA-N 0 0 316.364 4.206 20 10 DICDRN Clc1cccnc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256978474 1063068550 /nfs/dbraw/zinc/06/85/50/1063068550.db2.gz LGWUTPKZXJVNNR-UHFFFAOYSA-N 0 0 322.755 4.243 20 10 DICDRN Cc1cccc(O)c1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256992632 1063072665 /nfs/dbraw/zinc/07/26/65/1063072665.db2.gz ZMHHYIMAVQRQHZ-UHFFFAOYSA-N 0 0 317.348 4.208 20 10 DICDRN CCOC(=O)c1cnc(S[C@H](C)c2ccc(F)cc2)s1 ZINC001472675547 1063142435 /nfs/dbraw/zinc/14/24/35/1063142435.db2.gz XKBMVJZJNXKUEA-SECBINFHSA-N 0 0 311.403 4.312 20 10 DICDRN COc1cccc(CNc2nc3c(ccc(C)c3C)s2)c1O ZINC001472685140 1063150732 /nfs/dbraw/zinc/15/07/32/1063150732.db2.gz VFVRBOHWMSSEMU-UHFFFAOYSA-N 0 0 314.410 4.239 20 10 DICDRN Cc1cc(CC(=O)N2C[C@H](C)[C@@H](C)[C@@H]2C)c(C)n1-c1ccccc1 ZINC001461022002 1063195022 /nfs/dbraw/zinc/19/50/22/1063195022.db2.gz KCYUUTNDAQCMNB-UAGQMJEPSA-N 0 0 324.468 4.140 20 10 DICDRN CC(C)(C)c1ccc(CC[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC001461039243 1063207427 /nfs/dbraw/zinc/20/74/27/1063207427.db2.gz KGHQBMGWRCUFPD-UHFFFAOYSA-N 0 0 319.395 4.300 20 10 DICDRN CCCC(CCC)[NH2+]Cc1cc(Br)ccc1O ZINC001257333295 1063214415 /nfs/dbraw/zinc/21/44/15/1063214415.db2.gz NCZDPNVMAOSJIB-UHFFFAOYSA-N 0 0 300.240 4.213 20 10 DICDRN CC(C)Oc1ccccc1[C@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001461047434 1063216259 /nfs/dbraw/zinc/21/62/59/1063216259.db2.gz WSZXAIPLZKQPNX-LBPRGKRZSA-N 0 0 321.367 4.308 20 10 DICDRN CC(C)(C)Oc1ccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC001461104479 1063257758 /nfs/dbraw/zinc/25/77/58/1063257758.db2.gz GYSJJXYYRLDDIM-UHFFFAOYSA-N 0 0 321.367 4.138 20 10 DICDRN CN(Cc1ccccc1O)C(=O)NCC1(C)CCC(C)(C)CC1 ZINC001478831053 1063306129 /nfs/dbraw/zinc/30/61/29/1063306129.db2.gz ATSPTHHXRNBMFI-UHFFFAOYSA-N 0 0 318.461 4.140 20 10 DICDRN Cn1c(-c2ccccc2)cnc1SC[C@H]1CCC2(CCC2)O1 ZINC001472952670 1063328080 /nfs/dbraw/zinc/32/80/80/1063328080.db2.gz JIYDASSWHVMPGO-OAHLLOKOSA-N 0 0 314.454 4.281 20 10 DICDRN COC(=O)c1cnc(SCc2ccc(C(F)F)cc2)s1 ZINC001473035028 1063367906 /nfs/dbraw/zinc/36/79/06/1063367906.db2.gz FBACROKFJOOOGE-UHFFFAOYSA-N 0 0 315.366 4.160 20 10 DICDRN C[C@@H](NC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1)c1ccccc1O ZINC001479115078 1063382322 /nfs/dbraw/zinc/38/23/22/1063382322.db2.gz UAOAOERNAHJHMB-ZTFGCOKTSA-N 0 0 324.424 4.089 20 10 DICDRN Clc1cnc(SCc2nc(-c3ccsc3)no2)s1 ZINC001473067160 1063383624 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Cc1cc(Br)c([O-])c(C[NH2+]C2CCC3(CC3)CC2)c1 ZINC001461486100 1063531482 /nfs/dbraw/zinc/53/14/82/1063531482.db2.gz CMFYPUPOMGMGRJ-UHFFFAOYSA-N 0 0 324.262 4.276 20 10 DICDRN CC(C)(C[NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccccc1 ZINC001461622783 1063618618 /nfs/dbraw/zinc/61/86/18/1063618618.db2.gz SBPWMOYTZBAYAW-UHFFFAOYSA-N 0 0 307.796 4.252 20 10 DICDRN CN(C)c1ccc(/C=C/c2nnc(Cc3cccc(F)c3)o2)cc1 ZINC001258513570 1063680973 /nfs/dbraw/zinc/68/09/73/1063680973.db2.gz DAYGXMZBLJRROL-DHZHZOJOSA-N 0 0 323.371 4.036 20 10 DICDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC001461873780 1063763020 /nfs/dbraw/zinc/76/30/20/1063763020.db2.gz QHRLUAQQKLBDDP-OAHLLOKOSA-N 0 0 307.340 4.381 20 10 DICDRN CC[C@@H](C)C[N@H+](CC)Cc1cc(C)cc(Br)c1[O-] ZINC001461890825 1063779892 /nfs/dbraw/zinc/77/98/92/1063779892.db2.gz WQQOJDQWRRPMOT-LLVKDONJSA-N 0 0 314.267 4.331 20 10 DICDRN C[C@H]1c2cc(F)cc(F)c2CCN1Cc1ccc(Cl)cc1O ZINC001461928117 1063814908 /nfs/dbraw/zinc/81/49/08/1063814908.db2.gz 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/nfs/dbraw/zinc/19/08/27/1064190827.db2.gz IKBKCSBLAFJITM-MRXNPFEDSA-N 0 0 316.489 4.450 20 10 DICDRN Cc1cccc(NC(=S)NNc2cccc3cnccc32)c1C ZINC000728447844 1064415806 /nfs/dbraw/zinc/41/58/06/1064415806.db2.gz BTTSBDMRSCRKJV-UHFFFAOYSA-N 0 0 322.437 4.165 20 10 DICDRN Cc1cccc(C)c1NC(=S)NNc1cccc2cnccc21 ZINC000728448452 1064416005 /nfs/dbraw/zinc/41/60/05/1064416005.db2.gz UMNLVGPFSRRTGO-UHFFFAOYSA-N 0 0 322.437 4.165 20 10 DICDRN CCN(CC)c1ccc(CNc2ccsc2[N+](=O)[O-])cc1F ZINC000731352485 1064450388 /nfs/dbraw/zinc/45/03/88/1064450388.db2.gz ZWOKCZCCFRYUIU-UHFFFAOYSA-N 0 0 323.393 4.254 20 10 DICDRN Cc1cc(CCNC(=O)[C@H]2CC[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC001287468276 1064452874 /nfs/dbraw/zinc/45/28/74/1064452874.db2.gz DYPNWLCSZGQDIL-BEFAXECRSA-N 0 0 324.468 4.189 20 10 DICDRN Cc1cc(CNC(=O)[C@@H](C)C(C)C)c(C)n1-c1cccc(C)c1 ZINC001287660885 1064473988 /nfs/dbraw/zinc/47/39/88/1064473988.db2.gz PYCOFPDGIVQGSD-INIZCTEOSA-N 0 0 312.457 4.311 20 10 DICDRN Cc1ccc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)s1 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CCN(CC)c1ccc(CNC(=O)C2=CCC(C)(C)CC2)cc1 ZINC001291711738 1064742514 /nfs/dbraw/zinc/74/25/14/1064742514.db2.gz VKJNJITUKUNGJR-UHFFFAOYSA-N 0 0 314.473 4.286 20 10 DICDRN CCCC[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)C(C)C ZINC001292207102 1064764024 /nfs/dbraw/zinc/76/40/24/1064764024.db2.gz RAJXCGOQKDWICK-GOSISDBHSA-N 0 0 316.489 4.148 20 10 DICDRN Cc1cc(C(=O)N2C[C@H](C)C[C@@H]2C)c(C)n1-c1cccc(C)c1 ZINC001293892367 1064835787 /nfs/dbraw/zinc/83/57/87/1064835787.db2.gz UHNGFCXXYMJZKD-CABCVRRESA-N 0 0 310.441 4.273 20 10 DICDRN CCC1(CNC(=O)c2sccc2-n2c(C)ccc2C)CC1 ZINC001294274358 1064859792 /nfs/dbraw/zinc/85/97/92/1064859792.db2.gz OFJMXEWZCQMBOH-UHFFFAOYSA-N 0 0 302.443 4.076 20 10 DICDRN Cc1cc(C(=O)Nc2ccc(C)nc2)c(C)n1-c1ccccc1C ZINC001294728603 1064882112 /nfs/dbraw/zinc/88/21/12/1064882112.db2.gz JOJJOMIQEWIFQQ-UHFFFAOYSA-N 0 0 319.408 4.358 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](C)[C@@H](C)C2)cc1 ZINC001295080877 1064900052 /nfs/dbraw/zinc/90/00/52/1064900052.db2.gz 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Cn1c(-c2ccccc2)cnc1SCCCc1cccnc1 ZINC001307271839 1065321385 /nfs/dbraw/zinc/32/13/85/1065321385.db2.gz AYJJUKVJKTWXPM-UHFFFAOYSA-N 0 0 309.438 4.207 20 10 DICDRN CC(C)n1ccnc1C(=O)CSc1ncc(C(C)(C)C)s1 ZINC001307316008 1065337047 /nfs/dbraw/zinc/33/70/47/1065337047.db2.gz LSYQKSWZVHFCHO-UHFFFAOYSA-N 0 0 323.487 4.193 20 10 DICDRN CCCC[C@@H](Sc1ncc(C(C)(C)C)s1)C(=O)OC ZINC001307315994 1065337722 /nfs/dbraw/zinc/33/77/22/1065337722.db2.gz LNAUEPNITJJPLB-SNVBAGLBSA-N 0 0 301.477 4.265 20 10 DICDRN COC(=O)c1cnc(SCc2cc(Cl)ccc2F)s1 ZINC001307348636 1065350815 /nfs/dbraw/zinc/35/08/15/1065350815.db2.gz YJJUKHHUJSKLBD-UHFFFAOYSA-N 0 0 317.794 4.015 20 10 DICDRN COc1ncc(CSc2ncc(Cl)s2)cc1Cl ZINC001307377537 1065361332 /nfs/dbraw/zinc/36/13/32/1065361332.db2.gz QATANTGROTUJET-UHFFFAOYSA-N 0 0 307.227 4.146 20 10 DICDRN CC[C@H](CN(CCc1ccccc1)c1ccc(OC)cc1)OC ZINC001307556314 1065479802 /nfs/dbraw/zinc/47/98/02/1065479802.db2.gz XHDQHUGZHKUKOB-LJQANCHMSA-N 0 0 313.441 4.169 20 10 DICDRN COc1ccc(N(C)Cc2nc3cc(C)ccc3s2)cc1F ZINC001307555407 1065479957 /nfs/dbraw/zinc/47/99/57/1065479957.db2.gz JMTPOPMZZAEBJH-UHFFFAOYSA-N 0 0 316.401 4.389 20 10 DICDRN COc1ccc(N(C)C[C@H](OC)c2ccccc2)cc1Cl ZINC001307555065 1065480676 /nfs/dbraw/zinc/48/06/76/1065480676.db2.gz DYHGFUNHHCIXFP-KRWDZBQOSA-N 0 0 305.805 4.173 20 10 DICDRN COc1ccc(N(C)CCc2c(F)cccc2F)cc1Cl ZINC001307555007 1065480721 /nfs/dbraw/zinc/48/07/21/1065480721.db2.gz COPDTLYMGLYDRY-UHFFFAOYSA-N 0 0 311.759 4.306 20 10 DICDRN COc1ccc(N(CCc2ccns2)Cc2ccccc2)cc1 ZINC001307568417 1065488396 /nfs/dbraw/zinc/48/83/96/1065488396.db2.gz CROGJHCNZAICJH-UHFFFAOYSA-N 0 0 324.449 4.401 20 10 DICDRN COc1ccc2c(c1)CCCCN2C[C@H](OC)C1CCCCC1 ZINC001307591204 1065502250 /nfs/dbraw/zinc/50/22/50/1065502250.db2.gz HDHNLEHGDCMPHD-FQEVSTJZSA-N 0 0 317.473 4.433 20 10 DICDRN CC(C)Oc1ccc(N(C)C[C@@H]2CCC3(CCCC3)O2)cc1 ZINC001307679193 1065559694 /nfs/dbraw/zinc/55/96/94/1065559694.db2.gz TTYUUIPHHINTMM-SFHVURJKSA-N 0 0 303.446 4.402 20 10 DICDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1nc(C)c(C)o1 ZINC001307862961 1065658269 /nfs/dbraw/zinc/65/82/69/1065658269.db2.gz ZNACUTANGVLHLX-MRXNPFEDSA-N 0 0 314.429 4.135 20 10 DICDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1nc(C)c(C)o1 ZINC001307862958 1065658701 /nfs/dbraw/zinc/65/87/01/1065658701.db2.gz ZNACUTANGVLHLX-INIZCTEOSA-N 0 0 314.429 4.135 20 10 DICDRN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C3CCC3)C2)c1[O-] ZINC001307947412 1065695094 /nfs/dbraw/zinc/69/50/94/1065695094.db2.gz QTIDDDXRROBCRR-CQSZACIVSA-N 0 0 321.848 4.260 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC1(c2ccccc2)CCC1 ZINC001308192486 1065802017 /nfs/dbraw/zinc/80/20/17/1065802017.db2.gz KLKZAWJMZRWWKR-UHFFFAOYSA-N 0 0 319.807 4.396 20 10 DICDRN Oc1c(F)cc(F)cc1CNc1ccc(-c2ccccc2)cn1 ZINC001308217855 1065826166 /nfs/dbraw/zinc/82/61/66/1065826166.db2.gz MZRLBDQNDYYOTB-UHFFFAOYSA-N 0 0 312.319 4.345 20 10 DICDRN [O-]c1c(F)cc(F)cc1C[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC001308238271 1065845756 /nfs/dbraw/zinc/84/57/56/1065845756.db2.gz UFCUESNAVDWPDN-UHFFFAOYSA-N 0 0 321.342 4.369 20 10 DICDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC001308249993 1065854892 /nfs/dbraw/zinc/85/48/92/1065854892.db2.gz MWXCTURQUCCONY-KRWDZBQOSA-N 0 0 321.342 4.441 20 10 DICDRN CCCN(CCC)c1ccc(CNCc2ncc(C)s2)cc1 ZINC001308274219 1065872127 /nfs/dbraw/zinc/87/21/27/1065872127.db2.gz OSNNUFGGGWADFF-UHFFFAOYSA-N 0 0 317.502 4.368 20 10 DICDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001308302262 1065897037 /nfs/dbraw/zinc/89/70/37/1065897037.db2.gz XXUZOUPGXKYQET-MWLCHTKSSA-N 0 0 323.305 4.129 20 10 DICDRN CSc1ccc(NCc2ccc(N3CCCCC3)cc2)nc1 ZINC001308313418 1065905587 /nfs/dbraw/zinc/90/55/87/1065905587.db2.gz CXIYUXOAQYKILT-UHFFFAOYSA-N 0 0 313.470 4.406 20 10 DICDRN COc1cc(NCc2cc(Cl)cc(F)c2O)c(C)cc1C ZINC001308384695 1065955726 /nfs/dbraw/zinc/95/57/26/1065955726.db2.gz UTDGCSDGJAONMO-UHFFFAOYSA-N 0 0 309.768 4.422 20 10 DICDRN C[C@@](Cc1ccccc1)([NH2+]Cc1cc(F)cc(F)c1[O-])C1CC1 ZINC001308438780 1065987686 /nfs/dbraw/zinc/98/76/86/1065987686.db2.gz HCVQLUIBLTVGGE-IBGZPJMESA-N 0 0 317.379 4.171 20 10 DICDRN Cc1cc[nH+]c(NCc2cc(Cl)cc(F)c2O)c1C1CC1 ZINC001308458170 1066001727 /nfs/dbraw/zinc/00/17/27/1066001727.db2.gz CFZIMAJEQNCVLV-UHFFFAOYSA-N 0 0 306.768 4.378 20 10 DICDRN CC(C)[C@@](C)(Cc1ccccc1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001308491191 1066024119 /nfs/dbraw/zinc/02/41/19/1066024119.db2.gz KWIKFMDDGVUPSG-LJQANCHMSA-N 0 0 319.395 4.417 20 10 DICDRN F[C@H]1CCc2ccccc2[C@@H]1NCc1ccc2c(c1)CCCO2 ZINC001308500173 1066030740 /nfs/dbraw/zinc/03/07/40/1066030740.db2.gz MLVUDYGYRLSJEF-ICSRJNTNSA-N 0 0 311.400 4.127 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCCc2ccccc2C1 ZINC001308537741 1066055401 /nfs/dbraw/zinc/05/54/01/1066055401.db2.gz IUWLMAWDIZURIT-MRXNPFEDSA-N 0 0 319.807 4.222 20 10 DICDRN COC1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCCCCC1 ZINC001308542297 1066058386 /nfs/dbraw/zinc/05/83/86/1066058386.db2.gz DFKDFLPTBDFJTG-UHFFFAOYSA-N 0 0 315.816 4.014 20 10 DICDRN COC1(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CCCCCC1 ZINC001308544351 1066058943 /nfs/dbraw/zinc/05/89/43/1066058943.db2.gz QHORQDHGDHLPAG-UHFFFAOYSA-N 0 0 315.816 4.014 20 10 DICDRN C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001308563828 1066071892 /nfs/dbraw/zinc/07/18/92/1066071892.db2.gz CUAPVNYMOQRIQN-UKRRQHHQSA-N 0 0 317.379 4.124 20 10 DICDRN C[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2[O-])CC[C@@H]1c1ccccc1 ZINC001308564006 1066072959 /nfs/dbraw/zinc/07/29/59/1066072959.db2.gz CKHYIKJFBYVRQI-CJNGLKHVSA-N 0 0 317.379 4.296 20 10 DICDRN C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001308563827 1066073750 /nfs/dbraw/zinc/07/37/50/1066073750.db2.gz CUAPVNYMOQRIQN-HIFRSBDPSA-N 0 0 317.379 4.124 20 10 DICDRN CC(C)[C@H](c1ccccc1)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC001308567296 1066075230 /nfs/dbraw/zinc/07/52/30/1066075230.db2.gz JTIOOXSPRKOCLU-QGZVFWFLSA-N 0 0 305.368 4.500 20 10 DICDRN Cc1ccc(C[C@@H](C)[N@H+](C)Cc2ccc(F)c(F)c2[O-])cc1 ZINC001308572873 1066084315 /nfs/dbraw/zinc/08/43/15/1066084315.db2.gz FECFRQVAWISRLK-CYBMUJFWSA-N 0 0 305.368 4.042 20 10 DICDRN COc1ccc(N(Cc2ccccc2)C[C@@H]2CCC=CO2)cc1 ZINC001308633407 1066128697 /nfs/dbraw/zinc/12/86/97/1066128697.db2.gz BHKAJTINAHAJTI-FQEVSTJZSA-N 0 0 309.409 4.395 20 10 DICDRN [O-]c1c(F)cc(F)cc1C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC001308655145 1066139863 /nfs/dbraw/zinc/13/98/63/1066139863.db2.gz QUBKIJXTUDRNNZ-UHFFFAOYSA-N 0 0 319.326 4.099 20 10 DICDRN Cc1cc(N(C)C)ccc1CN1CC(C)(C)Oc2ccccc21 ZINC001308666692 1066145841 /nfs/dbraw/zinc/14/58/41/1066145841.db2.gz WXIJYFWJPXDSNN-UHFFFAOYSA-N 0 0 310.441 4.239 20 10 DICDRN Cc1ccc2c(c1)N(C/C=C\c1ccc(N(C)C)cc1)C[C@H](C)O2 ZINC001308670035 1066147028 /nfs/dbraw/zinc/14/70/28/1066147028.db2.gz YKJGEWGGQRILSA-OSJSJHBBSA-N 0 0 322.452 4.362 20 10 DICDRN COc1ccc2c(c1)CCCN2Cc1cnc2c(F)cccc2c1 ZINC001308674606 1066149616 /nfs/dbraw/zinc/14/96/16/1066149616.db2.gz KMKRNPIKGNAQAB-UHFFFAOYSA-N 0 0 322.383 4.335 20 10 DICDRN CC(C)Oc1ccc(N(C)Cc2cc(F)c(F)cc2O)cc1 ZINC001308688662 1066181283 /nfs/dbraw/zinc/18/12/83/1066181283.db2.gz PIUMUTNVWSAVOZ-UHFFFAOYSA-N 0 0 307.340 4.094 20 10 DICDRN Cc1ncoc1CN(C)c1ccc(OCc2ccccc2)cc1 ZINC001308693828 1066183572 /nfs/dbraw/zinc/18/35/72/1066183572.db2.gz FTBZTMMAIXISCI-UHFFFAOYSA-N 0 0 308.381 4.198 20 10 DICDRN CC(C)c1ccc(O)c(CN2C[C@@H](C)Oc3c(F)cccc32)c1 ZINC001308695721 1066184653 /nfs/dbraw/zinc/18/46/53/1066184653.db2.gz HPXJVQXHOAGDLD-CYBMUJFWSA-N 0 0 315.388 4.442 20 10 DICDRN Oc1c(F)cc(Cl)cc1CN1CC2(CC2)c2ccccc21 ZINC001308700178 1066187661 /nfs/dbraw/zinc/18/76/61/1066187661.db2.gz LYZVJAGKEOQKEZ-UHFFFAOYSA-N 0 0 303.764 4.237 20 10 DICDRN CC[C@H]1CN(Cc2cc(Cl)c(F)cc2O)c2ccccc2O1 ZINC001308706441 1066191118 /nfs/dbraw/zinc/19/11/18/1066191118.db2.gz NMVRSWQYTFURQM-LBPRGKRZSA-N 0 0 321.779 4.362 20 10 DICDRN CCc1c(NCc2ccc(C)cc2O)cnn1C(CC)CC ZINC001308733030 1066207133 /nfs/dbraw/zinc/20/71/33/1066207133.db2.gz WGABXKNRNPDTLF-UHFFFAOYSA-N 0 0 301.434 4.433 20 10 DICDRN CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC001308742817 1066215815 /nfs/dbraw/zinc/21/58/15/1066215815.db2.gz XTVNATAWANWCEH-DZGCQCFKSA-N 0 0 312.251 4.213 20 10 DICDRN [O-]c1cc(F)c(F)cc1C[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC001308761871 1066235813 /nfs/dbraw/zinc/23/58/13/1066235813.db2.gz FMUWZNUUURVDPA-UHFFFAOYSA-N 0 0 323.770 4.493 20 10 DICDRN Cc1ccc2c(c1)C[N@@H+](Cc1cc(F)c(F)cc1[O-])C(C)(C)C2 ZINC001308782638 1066255267 /nfs/dbraw/zinc/25/52/67/1066255267.db2.gz NZMZAMXKNLXPSP-UHFFFAOYSA-N 0 0 317.379 4.316 20 10 DICDRN COc1ccc2c(c1)CCCCN2Cc1cccn1C(F)F ZINC001308795943 1066270413 /nfs/dbraw/zinc/27/04/13/1066270413.db2.gz CDLFUAJHISMBAI-UHFFFAOYSA-N 0 0 306.356 4.235 20 10 DICDRN CC1(C)[C@H](c2ccccc2)CC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001308822922 1066297671 /nfs/dbraw/zinc/29/76/71/1066297671.db2.gz JCHKUUIPZBKBIU-HNNXBMFYSA-N 0 0 317.379 4.439 20 10 DICDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1ncccc1F ZINC001308828792 1066304995 /nfs/dbraw/zinc/30/49/95/1066304995.db2.gz XSHAIZWCNHYNGB-OAHLLOKOSA-N 0 0 314.404 4.064 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH+]1CCC(c2ccco2)CC1 ZINC001308855633 1066335433 /nfs/dbraw/zinc/33/54/33/1066335433.db2.gz QUOBHJJYJGYSNC-UHFFFAOYSA-N 0 0 309.768 4.157 20 10 DICDRN CC(C)c1ccc(O)c(CNc2ccc(N(C)C)c(F)c2)c1 ZINC001308910617 1066388424 /nfs/dbraw/zinc/38/84/24/1066388424.db2.gz NSGNOOCQJUZHBU-UHFFFAOYSA-N 0 0 302.393 4.333 20 10 DICDRN CC(C)C[N@H+](Cc1ccccn1)Cc1cc(Cl)cc(F)c1[O-] ZINC001308949204 1066415264 /nfs/dbraw/zinc/41/52/64/1066415264.db2.gz PWGZXVOQHSQFPQ-UHFFFAOYSA-N 0 0 322.811 4.238 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cc2c(ccnc2Cl)o1 ZINC001308975790 1066429282 /nfs/dbraw/zinc/42/92/82/1066429282.db2.gz HOINMLJBSAYVGS-UHFFFAOYSA-N 0 0 323.179 4.130 20 10 DICDRN C[C@H](CCCC(F)(F)F)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756079738 1066465531 /nfs/dbraw/zinc/46/55/31/1066465531.db2.gz QZXISVSTJHYQGI-ZJUUUORDSA-N 0 0 320.311 4.072 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(C)cc1 ZINC000756350549 1066468028 /nfs/dbraw/zinc/46/80/28/1066468028.db2.gz BMXCFXXOIJFUKY-GUYCJALGSA-N 0 0 314.385 4.411 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756343523 1066468397 /nfs/dbraw/zinc/46/83/97/1066468397.db2.gz OWNCZRNREYFAAS-WDEREUQCSA-N 0 0 320.776 4.366 20 10 DICDRN Cc1cc([C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(C)s1 ZINC000756379297 1066468883 /nfs/dbraw/zinc/46/88/83/1066468883.db2.gz MUHRLYNVNKFHIS-QWRGUYRKSA-N 0 0 320.414 4.391 20 10 DICDRN C[C@@H](NC(=O)Nc1ccc(-c2ccc[nH]2)cc1)c1ccccc1O ZINC001310489823 1066529078 /nfs/dbraw/zinc/52/90/78/1066529078.db2.gz LTMVJJPONRYQTL-CYBMUJFWSA-N 0 0 321.380 4.270 20 10 DICDRN CC[C@H]1CCCC[C@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC001312786803 1066857145 /nfs/dbraw/zinc/85/71/45/1066857145.db2.gz BWYICIXYDYKFNU-STQMWFEESA-N 0 0 324.852 4.061 20 10 DICDRN C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273298300 130103573 /nfs/dbraw/zinc/10/35/73/130103573.db2.gz APEBNSRFRWOCFN-XIKOKIGWSA-N 0 0 312.369 4.102 20 10 DICDRN Cc1ccc([C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273385073 130114639 /nfs/dbraw/zinc/11/46/39/130114639.db2.gz JIWCHIXQQICJNJ-QWHCGFSZSA-N 0 0 300.358 4.021 20 10 DICDRN Cc1nc(C)c(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)s1 ZINC000273580684 130140586 /nfs/dbraw/zinc/14/05/86/130140586.db2.gz MQFMWECRYAQBGV-NSHDSACASA-N 0 0 316.470 4.195 20 10 DICDRN COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])cc1 ZINC000276003470 130424932 /nfs/dbraw/zinc/42/49/32/130424932.db2.gz ARAKTHWRSARUGD-MNOVXSKESA-N 0 0 307.340 4.091 20 10 DICDRN CCCC[C@H]([NH2+]Cc1ccc(N(CCC)CCC)cc1)C(=O)[O-] ZINC000277169276 130586480 /nfs/dbraw/zinc/58/64/80/130586480.db2.gz DPVGCKKDHAIGGI-SFHVURJKSA-N 0 0 320.477 4.046 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)c1cccc(OC)c1)c1ccc(F)cc1[O-] ZINC000286043883 131216977 /nfs/dbraw/zinc/21/69/77/131216977.db2.gz KRGWSCWNXIYOAU-YVEFUNNKSA-N 0 0 303.377 4.342 20 10 DICDRN CC[C@@H]([NH2+][C@@H](CCOC)c1ccc(C)o1)c1ccc(F)cc1[O-] ZINC000286329669 131230845 /nfs/dbraw/zinc/23/08/45/131230845.db2.gz YJDDGDNYHXNYCJ-CVEARBPZSA-N 0 0 321.392 4.251 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1cccc(Cl)c1[O-] ZINC000286941827 131256741 /nfs/dbraw/zinc/25/67/41/131256741.db2.gz MCWZQSNQQNLGOC-CQSZACIVSA-N 0 0 319.788 4.015 20 10 DICDRN CC[C@H](Nc1cc(CCOC)ccn1)c1cccc(Cl)c1O ZINC000287144959 131265722 /nfs/dbraw/zinc/26/57/22/131265722.db2.gz SLUQUDQXFLPETG-HNNXBMFYSA-N 0 0 320.820 4.193 20 10 DICDRN CC[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287281439 131273238 /nfs/dbraw/zinc/27/32/38/131273238.db2.gz BLHPLJJGZCILGE-PUYPPJJSSA-N 0 0 318.244 4.307 20 10 DICDRN C[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000287700882 131295827 /nfs/dbraw/zinc/29/58/27/131295827.db2.gz XDXTUCVUWFOFQY-GARJFASQSA-N 0 0 318.244 4.022 20 10 DICDRN CC[C@H]([NH2+][C@H](C)[C@@H]1CCOC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287884621 131304470 /nfs/dbraw/zinc/30/44/70/131304470.db2.gz YPFLSHFWZVSFLU-RULNRJAQSA-N 0 0 318.244 4.165 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)c1nnc(C(C)C)[nH]1)c1cccc(Cl)c1[O-] ZINC000287900981 131305323 /nfs/dbraw/zinc/30/53/23/131305323.db2.gz ZQFHNLQNLGAECD-GWCFXTLKSA-N 0 0 322.840 4.089 20 10 DICDRN CCN(CC)c1ccc(CNc2cccc(-c3nnco3)c2)cc1 ZINC000120668025 132150206 /nfs/dbraw/zinc/15/02/06/132150206.db2.gz HVYJPQZDCUTJEO-UHFFFAOYSA-N 0 0 322.412 4.195 20 10 DICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccs1 ZINC000052396824 134765019 /nfs/dbraw/zinc/76/50/19/134765019.db2.gz YQVPEOGPCQGTLK-UHFFFAOYSA-N 0 0 314.454 4.011 20 10 DICDRN COc1cccc(CNc2cccc3c2OC(C)(C)CC3)c1O ZINC000527814433 331596959 /nfs/dbraw/zinc/59/69/59/331596959.db2.gz VCLQQRABDFMCIX-UHFFFAOYSA-N 0 0 313.397 4.117 20 10 DICDRN CCOc1cc(N[C@@H](C)c2ccc(F)cc2O)ccc1OC ZINC000170789388 332636379 /nfs/dbraw/zinc/63/63/79/332636379.db2.gz NJNJCHGDRYWFPZ-NSHDSACASA-N 0 0 305.349 4.112 20 10 DICDRN COc1ccc(O)c([C@H](C)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000301063293 332969695 /nfs/dbraw/zinc/96/96/95/332969695.db2.gz CRQAJYDRSCZALU-VIFPVBQESA-N 0 0 322.748 4.136 20 10 DICDRN C[C@H]([NH2+][C@H]1CCOc2c(Cl)cccc21)c1ccc(F)cc1[O-] ZINC000185185118 333205131 /nfs/dbraw/zinc/20/51/31/333205131.db2.gz PPFQWOFDHSLVDL-BONVTDFDSA-N 0 0 321.779 4.359 20 10 DICDRN Cc1cc(C)c([C@H](C)Nc2cccc(C(=O)NC3CC3)c2)c(O)c1 ZINC000285400481 334147413 /nfs/dbraw/zinc/14/74/13/334147413.db2.gz XCUFZPHKCYSLQC-AWEZNQCLSA-N 0 0 324.424 4.074 20 10 DICDRN COc1ccc2[nH]cc(C3=CCN(c4cccc(C)n4)CC3)c2c1 ZINC000127785071 334883906 /nfs/dbraw/zinc/88/39/06/334883906.db2.gz UZRSQSFZEUSUFW-UHFFFAOYSA-N 0 0 319.408 4.174 20 10 DICDRN Fc1ccc2c(C3=CCN(c4cccc(F)n4)CC3)c[nH]c2c1 ZINC000301224311 336295487 /nfs/dbraw/zinc/29/54/87/336295487.db2.gz COZGHFCOMFJHER-UHFFFAOYSA-N 0 0 311.335 4.135 20 10 DICDRN Cc1cc(N(C)C)ccc1CNc1cccc(C(F)(F)F)n1 ZINC000301278840 336298408 /nfs/dbraw/zinc/29/84/08/336298408.db2.gz JMCAPUVVNSQVKE-UHFFFAOYSA-N 0 0 309.335 4.087 20 10 DICDRN Oc1ccccc1CN(Cc1ccco1)c1nc2ccccc2o1 ZINC000301983012 336341320 /nfs/dbraw/zinc/34/13/20/336341320.db2.gz IFRWWFBDGRJWJJ-UHFFFAOYSA-N 0 0 320.348 4.333 20 10 DICDRN C[C@@H](Nc1nc(-c2ccccc2)ns1)c1ccc(N(C)C)cc1 ZINC000302366000 336357714 /nfs/dbraw/zinc/35/77/14/336357714.db2.gz GAIBZABNQRWOAZ-CYBMUJFWSA-N 0 0 324.453 4.444 20 10 DICDRN CC[C@H]([NH2+][C@H]1CCCc2nc(C)sc21)c1ccc(F)cc1[O-] ZINC000375888169 337022138 /nfs/dbraw/zinc/02/21/38/337022138.db2.gz KMWFJRWSFSISSB-ZFWWWQNUSA-N 0 0 320.433 4.415 20 10 DICDRN Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cccc(Cl)c2[O-])n1 ZINC000180278123 337175647 /nfs/dbraw/zinc/17/56/47/337175647.db2.gz ZOLDOAJTDLAMHY-INIZCTEOSA-N 0 0 302.805 4.086 20 10 DICDRN C[C@H](N[C@H](c1nccs1)c1ccccc1)c1ccccc1O ZINC000183471528 337191884 /nfs/dbraw/zinc/19/18/84/337191884.db2.gz TYVHETYFMGZWKE-GUYCJALGSA-N 0 0 310.422 4.289 20 10 DICDRN COc1ccccc1[C@H](N[C@H](C)c1ccccc1O)c1ccco1 ZINC000183621817 337193904 /nfs/dbraw/zinc/19/39/04/337193904.db2.gz PFSOMUXWGSLZSY-VLIAUNLRSA-N 0 0 323.392 4.434 20 10 DICDRN C[C@@H]([NH2+][C@H](c1ccccc1)c1ccccn1)c1ccc(F)cc1[O-] ZINC000359971328 337441085 /nfs/dbraw/zinc/44/10/85/337441085.db2.gz BKLKQECMPWFQAQ-JLTOFOAXSA-N 0 0 322.383 4.367 20 10 DICDRN CC(C)[C@H]1CN(Cc2c[nH]nc2-c2cccnc2)c2ccccc21 ZINC000447101640 338545427 /nfs/dbraw/zinc/54/54/27/338545427.db2.gz YCMQQPFZLYWGJR-GOSISDBHSA-N 0 0 318.424 4.232 20 10 DICDRN Cc1scc(C(=O)NCc2c(C)c3ccccc3n2C)c1C ZINC000471225735 339340370 /nfs/dbraw/zinc/34/03/70/339340370.db2.gz DWKHOBVAYBVYLW-UHFFFAOYSA-N 0 0 312.438 4.095 20 10 DICDRN Cc1c2ccccc2n(C)c1CNC(=O)C(C)(C)c1ccccc1 ZINC000471222601 339340405 /nfs/dbraw/zinc/34/04/05/339340405.db2.gz JGPXYHVQSDZBTR-UHFFFAOYSA-N 0 0 320.436 4.081 20 10 DICDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(C)cc1C ZINC000471224495 339340446 /nfs/dbraw/zinc/34/04/46/339340446.db2.gz ZQASJZBWJRYDEO-UHFFFAOYSA-N 0 0 306.409 4.034 20 10 DICDRN CCCN(CC(C)C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472294427 339369240 /nfs/dbraw/zinc/36/92/40/339369240.db2.gz MFYLRZCNDXIGCK-UHFFFAOYSA-N 0 0 315.461 4.064 20 10 DICDRN COCCn1c(C)c(C)c2cc(C(=O)Nc3ccccc3)ccc21 ZINC000482216747 339626332 /nfs/dbraw/zinc/62/63/32/339626332.db2.gz UJCHCULRYZNEBR-UHFFFAOYSA-N 0 0 322.408 4.157 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000529646135 340766391 /nfs/dbraw/zinc/76/63/91/340766391.db2.gz ZXKQXNNWLOQHAC-KRWDZBQOSA-N 0 0 320.795 4.211 20 10 DICDRN CC[C@H](Nc1cc(OC)c(OC)cc1C)c1ccccc1O ZINC000274808535 341645481 /nfs/dbraw/zinc/64/54/81/341645481.db2.gz XJURJVVXKCZDIR-AWEZNQCLSA-N 0 0 301.386 4.281 20 10 DICDRN CC(C)c1csc(CN[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000128574594 519855339 /nfs/dbraw/zinc/85/53/39/519855339.db2.gz KPNAQMTTWIINJJ-ZDUSSCGKSA-N 0 0 303.475 4.183 20 10 DICDRN CCN(C(=O)Cc1ccc(N)cc1)[C@H](C)c1cc2ccccc2o1 ZINC000237044574 519931455 /nfs/dbraw/zinc/93/14/55/519931455.db2.gz HWEJMZYJJDNQNC-CQSZACIVSA-N 0 0 322.408 4.167 20 10 DICDRN CCOCc1ccccc1C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000191192580 520213347 /nfs/dbraw/zinc/21/33/47/520213347.db2.gz PWVSOLRMYVAWMV-GFCCVEGCSA-N 0 0 321.367 4.058 20 10 DICDRN CCN(C)c1ccc([C@@H](C)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000181961364 520286425 /nfs/dbraw/zinc/28/64/25/520286425.db2.gz LBBBCUNEGQGNOT-CQSZACIVSA-N 0 0 311.429 4.274 20 10 DICDRN CCCCN(C(=O)Cc1ccc(N)cc1)[C@@H](C)c1ccccc1 ZINC000160179441 520343996 /nfs/dbraw/zinc/34/39/96/520343996.db2.gz UAVRMOHLLMXRBS-INIZCTEOSA-N 0 0 310.441 4.201 20 10 DICDRN CCC(=O)Nc1ccc(N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000192999882 521215434 /nfs/dbraw/zinc/21/54/34/521215434.db2.gz SCUKIYCGHUPZIU-CQSZACIVSA-N 0 0 311.429 4.274 20 10 DICDRN CCc1nc([C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000162313436 522454362 /nfs/dbraw/zinc/45/43/62/522454362.db2.gz UUSHQWFNDDLNAS-STQMWFEESA-N 0 0 303.475 4.183 20 10 DICDRN COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000158107660 524328141 /nfs/dbraw/zinc/32/81/41/524328141.db2.gz XOPBGRGXLVUTNB-SNVBAGLBSA-N 0 0 309.768 4.044 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])c1ccc(F)c(F)c1 ZINC000191180043 525607775 /nfs/dbraw/zinc/60/77/75/525607775.db2.gz MZEZXHRGFLMLGB-BDAKNGLRSA-N 0 0 313.294 4.360 20 10 DICDRN CSCc1cccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])c1 ZINC000188725662 525739214 /nfs/dbraw/zinc/73/92/14/525739214.db2.gz OOFHMDRIKTWVBT-GFCCVEGCSA-N 0 0 305.418 4.245 20 10 DICDRN Cc1ccc([C@H](C)Nc2cccc(N3CCCC3=O)c2)c(O)c1 ZINC000192938026 525948129 /nfs/dbraw/zinc/94/81/29/525948129.db2.gz UYIFELKRCVDMHN-AWEZNQCLSA-N 0 0 310.397 4.001 20 10 DICDRN Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)Cc2ccc(N)cc2)cc1 ZINC000159779560 526046190 /nfs/dbraw/zinc/04/61/90/526046190.db2.gz BWOAZQQURQFOIE-IIBYNOLFSA-N 0 0 322.452 4.120 20 10 DICDRN CC(C)CC(=O)Nc1ccc(N[C@@H]2CCc3cccc(O)c32)cc1 ZINC000296789506 535380842 /nfs/dbraw/zinc/38/08/42/535380842.db2.gz LANFZGJWQXWJNR-QGZVFWFLSA-N 0 0 324.424 4.476 20 10 DICDRN CCOc1cccc(CNc2ccccc2N2CCCC2)c1O ZINC000121586727 535463212 /nfs/dbraw/zinc/46/32/12/535463212.db2.gz UHBWBHQWOABFSN-UHFFFAOYSA-N 0 0 312.413 4.003 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H](C)c1nc(C)cs1)c1ccc(F)cc1[O-] ZINC000286277199 535804317 /nfs/dbraw/zinc/80/43/17/535804317.db2.gz VTMSDGDOCFQBLJ-QMTHXVAHSA-N 0 0 308.422 4.141 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1[O-] ZINC000285928419 535808626 /nfs/dbraw/zinc/80/86/26/535808626.db2.gz CUMSNRMMRHISOL-IAQYHMDHSA-N 0 0 318.348 4.241 20 10 DICDRN CC[C@H]([NH2+]C[C@H]1CCCOC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287654344 535912078 /nfs/dbraw/zinc/91/20/78/535912078.db2.gz LJRSEPMQFUSCMP-YGRLFVJLSA-N 0 0 318.244 4.166 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc(COC)cc1)c1cccc(Cl)c1[O-] ZINC000287864841 535917209 /nfs/dbraw/zinc/91/72/09/535917209.db2.gz XQOVGPKQOZLRRF-KRWDZBQOSA-N 0 0 319.832 4.433 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1cccc(Cl)c1[O-] ZINC000287771722 535938815 /nfs/dbraw/zinc/93/88/15/535938815.db2.gz RNQJULYBNITWDC-UHOFOFEASA-N 0 0 309.837 4.044 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000286882136 535939499 /nfs/dbraw/zinc/93/94/99/535939499.db2.gz CMXBDQQVIBUCKQ-QCZZGDTMSA-N 0 0 318.244 4.165 20 10 DICDRN COCC1(CC[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])CC1 ZINC000842891460 1047511601 /nfs/dbraw/zinc/51/16/01/1047511601.db2.gz UQDWGCJZTLAOPQ-JTQLQIEISA-N 0 0 318.244 4.166 20 10 DICDRN [O-]c1ccc(Cl)c(Cl)c1C[NH+]1CCC(C(F)F)CC1 ZINC001237084087 1055369183 /nfs/dbraw/zinc/36/91/83/1055369183.db2.gz HBPFBSCOIBBBTA-UHFFFAOYSA-N 0 0 310.171 4.176 20 10 DICDRN CCCC[C@H](C(=O)NCCCSc1nccs1)C(C)C ZINC001565620502 1055712390 /nfs/dbraw/zinc/71/23/90/1055712390.db2.gz UQDKHESCANYMED-ZDUSSCGKSA-N 0 0 314.520 4.204 20 10 DICDRN CC[C@@H]1CCCC[C@@H]1C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC001625794602 1035688786 /nfs/dbraw/zinc/68/87/86/1035688786.db2.gz MJAIXIHAQJNKOL-MJGOQNOKSA-N 0 0 316.489 4.318 20 10 DICDRN Cc1cc(C)c(C=C2SC(NC3CCCC3)=NC2=O)cc1C ZINC000021362225 1035724997 /nfs/dbraw/zinc/72/49/97/1035724997.db2.gz SCUUMAINWLTDJC-YBEGLDIGSA-N 0 0 314.454 4.114 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(F)c(F)c1 ZINC000118790350 1035828784 /nfs/dbraw/zinc/82/87/84/1035828784.db2.gz RSKDQWLKRNOLEQ-UHFFFAOYSA-N 0 0 320.339 4.115 20 10 DICDRN Cc1cnc(C)nc1N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC000579859201 1035858383 /nfs/dbraw/zinc/85/83/83/1035858383.db2.gz KSHMIHBLQNLPPF-UHFFFAOYSA-N 0 0 322.387 4.008 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccc(Cl)o2)cc1 ZINC000728221033 1036037779 /nfs/dbraw/zinc/03/77/79/1036037779.db2.gz MPKCRRHIFBIPDE-UHFFFAOYSA-N 0 0 320.820 4.051 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)C2CCCCC2)cc1 ZINC000728220245 1036046492 /nfs/dbraw/zinc/04/64/92/1036046492.db2.gz ZFQYDDRWCDACCS-UHFFFAOYSA-N 0 0 302.462 4.072 20 10 DICDRN Cc1ccc(F)cc1NCc1cccc(Br)c1O ZINC000042411695 1036114501 /nfs/dbraw/zinc/11/45/01/1036114501.db2.gz IOPJOZSSKIZUPF-UHFFFAOYSA-N 0 0 310.166 4.214 20 10 DICDRN CCOc1ccc(O)c(CNc2cccc(-c3ncco3)c2)c1 ZINC000160272493 1036188599 /nfs/dbraw/zinc/18/85/99/1036188599.db2.gz DBFYHOWEYOQAKX-UHFFFAOYSA-N 0 0 310.353 4.058 20 10 DICDRN Fc1cccc(Br)c1Nc1ccc2c(c1)OCCN2 ZINC001209766313 1036251634 /nfs/dbraw/zinc/25/16/34/1036251634.db2.gz NVNJHKQOKKEJFC-UHFFFAOYSA-N 0 0 323.165 4.136 20 10 DICDRN Cc1ccc(NC(=S)NNc2ccccc2Cl)cc1F ZINC000007351189 1036300060 /nfs/dbraw/zinc/30/00/60/1036300060.db2.gz CSBAGGCXFJXHFY-UHFFFAOYSA-N 0 0 309.797 4.101 20 10 DICDRN C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001204480446 1036338879 /nfs/dbraw/zinc/33/88/79/1036338879.db2.gz SBDYLIJLZAGKJY-FZMZJTMJSA-N 0 0 321.342 4.188 20 10 DICDRN COc1ccc(N(c2ccc(N)cc2)c2cnc(C)c(N)c2)cc1 ZINC001210289688 1036594744 /nfs/dbraw/zinc/59/47/44/1036594744.db2.gz XGSPHNJZCXORQC-UHFFFAOYSA-N 0 0 320.396 4.033 20 10 DICDRN CC[C@@H](C(=O)N[C@@H](C)c1ccccc1O)C1CCC(C)CC1 ZINC001648892090 1036676615 /nfs/dbraw/zinc/67/66/15/1036676615.db2.gz MKNXBTFHQGOQAN-BHDPWAOGSA-N 0 0 303.446 4.422 20 10 DICDRN CC[C@H](C(=O)N[C@@H](C)c1ccccc1O)C1CCC(C)CC1 ZINC001648892092 1036676652 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C[C@@H]([NH2+]C1Cc2ccccc2C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815616627 1041975354 /nfs/dbraw/zinc/97/53/54/1041975354.db2.gz TZMHLHIRYNLUND-LLVKDONJSA-N 0 0 321.342 4.229 20 10 DICDRN C[C@H]([NH2+]CCC1(F)CCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815627301 1041977393 /nfs/dbraw/zinc/97/73/93/1041977393.db2.gz YGWDOLGCDRIUAB-JTQLQIEISA-N 0 0 305.315 4.344 20 10 DICDRN COc1cc(N[C@H](C)c2cc(F)cc(F)c2O)cc(OC)c1C ZINC000815631079 1041978174 /nfs/dbraw/zinc/97/81/74/1041978174.db2.gz LOIXDYRJWIONHM-SNVBAGLBSA-N 0 0 323.339 4.169 20 10 DICDRN Cc1cc(C)c([C@@H](C)Nc2ccc(N3CCCC3)nc2)c(O)c1 ZINC000815607810 1041979608 /nfs/dbraw/zinc/97/96/08/1041979608.db2.gz IWUAGZNPBNYNJE-OAHLLOKOSA-N 0 0 311.429 4.177 20 10 DICDRN Cc1cc(C)c([C@H](C)Nc2ccc(N3CCCC3)nc2)c(O)c1 ZINC000815607809 1041979656 /nfs/dbraw/zinc/97/96/56/1041979656.db2.gz IWUAGZNPBNYNJE-HNNXBMFYSA-N 0 0 311.429 4.177 20 10 DICDRN COC1(CC[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])CCC1 ZINC000815642159 1041983416 /nfs/dbraw/zinc/98/34/16/1041983416.db2.gz UDLHWSZQGLUBLM-JTQLQIEISA-N 0 0 318.244 4.309 20 10 DICDRN C[C@H](NCc1c(F)cc(F)cc1F)c1ccc(N(C)C)cc1 ZINC000815650055 1041985585 /nfs/dbraw/zinc/98/55/85/1041985585.db2.gz HKWRJUIPPIVLOP-NSHDSACASA-N 0 0 308.347 4.021 20 10 DICDRN CC[C@@H]([NH2+][C@H](CC)C(C)(C)O)c1cc(Cl)cc(Cl)c1[O-] ZINC000815652343 1041985951 /nfs/dbraw/zinc/98/59/51/1041985951.db2.gz YVIQRYZGPIJKEL-CHWSQXEVSA-N 0 0 320.260 4.289 20 10 DICDRN Nc1ccc(Nc2cccc(OC(F)(F)C(F)F)c2)cc1 ZINC001159437932 1041998477 /nfs/dbraw/zinc/99/84/77/1041998477.db2.gz DTONYXWTJILLQF-UHFFFAOYSA-N 0 0 300.255 4.249 20 10 DICDRN CC[C@H]([NH2+]CC(C)(C)[C@H](O)C(C)C)c1cccc(Cl)c1[O-] ZINC000806147977 1042004230 /nfs/dbraw/zinc/00/42/30/1042004230.db2.gz BQTRLGBBQBAFBV-GOEBONIOSA-N 0 0 313.869 4.129 20 10 DICDRN C/C=C(\CC)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC001625905079 1042025018 /nfs/dbraw/zinc/02/50/18/1042025018.db2.gz GRZBKXWYGPULQO-HAVNEIBRSA-N 0 0 314.473 4.428 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC1CCCCC1 ZINC001135492478 1042037029 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4.191 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1coc2ccccc12 ZINC000816551229 1042064203 /nfs/dbraw/zinc/06/42/03/1042064203.db2.gz UDFGPNVRBHGRHV-UHFFFAOYSA-N 0 0 305.736 4.221 20 10 DICDRN Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])CC2 ZINC000816548193 1042064233 /nfs/dbraw/zinc/06/42/33/1042064233.db2.gz ZCGOOIMKWLOWGA-INIZCTEOSA-N 0 0 305.780 4.270 20 10 DICDRN CC(=O)Nc1cccc(NCc2ccc3ccccc3c2O)c1 ZINC000816522993 1042065069 /nfs/dbraw/zinc/06/50/69/1042065069.db2.gz XXKJSCXODYUKNP-UHFFFAOYSA-N 0 0 306.365 4.116 20 10 DICDRN COc1ccccc1[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816528473 1042065928 /nfs/dbraw/zinc/06/59/28/1042065928.db2.gz DSUXJFRIBSHDGI-SNVBAGLBSA-N 0 0 309.768 4.044 20 10 DICDRN CC(C)OC1CCC([NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816557801 1042067574 /nfs/dbraw/zinc/06/75/74/1042067574.db2.gz BNMKLUHMEJDYLA-UHFFFAOYSA-N 0 0 315.816 4.011 20 10 DICDRN Oc1cc(F)c(Cl)cc1CNc1ccnn1C1CCCCC1 ZINC000816562550 1042069455 /nfs/dbraw/zinc/06/94/55/1042069455.db2.gz PPTDTJNTWQTQQG-UHFFFAOYSA-N 0 0 323.799 4.499 20 10 DICDRN COc1cc(C)c(NCc2cc(Cl)c(F)cc2O)cc1F ZINC000816572642 1042070252 /nfs/dbraw/zinc/07/02/52/1042070252.db2.gz YBJRWCGXVDKEQD-UHFFFAOYSA-N 0 0 313.731 4.253 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCCc2sccc21 ZINC000816571340 1042070400 /nfs/dbraw/zinc/07/04/00/1042070400.db2.gz ZZWONXFMLPGDFT-ZDUSSCGKSA-N 0 0 311.809 4.413 20 10 DICDRN CC[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H](C)c1cccnc1 ZINC000816612158 1042073184 /nfs/dbraw/zinc/07/31/84/1042073184.db2.gz IAFLEIPAYHDRRK-LLVKDONJSA-N 0 0 308.784 4.163 20 10 DICDRN Fc1cc(Nc2ccc3c(c2)CCN3)ccc1OC(F)(F)F ZINC001159522013 1042079122 /nfs/dbraw/zinc/07/91/22/1042079122.db2.gz ACLYATFYVZOFGZ-UHFFFAOYSA-N 0 0 312.266 4.436 20 10 DICDRN CCc1ccccc1C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC001135733250 1042087066 /nfs/dbraw/zinc/08/70/66/1042087066.db2.gz ZVZVUMVCYKQIIA-UHFFFAOYSA-N 0 0 324.468 4.367 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccsc2C)cc1 ZINC001135733067 1042087073 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ZINC000817410514 1042108231 /nfs/dbraw/zinc/10/82/31/1042108231.db2.gz MPXIIIFHTOCVQT-UHFFFAOYSA-N 0 0 311.212 4.001 20 10 DICDRN O=C1/C(=C/c2cccc(C3CC3)c2)SC(=S)N1C1CCC1 ZINC000817707473 1042122118 /nfs/dbraw/zinc/12/21/18/1042122118.db2.gz JYQAHEGVQPHUKV-GDNBJRDFSA-N 0 0 315.463 4.318 20 10 DICDRN Cc1cc(C(=O)N(C)C2CCCC2)c(C)n1-c1cccc(C)c1 ZINC000218572496 1042124932 /nfs/dbraw/zinc/12/49/32/1042124932.db2.gz JQSKLGVNXDHOTA-UHFFFAOYSA-N 0 0 310.441 4.417 20 10 DICDRN C[C@@H](Nc1ccc2c(c1)CCN2)c1cc2c(cc1O)CCCC2 ZINC000817949811 1042130655 /nfs/dbraw/zinc/13/06/55/1042130655.db2.gz NHZMGTOZLSETEZ-CYBMUJFWSA-N 0 0 308.425 4.412 20 10 DICDRN Cc1ccc(Cl)cc1N(C)C(=O)/C=C\c1ccc(Cl)nc1 ZINC000818809353 1042160626 /nfs/dbraw/zinc/16/06/26/1042160626.db2.gz OEGQYLMTAPOYME-YVMONPNESA-N 0 0 321.207 4.373 20 10 DICDRN CC(C)CCCCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC001136189847 1042173311 /nfs/dbraw/zinc/17/33/11/1042173311.db2.gz HFJOMWINIMMPET-UHFFFAOYSA-N 0 0 302.462 4.119 20 10 DICDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@@H](C)C1CCCCC1 ZINC000819760927 1042196145 /nfs/dbraw/zinc/19/61/45/1042196145.db2.gz KAUILXINJOLCPP-CQSZACIVSA-N 0 0 324.461 4.101 20 10 DICDRN Fc1ccc2nc(C(F)F)nc(Sc3nccs3)c2c1 ZINC000820634134 1042222041 /nfs/dbraw/zinc/22/20/41/1042222041.db2.gz KVAUGXXPZWWTNQ-UHFFFAOYSA-N 0 0 313.329 4.314 20 10 DICDRN Cc1cccc([C@@H](NC(=O)C2=CC(=O)CS2)C(C)(C)C)c1 ZINC001136356193 1042222840 /nfs/dbraw/zinc/22/28/40/1042222840.db2.gz QYTULENIRFNLGR-OAHLLOKOSA-N 0 0 303.427 4.279 20 10 DICDRN Cc1cccc([C@H](NC(=O)C2=CC(=O)CS2)C(C)(C)C)c1 ZINC001136356192 1042223022 /nfs/dbraw/zinc/22/30/22/1042223022.db2.gz QYTULENIRFNLGR-HNNXBMFYSA-N 0 0 303.427 4.279 20 10 DICDRN CCc1ccc(C(=O)Nc2cccc(N3CCCCC3)c2)c(O)c1 ZINC001136407498 1042239278 /nfs/dbraw/zinc/23/92/78/1042239278.db2.gz CGHRIGIBMBGARK-UHFFFAOYSA-N 0 0 324.424 4.197 20 10 DICDRN CC1=CC[C@](C)(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000821843565 1042266111 /nfs/dbraw/zinc/26/61/11/1042266111.db2.gz 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C[C@H]([NH2+]Cc1nccs1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192707993 1043271951 /nfs/dbraw/zinc/27/19/51/1043271951.db2.gz YINABOWERZRJNZ-ZETCQYMHSA-N 0 0 303.214 4.006 20 10 DICDRN C[C@H]([NH2+]CCc1nccs1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192787052 1043274342 /nfs/dbraw/zinc/27/43/42/1043274342.db2.gz LULQXJFYOPKTBK-QMMMGPOBSA-N 0 0 317.241 4.049 20 10 DICDRN CCCNc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000193366320 1043284202 /nfs/dbraw/zinc/28/42/02/1043284202.db2.gz NAIOSCMWUHJZGB-ZDUSSCGKSA-N 0 0 302.393 4.204 20 10 DICDRN CCN(C)c1ccc([C@@H](C)Nc2cnn(CC(C)C)c2)cc1 ZINC000777274793 1043286921 /nfs/dbraw/zinc/28/69/21/1043286921.db2.gz JTRTZKOUCBONIS-OAHLLOKOSA-N 0 0 300.450 4.168 20 10 DICDRN COc1cccc(CNc2cc(C(F)(F)F)ccc2C)c1O ZINC000237238306 1043293183 /nfs/dbraw/zinc/29/31/83/1043293183.db2.gz CILXAGDGZKNUJN-UHFFFAOYSA-N 0 0 311.303 4.340 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Nc1cccc(C)c1 ZINC000018182054 1043347007 /nfs/dbraw/zinc/34/70/07/1043347007.db2.gz UUQJTTVMYRQVAZ-UHFFFAOYSA-N 0 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CC[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCOC1)c1cccc(Cl)c1[O-] ZINC000927068920 1043681077 /nfs/dbraw/zinc/68/10/77/1043681077.db2.gz JSSFWWXNQOMBQK-JQFCIGGWSA-N 0 0 323.864 4.292 20 10 DICDRN CC[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)c1cccc(Cl)c1[O-] ZINC000927068919 1043681357 /nfs/dbraw/zinc/68/13/57/1043681357.db2.gz JSSFWWXNQOMBQK-COXVUDFISA-N 0 0 323.864 4.292 20 10 DICDRN Nc1ccc(NC(=O)CCCSc2ccc(Cl)cc2)cc1 ZINC000021809016 1043707280 /nfs/dbraw/zinc/70/72/80/1043707280.db2.gz GWTQJIAUNKTGGA-UHFFFAOYSA-N 0 0 320.845 4.433 20 10 DICDRN CC(C)c1cccc(NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000876819597 1043713035 /nfs/dbraw/zinc/71/30/35/1043713035.db2.gz DQRBZPAMIDXAGS-UHFFFAOYSA-N 0 0 324.468 4.383 20 10 DICDRN CCCC(=O)Nc1cccc(NCc2c(C)cccc2O)c1C ZINC000876823926 1043715061 /nfs/dbraw/zinc/71/50/61/1043715061.db2.gz SSYXMDXZVIDUTB-UHFFFAOYSA-N 0 0 312.413 4.360 20 10 DICDRN C[C@@H](Nc1ccc2c(c1)CCCN2C)c1ccc(N(C)C)cc1 ZINC000777657279 1043727456 /nfs/dbraw/zinc/72/74/56/1043727456.db2.gz 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COc1ccc(N[C@@H]2CCc3cccc(O)c32)cc1SC ZINC000840774156 1044272077 /nfs/dbraw/zinc/27/20/77/1044272077.db2.gz LSFNNAQNLDJHQI-CYBMUJFWSA-N 0 0 301.411 4.222 20 10 DICDRN CC[C@@H]([NH2+][C@@H](CC)c1cccc(Cl)c1[O-])[C@H]1CCCOC1 ZINC000883352673 1044280399 /nfs/dbraw/zinc/28/03/99/1044280399.db2.gz GHDSRGFBMITIKL-MAZHCROVSA-N 0 0 311.853 4.292 20 10 DICDRN CC[C@@H]([NH2+][C@@H](CC)c1cccc(Cl)c1[O-])[C@@H]1CCCOC1 ZINC000883352675 1044280993 /nfs/dbraw/zinc/28/09/93/1044280993.db2.gz GHDSRGFBMITIKL-WQVCFCJDSA-N 0 0 311.853 4.292 20 10 DICDRN Cc1cccnc1[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C(C)C ZINC000293567408 1044299560 /nfs/dbraw/zinc/29/95/60/1044299560.db2.gz IQWDMBWTGDWVQI-MRXNPFEDSA-N 0 0 322.811 4.375 20 10 DICDRN CCCNC(=O)c1cccc(N[C@H](C)c2cc(C)ccc2O)c1 ZINC000192716290 1044304619 /nfs/dbraw/zinc/30/46/19/1044304619.db2.gz HRZKTYXTXFKDQJ-CQSZACIVSA-N 0 0 312.413 4.014 20 10 DICDRN COc1ccc(O)c([C@@H](C)Nc2cccc(OC(F)F)c2)c1 ZINC000192763908 1044307047 /nfs/dbraw/zinc/30/70/47/1044307047.db2.gz PSJMTJWHRZIMHJ-SNVBAGLBSA-N 0 0 309.312 4.175 20 10 DICDRN CCCc1nc(C)c(C[NH2+][C@H](C)c2cc(Cl)ccc2O)o1 ZINC000293655286 1044309645 /nfs/dbraw/zinc/30/96/45/1044309645.db2.gz LNDFIDDRFJJKJA-SNVBAGLBSA-N 0 0 308.809 4.145 20 10 DICDRN Cc1cc(C)cc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000133392942 1044385340 /nfs/dbraw/zinc/38/53/40/1044385340.db2.gz JTCLSOLKGBAAHU-UHFFFAOYSA-N 0 0 321.424 4.001 20 10 DICDRN CC(=O)N(c1ccc(NCc2cccc(C)c2O)cc1)[C@@H]1C[C@@H]1C ZINC000294167553 1044386859 /nfs/dbraw/zinc/38/68/59/1044386859.db2.gz WGSHTZLERHIQKW-IFXJQAMLSA-N 0 0 324.424 4.074 20 10 DICDRN C[C@H](Nc1cccc(NC(=O)C2CC2)c1)c1ccc(N(C)C)cc1 ZINC000192929346 1044402728 /nfs/dbraw/zinc/40/27/28/1044402728.db2.gz KGQZSMDGHDDOSM-AWEZNQCLSA-N 0 0 323.440 4.274 20 10 DICDRN C[C@@H](Nc1cccc(NC(=O)C2CC2)c1)c1ccc(N(C)C)cc1 ZINC000192929359 1044402781 /nfs/dbraw/zinc/40/27/81/1044402781.db2.gz KGQZSMDGHDDOSM-CQSZACIVSA-N 0 0 323.440 4.274 20 10 DICDRN CCN(CC)c1ccc(CNC2(C(F)F)CCCC2)cc1F ZINC001202630673 1044409880 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C[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)c1cccc(Cl)c1 ZINC000759598777 1044519568 /nfs/dbraw/zinc/51/95/68/1044519568.db2.gz YIGBTRBBRQJRQW-JYKYSHPRSA-N 0 0 318.756 4.069 20 10 DICDRN CC[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000134907334 1044534561 /nfs/dbraw/zinc/53/45/61/1044534561.db2.gz MUYAEASGFILXFP-YUMQZZPRSA-N 0 0 306.631 4.257 20 10 DICDRN COc1ccc(N(Cc2cccs2)Cc2nccs2)cc1 ZINC000135181062 1044540866 /nfs/dbraw/zinc/54/08/66/1044540866.db2.gz IQWNWKZNMUBLTI-UHFFFAOYSA-N 0 0 316.451 4.420 20 10 DICDRN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)C1=CCCCC1 ZINC000295971612 1044580234 /nfs/dbraw/zinc/58/02/34/1044580234.db2.gz NLPHRJGAQULYQN-UHFFFAOYSA-N 0 0 309.431 4.024 20 10 DICDRN Cc1cc([C@@H]2CCC[N@@H+]2Cc2c(O)ccc3ccccc32)no1 ZINC000363356812 1044607266 /nfs/dbraw/zinc/60/72/66/1044607266.db2.gz OOMUAKGZWBMJQG-SFHVURJKSA-N 0 0 308.381 4.179 20 10 DICDRN CCN(C)c1ccc([C@H](C)NCc2cc(F)cnc2Cl)cc1 ZINC000296637880 1044638288 /nfs/dbraw/zinc/63/82/88/1044638288.db2.gz BWJJAACVWROPPH-LBPRGKRZSA-N 0 0 321.827 4.181 20 10 DICDRN COc1ccc([C@@H]([NH2+][C@@H](C)c2c([O-])cccc2F)C2CC2)cc1 ZINC000886495239 1044647990 /nfs/dbraw/zinc/64/79/90/1044647990.db2.gz OQNZFPPASNPGFM-BUXKBTBVSA-N 0 0 315.388 4.342 20 10 DICDRN CC[C@H]([NH2+][C@H](C)c1c([O-])cccc1F)c1ccccc1OC ZINC000886501208 1044648766 /nfs/dbraw/zinc/64/87/66/1044648766.db2.gz AXANDJJLVZKYGT-DOMZBBRYSA-N 0 0 303.377 4.342 20 10 DICDRN CC(C)Oc1cccc(C[NH2+][C@H](C)c2c([O-])cccc2F)c1 ZINC000886506225 1044650815 /nfs/dbraw/zinc/65/08/15/1044650815.db2.gz HSBGOTDKFDFULD-CYBMUJFWSA-N 0 0 303.377 4.169 20 10 DICDRN CCOc1cccc([C@H](C)[NH2+][C@H](C)c2c([O-])cccc2F)c1 ZINC000886517657 1044652725 /nfs/dbraw/zinc/65/27/25/1044652725.db2.gz LTAHQIOOBYPMBG-QWHCGFSZSA-N 0 0 303.377 4.342 20 10 DICDRN C[C@@H]([NH2+][C@H]1CCOc2c(Cl)cccc21)c1c([O-])cccc1F ZINC000886513951 1044653326 /nfs/dbraw/zinc/65/33/26/1044653326.db2.gz ARTGNIKUUDPTGL-YGRLFVJLSA-N 0 0 321.779 4.359 20 10 DICDRN Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2c([O-])cccc2F)cc1[N+](=O)[O-] ZINC000886549725 1044658280 /nfs/dbraw/zinc/65/82/80/1044658280.db2.gz MRFYKMVOSPZDNL-NEPJUHHUSA-N 0 0 318.348 4.160 20 10 DICDRN Cc1ccc(NC(=S)NNc2ccc(Cl)cc2)cc1F ZINC000007350397 1044659890 /nfs/dbraw/zinc/65/98/90/1044659890.db2.gz KZYHLMSIFYWUPR-UHFFFAOYSA-N 0 0 309.797 4.101 20 10 DICDRN CCOc1cc(N[C@@H](C)c2c(O)cccc2F)ccc1OC ZINC000886566409 1044660939 /nfs/dbraw/zinc/66/09/39/1044660939.db2.gz PTVSHEZUHGPHAM-NSHDSACASA-N 0 0 305.349 4.112 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)c1c([O-])cccc1F ZINC000886620266 1044671348 /nfs/dbraw/zinc/67/13/48/1044671348.db2.gz GGABHNXFKVFMRW-YWPYICTPSA-N 0 0 321.417 4.164 20 10 DICDRN C[C@@H]([NH2+]C1CCC(OC(C)(C)C)CC1)c1c([O-])cccc1F ZINC000886644413 1044673152 /nfs/dbraw/zinc/67/31/52/1044673152.db2.gz CKWMTBWLBIZGAB-IYXRBSQSSA-N 0 0 309.425 4.308 20 10 DICDRN CCCCOc1ncccc1C[NH2+][C@H](CC)c1ccccc1O ZINC000155315666 1044696483 /nfs/dbraw/zinc/69/64/83/1044696483.db2.gz CGRNCGNSHQWYPQ-QGZVFWFLSA-N 0 0 314.429 4.207 20 10 DICDRN CC[C@@H](Nc1cccc([C@@H]2CCCC(=O)N2)c1)c1ccccc1O ZINC000886806419 1044704308 /nfs/dbraw/zinc/70/43/08/1044704308.db2.gz UBLZLJJIYYRNPD-MSOLQXFVSA-N 0 0 324.424 4.297 20 10 DICDRN Cc1ccc([C@H](C)Nc2cccc([C@H]3CCCC(=O)N3)c2)c(O)c1 ZINC000886806696 1044704385 /nfs/dbraw/zinc/70/43/85/1044704385.db2.gz XSDDXTZTGLYFHN-KBXCAEBGSA-N 0 0 324.424 4.215 20 10 DICDRN C[C@@H](NCc1coc(-c2ccccc2)n1)c1ccc(N(C)C)cc1 ZINC000123807979 1044788026 /nfs/dbraw/zinc/78/80/26/1044788026.db2.gz XKECHUFOXICOAE-OAHLLOKOSA-N 0 0 321.424 4.258 20 10 DICDRN Cc1cc(C(=O)N2CC[C@@H](C)[C@H]2C)c(C)n1-c1ccccc1C ZINC001137244524 1044788130 /nfs/dbraw/zinc/78/81/30/1044788130.db2.gz RSMSYKVQOKDGLH-CZUORRHYSA-N 0 0 310.441 4.273 20 10 DICDRN Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000134916973 1044973169 /nfs/dbraw/zinc/97/31/69/1044973169.db2.gz ANHONNRYBBGPRO-RYUDHWBXSA-N 0 0 319.424 4.203 20 10 DICDRN CC(C)C[C@@H](NC(=O)CSc1nccs1)c1ccccc1 ZINC000047250117 1045034179 /nfs/dbraw/zinc/03/41/79/1045034179.db2.gz SZYGHBRMEPCWTD-CQSZACIVSA-N 0 0 320.483 4.139 20 10 DICDRN CC[N@H+](Cc1ccccc1O)Cc1ccccc1Br ZINC000778996605 1045111465 /nfs/dbraw/zinc/11/14/65/1045111465.db2.gz RTLILHJNQHVYQS-UHFFFAOYSA-N 0 0 320.230 4.177 20 10 DICDRN CC[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1O ZINC000778996541 1045111641 /nfs/dbraw/zinc/11/16/41/1045111641.db2.gz PSNWKQPFNXQRKQ-UHFFFAOYSA-N 0 0 309.331 4.433 20 10 DICDRN Oc1cccc(Cl)c1CNc1ccc2c(cnn2C(F)F)c1 ZINC000777501252 1045157865 /nfs/dbraw/zinc/15/78/65/1045157865.db2.gz LBJKIYYCJDVGON-UHFFFAOYSA-N 0 0 323.730 4.403 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000777501416 1045157888 /nfs/dbraw/zinc/15/78/88/1045157888.db2.gz UXGFUMLLRCJZQU-UHFFFAOYSA-N 0 0 324.811 4.397 20 10 DICDRN CN(C)c1ccc(CNc2nc3ccc(F)cc3s2)cc1 ZINC000777508233 1045158971 /nfs/dbraw/zinc/15/89/71/1045158971.db2.gz JIGJUHKAZLBFAL-UHFFFAOYSA-N 0 0 301.390 4.114 20 10 DICDRN Oc1cccc(Cl)c1CNc1nnc(CC2CCCCC2)o1 ZINC000777515823 1045165540 /nfs/dbraw/zinc/16/55/40/1045165540.db2.gz PKTPLMFSJFBFDY-UHFFFAOYSA-N 0 0 321.808 4.164 20 10 DICDRN CN(C)c1ccc(CNc2ccc(SC(F)F)nc2)cc1 ZINC000777521117 1045167283 /nfs/dbraw/zinc/16/72/83/1045167283.db2.gz NEIBHGJYDLKEOM-UHFFFAOYSA-N 0 0 309.385 4.074 20 10 DICDRN CCC[C@H](NCc1ccc2c(c1)CCO2)c1ncccc1Cl ZINC000924900204 1045209805 /nfs/dbraw/zinc/20/98/05/1045209805.db2.gz LCFPIPPNDMTODY-INIZCTEOSA-N 0 0 316.832 4.301 20 10 DICDRN CCOC[C@H](C)[NH2+][C@@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000779074452 1045248521 /nfs/dbraw/zinc/24/85/21/1045248521.db2.gz SYNVRSKASLYLRE-CABZTGNLSA-N 0 0 306.233 4.165 20 10 DICDRN COc1cc2nc(C)sc2cc1NCc1cc(F)ccc1O ZINC000779123931 1045299595 /nfs/dbraw/zinc/29/95/95/1045299595.db2.gz ZOKKRJGXDMKDRE-UHFFFAOYSA-N 0 0 318.373 4.070 20 10 DICDRN CCCCC[C@@](C)(CC)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000189049393 1045342643 /nfs/dbraw/zinc/34/26/43/1045342643.db2.gz UPCZPHXTVUEXJO-AUUYWEPGSA-N 0 0 321.461 4.142 20 10 DICDRN COc1cc(NCc2cccc(C)c2O)cc(OC)c1C(C)C ZINC000779167451 1045349032 /nfs/dbraw/zinc/34/90/32/1045349032.db2.gz FZJJHXHQDHMYMB-UHFFFAOYSA-N 0 0 315.413 4.453 20 10 DICDRN CC[C@H](C)N(C)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000750575629 1045536441 /nfs/dbraw/zinc/53/64/41/1045536441.db2.gz WYLFOGPMFXBBHR-LBPRGKRZSA-N 0 0 302.393 4.104 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)CCc1ccc(C)cc1 ZINC000750859026 1045563048 /nfs/dbraw/zinc/56/30/48/1045563048.db2.gz JEONNXSORDQTKC-UHFFFAOYSA-N 0 0 311.425 4.072 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)c1oc2ccccc2c1C ZINC000750861245 1045564069 /nfs/dbraw/zinc/56/40/69/1045564069.db2.gz ADMKBEJAKDLWNH-UHFFFAOYSA-N 0 0 323.392 4.499 20 10 DICDRN C[C@@H]([NH2+]CCc1ccco1)c1ccc(Cl)c(Cl)c1[O-] ZINC000119881696 1045580678 /nfs/dbraw/zinc/58/06/78/1045580678.db2.gz BYVYPDOTSZTOSU-SECBINFHSA-N 0 0 300.185 4.185 20 10 DICDRN C[C@@H]1CO[C@@H](C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC001124108461 1045596530 /nfs/dbraw/zinc/59/65/30/1045596530.db2.gz JDBKHRJWXLNEGB-SUMWQHHRSA-N 0 0 309.369 4.466 20 10 DICDRN COc1cccc(CNc2ccc(COC(C)(C)C)cc2)c1O ZINC000752264484 1045669899 /nfs/dbraw/zinc/66/98/99/1045669899.db2.gz FFMQMXXPLUSSDZ-UHFFFAOYSA-N 0 0 315.413 4.328 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H](C)[C@@H]1C ZINC000752474165 1045681545 /nfs/dbraw/zinc/68/15/45/1045681545.db2.gz QMEBMFVOIQKJAK-FZMZJTMJSA-N 0 0 302.443 4.026 20 10 DICDRN CC[C@H](C)c1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC001124480719 1045705373 /nfs/dbraw/zinc/70/53/73/1045705373.db2.gz VDUMTGURRSDBAI-HNNXBMFYSA-N 0 0 310.441 4.196 20 10 DICDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1CCCCCC1 ZINC001124549637 1045720057 /nfs/dbraw/zinc/72/00/57/1045720057.db2.gz NXGWAUWPJXYRMC-UHFFFAOYSA-N 0 0 314.473 4.216 20 10 DICDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C=C1CCCCC1 ZINC001124549430 1045720804 /nfs/dbraw/zinc/72/08/04/1045720804.db2.gz IBCCLBPKTZNWRY-UHFFFAOYSA-N 0 0 312.457 4.136 20 10 DICDRN Cc1cc(C=C2SC(NC3CCCCC3)=NC2=O)ccc1F ZINC000078494129 1045725089 /nfs/dbraw/zinc/72/50/89/1045725089.db2.gz FNCWONPQFJXPRS-GDNBJRDFSA-N 0 0 318.417 4.027 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1cc(C)oc1C ZINC000801547829 1045735620 /nfs/dbraw/zinc/73/56/20/1045735620.db2.gz AVSRTXJJLHAVGR-UHFFFAOYSA-N 0 0 301.386 4.045 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)c1ccccc1 ZINC000801548815 1045737301 /nfs/dbraw/zinc/73/73/01/1045737301.db2.gz ROPCCZNCXJLPJU-INIZCTEOSA-N 0 0 311.425 4.325 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)Cc1ccsc1C ZINC000801551012 1045737365 /nfs/dbraw/zinc/73/73/65/1045737365.db2.gz GVDNTBUWUDEHLB-UHFFFAOYSA-N 0 0 317.454 4.134 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)CC1=CCCCC1 ZINC000801548646 1045737553 /nfs/dbraw/zinc/73/75/53/1045737553.db2.gz KJTWVSIUXXWGPH-UHFFFAOYSA-N 0 0 301.430 4.411 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1cc2ccccc2[nH]1 ZINC000801550047 1045737772 /nfs/dbraw/zinc/73/77/72/1045737772.db2.gz MDUKYLLENZKGRX-UHFFFAOYSA-N 0 0 322.408 4.316 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](C)c1ccc(C)o1 ZINC000801549760 1045737913 /nfs/dbraw/zinc/73/79/13/1045737913.db2.gz ZBWDOTAPMKSDJX-OAHLLOKOSA-N 0 0 315.413 4.226 20 10 DICDRN Cc1ccc(/C=C/C(=O)N2CC[C@@H](C)Sc3ccccc32)cn1 ZINC000779472577 1045753198 /nfs/dbraw/zinc/75/31/98/1045753198.db2.gz YECXRAODMWOFRQ-BOLDSZDNSA-N 0 0 324.449 4.321 20 10 DICDRN CC(C)(C)c1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000779473016 1045753509 /nfs/dbraw/zinc/75/35/09/1045753509.db2.gz FBMWBLPRKUBDLP-VZUCSPMQSA-N 0 0 311.381 4.047 20 10 DICDRN Cc1ccc(/C=C/C(=O)N2CC[C@H](C)Sc3ccccc32)cn1 ZINC000779472578 1045753695 /nfs/dbraw/zinc/75/36/95/1045753695.db2.gz YECXRAODMWOFRQ-FEAKQIBJSA-N 0 0 324.449 4.321 20 10 DICDRN C[C@@H]1CC/C(=C\C(=O)NCc2ccc(N3CCCCC3)cc2)C1 ZINC000753594485 1045773235 /nfs/dbraw/zinc/77/32/35/1045773235.db2.gz CWYBXLWOHLNEJU-WDMNMGCXSA-N 0 0 312.457 4.040 20 10 DICDRN CCN1C(=O)/C(=C/c2cc(Cl)ccc2Cl)SC1=S ZINC000753687566 1045791446 /nfs/dbraw/zinc/79/14/46/1045791446.db2.gz JOXYLSZVNWGTFK-POHAHGRESA-N 0 0 318.250 4.215 20 10 DICDRN CCc1ccccc1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC001124938981 1045810597 /nfs/dbraw/zinc/81/05/97/1045810597.db2.gz FUGFGJJFODOKTM-UHFFFAOYSA-N 0 0 324.468 4.366 20 10 DICDRN CC(=O)c1cc(F)cc(CN(C)[C@@H](C)c2ccccc2F)c1O ZINC000320882068 1045812735 /nfs/dbraw/zinc/81/27/35/1045812735.db2.gz LRMNTCDDDSINRR-NSHDSACASA-N 0 0 319.351 4.066 20 10 DICDRN CC(C)c1cnc(NCc2ccc(N3CCCC3)cc2)s1 ZINC000754008452 1045833294 /nfs/dbraw/zinc/83/32/94/1045833294.db2.gz VGHCIILKUKBLAK-UHFFFAOYSA-N 0 0 301.459 4.479 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000801961290 1045864165 /nfs/dbraw/zinc/86/41/65/1045864165.db2.gz UAJXEVCTVDGOBF-RDJZCZTQSA-N 0 0 318.461 4.283 20 10 DICDRN Cc1ccc([C@H]2CCCCCN2C(=O)C2=CC(=O)CS2)o1 ZINC000828402990 1045905662 /nfs/dbraw/zinc/90/56/62/1045905662.db2.gz HLCIFTGELMWNAV-CYBMUJFWSA-N 0 0 305.399 4.113 20 10 DICDRN Cc1cc(CN2CCC[C@@H]2c2ncc[nH]2)ccc1N1CCCCC1 ZINC000828603601 1045918098 /nfs/dbraw/zinc/91/80/98/1045918098.db2.gz GJRDOIOLKLRTDH-LJQANCHMSA-N 0 0 324.472 4.046 20 10 DICDRN COc1cc(CN(CC(F)F)C(C)C)c(O)c(C(C)(C)C)c1 ZINC000754742134 1045924145 /nfs/dbraw/zinc/92/41/45/1045924145.db2.gz ZFHWZLOWRNKQIO-UHFFFAOYSA-N 0 0 315.404 4.174 20 10 DICDRN COc1ccc(O)c([C@H](C)Nc2ccc3c(c2)OC(C)(C)O3)c1 ZINC000192716588 1045926848 /nfs/dbraw/zinc/92/68/48/1045926848.db2.gz SAELMPBCJBZWRD-NSHDSACASA-N 0 0 315.369 4.081 20 10 DICDRN CCc1nc(C)c(CSc2ncc(-c3ccccc3)n2C)o1 ZINC000828808262 1045935079 /nfs/dbraw/zinc/93/50/79/1045935079.db2.gz JCKIZWDBZOKIMV-UHFFFAOYSA-N 0 0 313.426 4.238 20 10 DICDRN O=C1/C(=C\c2ccsc2)SC(=S)N1C1CCCCC1 ZINC000192839514 1045944078 /nfs/dbraw/zinc/94/40/78/1045944078.db2.gz CIEUYPVVRWIWDK-XYOKQWHBSA-N 0 0 309.481 4.282 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCC[C@H]1C ZINC000802314231 1045953825 /nfs/dbraw/zinc/95/38/25/1045953825.db2.gz ANXCDQMENYYYHX-HZPDHXFCSA-N 0 0 318.461 4.140 20 10 DICDRN C[C@H](Nc1ccc(OC(F)F)nc1)c1cc(Cl)ccc1O ZINC000802321488 1045954053 /nfs/dbraw/zinc/95/40/53/1045954053.db2.gz XZGGFGMDBWZKKX-QMMMGPOBSA-N 0 0 314.719 4.215 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCC[C@@H]1C ZINC000802314232 1045954496 /nfs/dbraw/zinc/95/44/96/1045954496.db2.gz ANXCDQMENYYYHX-JKSUJKDBSA-N 0 0 318.461 4.140 20 10 DICDRN O=C(Nc1cc[nH]n1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000755210381 1045964320 /nfs/dbraw/zinc/96/43/20/1045964320.db2.gz GVGBUXZHJWXCQG-UHFFFAOYSA-N 0 0 306.329 4.469 20 10 DICDRN [O-]c1cccc(F)c1C[N@@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC001137837810 1045979106 /nfs/dbraw/zinc/97/91/06/1045979106.db2.gz VORPPOZTYWZNMB-LBPRGKRZSA-N 0 0 305.780 4.174 20 10 DICDRN CCOc1ccc([C@H]2CCC[N@@H+]2Cc2c([O-])cccc2F)cc1 ZINC001137839239 1045979354 /nfs/dbraw/zinc/97/93/54/1045979354.db2.gz XXOXXDWJOQCDMA-GOSISDBHSA-N 0 0 315.388 4.267 20 10 DICDRN Cc1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(Cl)c1 ZINC000755387002 1045981059 /nfs/dbraw/zinc/98/10/59/1045981059.db2.gz UEUNSMGEHKVKEB-CYBMUJFWSA-N 0 0 316.832 4.205 20 10 DICDRN Cc1cc(C[N@@H+]2CCc3cnccc3C2)c(C)n1-c1ccccc1 ZINC001137853982 1045986020 /nfs/dbraw/zinc/98/60/20/1045986020.db2.gz CVUDDBSFTJTMJK-UHFFFAOYSA-N 0 0 317.436 4.047 20 10 DICDRN FC(F)(F)[C@@H]1CCC[C@H](CSc2ncc(Cl)s2)O1 ZINC001644122372 1045992142 /nfs/dbraw/zinc/99/21/42/1045992142.db2.gz BYEUGPKOQQKSGH-RQJHMYQMSA-N 0 0 317.785 4.389 20 10 DICDRN COc1ccc(O)c([C@H](C)NC(=O)C2(CC(C)C)CCCC2)c1 ZINC000755784229 1046016057 /nfs/dbraw/zinc/01/60/57/1046016057.db2.gz DODOUCJVFICBPQ-AWEZNQCLSA-N 0 0 319.445 4.185 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCCC(C)(C)C1 ZINC000755970385 1046034598 /nfs/dbraw/zinc/03/45/98/1046034598.db2.gz CHGVOQBDWKMKDF-HNNXBMFYSA-N 0 0 303.446 4.347 20 10 DICDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000830141521 1046045429 /nfs/dbraw/zinc/04/54/29/1046045429.db2.gz VVOCCCDRVOKFKC-MJGOQNOKSA-N 0 0 323.436 4.010 20 10 DICDRN C[C@@H](CCc1ccccc1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756343350 1046066777 /nfs/dbraw/zinc/06/67/77/1046066777.db2.gz XZSMXHQMJNDOEI-STQMWFEESA-N 0 0 305.368 4.342 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1ccc(OC)cc1 ZINC000756357660 1046069372 /nfs/dbraw/zinc/06/93/72/1046069372.db2.gz OHZYTNXZDAPJJV-GTNSWQLSSA-N 0 0 321.367 4.481 20 10 DICDRN C[C@@H]([NH2+]C1CCCCC1)c1cc(Br)cc(F)c1[O-] ZINC000756354401 1046070042 /nfs/dbraw/zinc/07/00/42/1046070042.db2.gz ARLLEJUHROUEGM-SECBINFHSA-N 0 0 316.214 4.277 20 10 DICDRN COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756359986 1046070841 /nfs/dbraw/zinc/07/08/41/1046070841.db2.gz FDLFGYRGFSIFJM-RYUDHWBXSA-N 0 0 321.367 4.399 20 10 DICDRN CCCOc1ccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756416023 1046077935 /nfs/dbraw/zinc/07/79/35/1046077935.db2.gz GAFCIOLYUVJSNX-LBPRGKRZSA-N 0 0 321.367 4.310 20 10 DICDRN CC[C@H](Nc1ccc(C)cc1OCCOC)c1ccccc1O ZINC000193908663 1046080072 /nfs/dbraw/zinc/08/00/72/1046080072.db2.gz XSSIWJDXMMCBDV-INIZCTEOSA-N 0 0 315.413 4.289 20 10 DICDRN COCCOc1cc(C)ccc1N[C@H](C)c1cc(C)ccc1O ZINC000193909282 1046080249 /nfs/dbraw/zinc/08/02/49/1046080249.db2.gz LESKFKIJYTVFNZ-OAHLLOKOSA-N 0 0 315.413 4.207 20 10 DICDRN C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)c1cc(F)cc(F)c1[O-] ZINC000756433907 1046080797 /nfs/dbraw/zinc/08/07/97/1046080797.db2.gz QXQKAJQAZQWQBU-OUJBWJOFSA-N 0 0 307.340 4.238 20 10 DICDRN C[C@@H]([NH2+]C1CCC(C)(O)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756635652 1046114282 /nfs/dbraw/zinc/11/42/82/1046114282.db2.gz SJFAGZWWSMJRNX-SBTGLGLWSA-N 0 0 318.244 4.043 20 10 DICDRN CC(C)c1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000756453932 1046081412 /nfs/dbraw/zinc/08/14/12/1046081412.db2.gz JSDGOOIDJPGKRJ-CYBMUJFWSA-N 0 0 314.385 4.275 20 10 DICDRN C[C@@H]([NH2+]Cc1cc2ccccc2o1)c1cc(F)cc(F)c1[O-] ZINC000756451183 1046081747 /nfs/dbraw/zinc/08/17/47/1046081747.db2.gz XAWZXJZTNLQRIU-SNVBAGLBSA-N 0 0 303.308 4.267 20 10 DICDRN Cc1cccc(OC[C@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756445822 1046082491 /nfs/dbraw/zinc/08/24/91/1046082491.db2.gz PRIPZZDUAALULJ-QWHCGFSZSA-N 0 0 321.367 4.097 20 10 DICDRN C[C@H]([NH2+]Cc1ccc2ccccc2c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756455422 1046085283 /nfs/dbraw/zinc/08/52/83/1046085283.db2.gz KNKVOKRBMNXLKC-ZDUSSCGKSA-N 0 0 322.364 4.304 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCCOc2ccc(F)cc21)c1ccc(F)cc1[O-] ZINC000756481935 1046086473 /nfs/dbraw/zinc/08/64/73/1046086473.db2.gz GUUJAHLMWHRXIG-BDJLRTHQSA-N 0 0 319.351 4.235 20 10 DICDRN C[C@@H]([NH2+][C@H]1CCCOc2ccc(F)cc21)c1ccc(F)cc1[O-] ZINC000756481936 1046087772 /nfs/dbraw/zinc/08/77/72/1046087772.db2.gz GUUJAHLMWHRXIG-BZNIZROVSA-N 0 0 319.351 4.235 20 10 DICDRN CCCCOCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756502156 1046090868 /nfs/dbraw/zinc/09/08/68/1046090868.db2.gz FJHVCOCKGWXFKA-SNVBAGLBSA-N 0 0 306.233 4.166 20 10 DICDRN CC[C@@H](C)[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000779820297 1046096748 /nfs/dbraw/zinc/09/67/48/1046096748.db2.gz GHKJADKCCDGFOZ-HZPDHXFCSA-N 0 0 304.478 4.172 20 10 DICDRN Cc1cccc2[nH]cc(CC[NH2+][C@H](C)c3ccc(F)cc3[O-])c21 ZINC000756531751 1046097352 /nfs/dbraw/zinc/09/73/52/1046097352.db2.gz BZRHGCDAGVRXKK-CYBMUJFWSA-N 0 0 312.388 4.214 20 10 DICDRN Cc1ncsc1C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756549485 1046097822 /nfs/dbraw/zinc/09/78/22/1046097822.db2.gz NXVVUYRFWQRLJM-ZETCQYMHSA-N 0 0 317.241 4.315 20 10 DICDRN Cc1cc(C)cc([C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000756554817 1046099089 /nfs/dbraw/zinc/09/90/89/1046099089.db2.gz QAHBCGQIPPBLNZ-KGLIPLIRSA-N 0 0 314.385 4.329 20 10 DICDRN C[C@@H]([NH2+]CCCc1cccc(F)c1)c1cc(F)cc(F)c1[O-] ZINC000756564490 1046100320 /nfs/dbraw/zinc/10/03/20/1046100320.db2.gz SYUXDAZSYDLTGT-LLVKDONJSA-N 0 0 309.331 4.093 20 10 DICDRN CCc1nc([C@@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cs1 ZINC000756571367 1046101216 /nfs/dbraw/zinc/10/12/16/1046101216.db2.gz ZCKQKYSWJDKNMK-DTWKUNHWSA-N 0 0 312.385 4.101 20 10 DICDRN Cc1cccc([C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1C ZINC000756584204 1046104529 /nfs/dbraw/zinc/10/45/29/1046104529.db2.gz GAQULOQJUBRBCS-ZIAGYGMSSA-N 0 0 314.385 4.329 20 10 DICDRN Cc1cccnc1[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C(C)C ZINC000756582455 1046104918 /nfs/dbraw/zinc/10/49/18/1046104918.db2.gz IUTBYIHPLLENJA-MLGOLLRUSA-N 0 0 320.383 4.422 20 10 DICDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC001138130720 1046104906 /nfs/dbraw/zinc/10/49/06/1046104906.db2.gz GGYYYVYKXGUJRH-MRXNPFEDSA-N 0 0 307.315 4.147 20 10 DICDRN C[C@@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)c1ccc(F)cc1[O-] ZINC000756591985 1046106116 /nfs/dbraw/zinc/10/61/16/1046106116.db2.gz RDCSZANMNKYXQH-LLVKDONJSA-N 0 0 316.351 4.045 20 10 DICDRN COC[C@@H]([NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-])C(C)C ZINC000756599119 1046106509 /nfs/dbraw/zinc/10/65/09/1046106509.db2.gz XIOBBJLMPKIHGW-BXKDBHETSA-N 0 0 306.233 4.021 20 10 DICDRN Cc1cccc2c(CC[NH2+][C@H](C)c3ccc(F)cc3[O-])c[nH]c21 ZINC000756595926 1046106719 /nfs/dbraw/zinc/10/67/19/1046106719.db2.gz AHBLJFXUGDNTQL-CYBMUJFWSA-N 0 0 312.388 4.214 20 10 DICDRN Cc1cccc([C@H](C)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000756603444 1046108329 /nfs/dbraw/zinc/10/83/29/1046108329.db2.gz BUGRMOWGQAVZEJ-KGLIPLIRSA-N 0 0 314.385 4.063 20 10 DICDRN CO[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccc(Cl)cc1 ZINC000756615023 1046110396 /nfs/dbraw/zinc/11/03/96/1046110396.db2.gz VBWPWPPEYLXBER-APPDUMDISA-N 0 0 323.795 4.223 20 10 DICDRN CCS[C@@H]1CCC[C@H]([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000756638805 1046113910 /nfs/dbraw/zinc/11/39/10/1046113910.db2.gz RUOHBBXHEDAUOD-KGYLQXTDSA-N 0 0 315.429 4.385 20 10 DICDRN CSCc1cc(F)ccc1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756643849 1046116339 /nfs/dbraw/zinc/11/63/39/1046116339.db2.gz AHGKMVRCURQBKD-NSHDSACASA-N 0 0 323.408 4.384 20 10 DICDRN Cc1cc(F)ccc1CC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756645802 1046116493 /nfs/dbraw/zinc/11/64/93/1046116493.db2.gz KECDPPPPXVTBLO-NSHDSACASA-N 0 0 309.331 4.011 20 10 DICDRN Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756681410 1046119972 /nfs/dbraw/zinc/11/99/72/1046119972.db2.gz AURXRMIKDIIGNU-MEDUHNTESA-N 0 0 319.351 4.072 20 10 DICDRN Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756681407 1046120276 /nfs/dbraw/zinc/12/02/76/1046120276.db2.gz AURXRMIKDIIGNU-BZNIZROVSA-N 0 0 319.351 4.072 20 10 DICDRN COc1ccc(C(C)(C)C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000756683568 1046120583 /nfs/dbraw/zinc/12/05/83/1046120583.db2.gz RWURXOVSBBFNSB-ZDUSSCGKSA-N 0 0 317.404 4.168 20 10 DICDRN COc1ccc(C(C)(C)C[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000756683565 1046120776 /nfs/dbraw/zinc/12/07/76/1046120776.db2.gz RWURXOVSBBFNSB-CYBMUJFWSA-N 0 0 317.404 4.168 20 10 DICDRN CO[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])c1cccc(Cl)c1 ZINC000756732699 1046124425 /nfs/dbraw/zinc/12/44/25/1046124425.db2.gz NIHIWEMHJQFGOS-PIGZYNQJSA-N 0 0 323.795 4.223 20 10 DICDRN C[C@@H]([NH2+][C@H](Cc1ccccc1)C1CC1)c1cc(F)cc(F)c1[O-] ZINC000756739111 1046125941 /nfs/dbraw/zinc/12/59/41/1046125941.db2.gz RYRXOOZSHWBYQN-KZULUSFZSA-N 0 0 317.379 4.342 20 10 DICDRN Cc1ccc([C@H](C)NCc2c(F)c(F)cc(F)c2F)c(O)c1 ZINC000756739547 1046126045 /nfs/dbraw/zinc/12/60/45/1046126045.db2.gz PFLFUARUKGBBNT-VIFPVBQESA-N 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CC(C)CCn1ccc(N[C@H]2C[C@@H](C)c3c2c(O)ccc3F)n1 ZINC000756849559 1046142621 /nfs/dbraw/zinc/14/26/21/1046142621.db2.gz BWAOGSLSFXCPEK-OCCSQVGLSA-N 0 0 317.408 4.434 20 10 DICDRN CSc1ccc(N[C@H]2C[C@H](C)c3c2c(O)ccc3F)nc1 ZINC000756844774 1046142812 /nfs/dbraw/zinc/14/28/12/1046142812.db2.gz MEVVHNSLEFHDBG-CABZTGNLSA-N 0 0 304.390 4.309 20 10 DICDRN C[C@@H](Nc1cc(F)ccc1OC(F)F)c1cc(F)ccc1O ZINC000756850390 1046143640 /nfs/dbraw/zinc/14/36/40/1046143640.db2.gz LVZFROBBMAUWSR-MRVPVSSYSA-N 0 0 315.266 4.445 20 10 DICDRN CC(C)CCn1ccc(N[C@@H](C)c2cc(Cl)ccc2O)n1 ZINC000756851233 1046144396 /nfs/dbraw/zinc/14/43/96/1046144396.db2.gz QJUIOUJMRLJJTJ-LBPRGKRZSA-N 0 0 307.825 4.461 20 10 DICDRN Cc1ccc([C@@H](C)N[C@H](C(=O)OC(C)(C)C)C(C)C)c(O)c1C ZINC000756850946 1046144435 /nfs/dbraw/zinc/14/44/35/1046144435.db2.gz PXJPIZOOVGQQMT-ZBFHGGJFSA-N 0 0 321.461 4.026 20 10 DICDRN C[C@@H](Nc1cc(F)ccc1OC(F)F)c1ccc(F)cc1O ZINC000756850627 1046144591 /nfs/dbraw/zinc/14/45/91/1046144591.db2.gz 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C[C@H]1C[C@H](Nc2cccc(CCCO)c2)c2c1c(F)ccc2O ZINC000757640949 1046198218 /nfs/dbraw/zinc/19/82/18/1046198218.db2.gz VYLLBRHQGLZKCF-LRDDRELGSA-N 0 0 315.388 4.117 20 10 DICDRN COc1ccc([C@@H](C)[NH2+][C@@H](C)c2c([O-])cccc2F)cc1C ZINC000903234771 1046202970 /nfs/dbraw/zinc/20/29/70/1046202970.db2.gz QYJWCRUKYAWDPF-OLZOCXBDSA-N 0 0 303.377 4.260 20 10 DICDRN CN(C)c1ccc(OCc2coc(-c3ccc(F)cc3)n2)cc1 ZINC000757718415 1046207108 /nfs/dbraw/zinc/20/71/08/1046207108.db2.gz SHYWLLONMOJVSN-UHFFFAOYSA-N 0 0 312.344 4.126 20 10 DICDRN N#Cc1cc(NCc2ccc(N3CCCCC3)cc2)ccc1F ZINC000321191648 1046211740 /nfs/dbraw/zinc/21/17/40/1046211740.db2.gz FDFZJWAJHFRNOS-UHFFFAOYSA-N 0 0 309.388 4.300 20 10 DICDRN Cc1cc(C)c([C@H](C)N[C@H]2c3ccccc3OC[C@@H]2F)c(O)c1 ZINC000903273322 1046215007 /nfs/dbraw/zinc/21/50/07/1046215007.db2.gz WRQXYCYNVICNIS-RFUYNDQBSA-N 0 0 315.388 4.131 20 10 DICDRN Cc1ccc([C@H](C)N[C@H]2c3ccccc3OC[C@H]2F)c(O)c1C ZINC000903273401 1046218912 /nfs/dbraw/zinc/21/89/12/1046218912.db2.gz 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4.090 20 10 DICDRN CSc1ccc(N(C)C(=O)/C=C/c2ccc(Cl)nc2)cc1 ZINC000759089662 1046317477 /nfs/dbraw/zinc/31/74/77/1046317477.db2.gz IGABSCJPYMYIAT-ONNFQVAWSA-N 0 0 318.829 4.133 20 10 DICDRN CCC[C@@H](NC(=O)C1=CC(=O)CS1)c1ccc(F)cc1F ZINC000759100137 1046320145 /nfs/dbraw/zinc/32/01/45/1046320145.db2.gz YVLVKSXMJGWJBJ-CYBMUJFWSA-N 0 0 311.353 4.003 20 10 DICDRN CCC(=CC(=O)N(C)Cc1ccc(N(CC)CC)cc1)CC ZINC000759118313 1046321505 /nfs/dbraw/zinc/32/15/05/1046321505.db2.gz SFSLPCMVVXSCCD-UHFFFAOYSA-N 0 0 302.462 4.238 20 10 DICDRN C[C@@H]1CC[C@H](CC(=O)NCc2ccc(N3CCCCC3)cc2)C1 ZINC000759172574 1046328591 /nfs/dbraw/zinc/32/85/91/1046328591.db2.gz WHGXWQYVBDRPSI-AEFFLSMTSA-N 0 0 314.473 4.119 20 10 DICDRN CCC(CC)CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000759172385 1046328948 /nfs/dbraw/zinc/32/89/48/1046328948.db2.gz SRYRBDAURRSPQP-UHFFFAOYSA-N 0 0 302.462 4.119 20 10 DICDRN CC1(C)Nc2ccccc2[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000903948814 1046343853 /nfs/dbraw/zinc/34/38/53/1046343853.db2.gz 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/nfs/dbraw/zinc/37/52/08/1046375208.db2.gz SBQVVTWOGQSYTO-VIFPVBQESA-N 0 0 303.449 4.440 20 10 DICDRN c1csc(SCc2ccc(OCc3cccnc3)cc2)n1 ZINC000748589246 1046384206 /nfs/dbraw/zinc/38/42/06/1046384206.db2.gz LCHJCINHTUMEIH-UHFFFAOYSA-N 0 0 314.435 4.409 20 10 DICDRN CCC[C@@H](C)CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000748620741 1046389876 /nfs/dbraw/zinc/38/98/76/1046389876.db2.gz SUDDYFOBLFYALA-OAHLLOKOSA-N 0 0 302.462 4.070 20 10 DICDRN CCOc1cccc(CN(C)c2ccc(OC)c(Cl)c2)c1O ZINC000780778092 1046405145 /nfs/dbraw/zinc/40/51/45/1046405145.db2.gz AXLHKWKJLSRZSQ-UHFFFAOYSA-N 0 0 321.804 4.089 20 10 DICDRN CO[C@@H]1CC=C(Nc2ccc(Cc3ccc(N)cc3)cc2)CC1 ZINC001212881302 1046427449 /nfs/dbraw/zinc/42/74/49/1046427449.db2.gz FVGQDFRNEROUHC-HXUWFJFHSA-N 0 0 308.425 4.354 20 10 DICDRN COc1ccc(Cl)c(CN(C)Cc2ccc(N(C)C)cc2)c1 ZINC001137265514 1046440802 /nfs/dbraw/zinc/44/08/02/1046440802.db2.gz JCAVBPQPBVRZLB-UHFFFAOYSA-N 0 0 318.848 4.047 20 10 DICDRN CCc1cc(N2CC=C(c3c(C)[nH]c4ccccc43)CC2)ncn1 ZINC000676878367 1046442506 /nfs/dbraw/zinc/44/25/06/1046442506.db2.gz NRQGUIRNKXKGOE-UHFFFAOYSA-N 0 0 318.424 4.122 20 10 DICDRN COc1ccc(N(c2ccc(N)cc2)C2=CC[C@@H](OC)CC2)cc1 ZINC001212883264 1046447757 /nfs/dbraw/zinc/44/77/57/1046447757.db2.gz LGNNXDINNZEAFB-HXUWFJFHSA-N 0 0 324.424 4.498 20 10 DICDRN Cc1cc(C)c(O)c(C[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)c1 ZINC000247054229 1046454872 /nfs/dbraw/zinc/45/48/72/1046454872.db2.gz VIGDKOIIMRCCRR-RHSMWYFYSA-N 0 0 317.454 4.033 20 10 DICDRN O=C(C1=CC(=O)CS1)N1CC=C(c2cccc(Cl)c2)CC1 ZINC000795599029 1046493775 /nfs/dbraw/zinc/49/37/75/1046493775.db2.gz UEEBWCJYBJRHCH-UHFFFAOYSA-N 0 0 319.813 4.037 20 10 DICDRN Cc1cccc(C[N@H+](Cc2c(F)ccc(F)c2[O-])C2CC2)c1C ZINC001139688002 1046498350 /nfs/dbraw/zinc/49/83/50/1046498350.db2.gz VHOWIQZEVDRPKO-UHFFFAOYSA-N 0 0 317.379 4.452 20 10 DICDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001139689652 1046498374 /nfs/dbraw/zinc/49/83/74/1046498374.db2.gz JHBFWATYRODHEK-AWEZNQCLSA-N 0 0 321.342 4.017 20 10 DICDRN CC[N@H+](Cc1ccc(C)c(C)c1)Cc1c(F)ccc(F)c1[O-] ZINC001139687500 1046498793 /nfs/dbraw/zinc/49/87/93/1046498793.db2.gz NNXOVZCVBQIFDS-UHFFFAOYSA-N 0 0 305.368 4.309 20 10 DICDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC001139685679 1046499577 /nfs/dbraw/zinc/49/95/77/1046499577.db2.gz SQTQJBUPFBICCN-QGZVFWFLSA-N 0 0 303.352 4.398 20 10 DICDRN COc1cccc([C@H]2CCC[N@@H+]2Cc2c(F)ccc(F)c2[O-])c1 ZINC001139686005 1046499677 /nfs/dbraw/zinc/49/96/77/1046499677.db2.gz JGYJMDZMSWMTER-QGZVFWFLSA-N 0 0 319.351 4.016 20 10 DICDRN c1cc2c(c(NCc3ccc(N4CCCCC4)cc3)c1)OCO2 ZINC000782381493 1046523885 /nfs/dbraw/zinc/52/38/85/1046523885.db2.gz LNQHAJBPOVOCPN-UHFFFAOYSA-N 0 0 310.397 4.018 20 10 DICDRN C[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000783306641 1046577034 /nfs/dbraw/zinc/57/70/34/1046577034.db2.gz ZUWCFKMARUIIOB-ZJUUUORDSA-N 0 0 302.201 4.042 20 10 DICDRN Oc1ccc(F)cc1C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001140058478 1046577317 /nfs/dbraw/zinc/57/73/17/1046577317.db2.gz CEPQFLUPEHBPRL-ZDUSSCGKSA-N 0 0 305.780 4.174 20 10 DICDRN CCN(C)c1ccc([C@H](C)Nc2ccc(F)c(OC)c2)cc1 ZINC000783306698 1046577762 /nfs/dbraw/zinc/57/77/62/1046577762.db2.gz KRLGXXQIBUAYCV-ZDUSSCGKSA-N 0 0 302.393 4.464 20 10 DICDRN Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1c1cc(F)ccc1F ZINC001140055280 1046578822 /nfs/dbraw/zinc/57/88/22/1046578822.db2.gz PYIGTFZKXJXIOZ-MRXNPFEDSA-N 0 0 307.315 4.147 20 10 DICDRN O[C@H](COc1ccc(N2CCCC2)cc1)c1cc2ccccc2o1 ZINC000834369051 1046609359 /nfs/dbraw/zinc/60/93/59/1046609359.db2.gz RELRFELWFJNAHY-GOSISDBHSA-N 0 0 323.392 4.145 20 10 DICDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(CC(C)C)CCCC1 ZINC001140198809 1046612443 /nfs/dbraw/zinc/61/24/43/1046612443.db2.gz UEWAJCOJFAULBN-UHFFFAOYSA-N 0 0 324.461 4.101 20 10 DICDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)CC1CCCCC1 ZINC001140203548 1046614315 /nfs/dbraw/zinc/61/43/15/1046614315.db2.gz LABMNEAXVONOIC-CQSZACIVSA-N 0 0 324.461 4.101 20 10 DICDRN Cc1cc(C(=O)N[C@H]2CCC2(C)C)c(C)n1-c1ccc(F)cc1 ZINC001140231598 1046621384 /nfs/dbraw/zinc/62/13/84/1046621384.db2.gz QZUYYLUISJPXOD-KRWDZBQOSA-N 0 0 314.404 4.152 20 10 DICDRN Cc1ccncc1/C=C\C(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000783839317 1046635768 /nfs/dbraw/zinc/63/57/68/1046635768.db2.gz HAHZVTLYOFGRDP-LZNQSLFOSA-N 0 0 324.449 4.321 20 10 DICDRN C[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@H](c2ccsc2)O1 ZINC000093768909 1046636295 /nfs/dbraw/zinc/63/62/95/1046636295.db2.gz OIAHXJKFTBITGE-BDJLRTHQSA-N 0 0 323.845 4.069 20 10 DICDRN CCN(C(=O)/C=C\c1cnccc1C)c1ccc(Cl)cc1 ZINC000783876411 1046640874 /nfs/dbraw/zinc/64/08/74/1046640874.db2.gz DFIJVRVFZIVOJR-WTKPLQERSA-N 0 0 300.789 4.110 20 10 DICDRN Cc1ccc(-c2cccnc2)cc1NC(=O)C1=CC(=O)CS1 ZINC000795710260 1046653673 /nfs/dbraw/zinc/65/36/73/1046653673.db2.gz AFWCJWYCFUKPOU-UHFFFAOYSA-N 0 0 310.378 4.076 20 10 DICDRN Cc1ccncc1/C=C\C(=O)N1C[C@H](C)CSc2ccccc21 ZINC000784087810 1046659819 /nfs/dbraw/zinc/65/98/19/1046659819.db2.gz DGEWJPOVBGAVIT-DANTVBBOSA-N 0 0 324.449 4.178 20 10 DICDRN CC(C)Cn1ncc(N[C@@H]2CCc3cccc(O)c32)c1C(F)F ZINC000834755591 1046666525 /nfs/dbraw/zinc/66/65/25/1046666525.db2.gz GPDQUJFOCUAWBX-GFCCVEGCSA-N 0 0 321.371 4.282 20 10 DICDRN C[C@@H]([NH2+]CCCC(C)(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000834817835 1046676416 /nfs/dbraw/zinc/67/64/16/1046676416.db2.gz CLJXWQUTGWCIFO-SECBINFHSA-N 0 0 311.294 4.497 20 10 DICDRN CC[C@@H]([NH2+]CC[C@@H](C)CCO)c1cc(Cl)cc(Cl)c1[O-] ZINC000834830264 1046678141 /nfs/dbraw/zinc/67/81/41/1046678141.db2.gz BCQRXBIWDFJFAL-QMTHXVAHSA-N 0 0 320.260 4.148 20 10 DICDRN C[C@H](Nc1ccccc1OCCF)c1ccc(N(C)C)cc1 ZINC000834845220 1046684433 /nfs/dbraw/zinc/68/44/33/1046684433.db2.gz YGGLLIJEPKGZTJ-AWEZNQCLSA-N 0 0 302.393 4.274 20 10 DICDRN CC[C@@H]([NH2+]CC(C)(C)c1ccccn1)c1cccc(Cl)c1[O-] ZINC000834851052 1046685957 /nfs/dbraw/zinc/68/59/57/1046685957.db2.gz SUWGEUUBSYNXJT-OAHLLOKOSA-N 0 0 318.848 4.459 20 10 DICDRN CC[C@H]([NH2+]CC1=CCOCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000834860020 1046688875 /nfs/dbraw/zinc/68/88/75/1046688875.db2.gz MYDUOBSGWKNTCB-AWEZNQCLSA-N 0 0 316.228 4.086 20 10 DICDRN CC[C@H]([NH2+]CCC(C)(C)CO)c1cc(Cl)cc(Cl)c1[O-] ZINC000834869685 1046690343 /nfs/dbraw/zinc/69/03/43/1046690343.db2.gz CNBCNQUHFZNBKH-ZDUSSCGKSA-N 0 0 320.260 4.148 20 10 DICDRN CC[C@H]([NH2+]CCCc1ncccc1C)c1cccc(Cl)c1[O-] ZINC000834883421 1046696757 /nfs/dbraw/zinc/69/67/57/1046696757.db2.gz LOZMYQGHMALSHT-INIZCTEOSA-N 0 0 318.848 4.423 20 10 DICDRN Cc1ccncc1C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000834886460 1046701496 /nfs/dbraw/zinc/70/14/96/1046701496.db2.gz LVZXJUBFWHYBJB-SNVBAGLBSA-N 0 0 311.212 4.253 20 10 DICDRN CC1(C)C[C@H](c2noc(-c3ccc(-n4cccc4)cc3)n2)CCO1 ZINC000834891568 1046702032 /nfs/dbraw/zinc/70/20/32/1046702032.db2.gz OLPXRXNUPHTAKM-OAHLLOKOSA-N 0 0 323.396 4.200 20 10 DICDRN C[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000834901544 1046711856 /nfs/dbraw/zinc/71/18/56/1046711856.db2.gz BNRDNMIMISYJEZ-GHMZBOCLSA-N 0 0 318.244 4.166 20 10 DICDRN CCCc1ncc(C[NH2+][C@H](CC)c2cccc(Cl)c2[O-])o1 ZINC000834900218 1046712974 /nfs/dbraw/zinc/71/29/74/1046712974.db2.gz NTEYTBOOWXWZQV-CQSZACIVSA-N 0 0 308.809 4.227 20 10 DICDRN C[C@@H]([NH2+][C@H]1CCCN(C)c2ccccc21)c1ccc(F)cc1[O-] ZINC000834901896 1046714340 /nfs/dbraw/zinc/71/43/40/1046714340.db2.gz BALJRHPVOQTDCX-DYVFJYSZSA-N 0 0 314.404 4.153 20 10 DICDRN CC[C@H]([NH2+][C@H](C)c1ccc(OC)c(F)c1)c1ccc(F)cc1[O-] ZINC000796675974 1046715960 /nfs/dbraw/zinc/71/59/60/1046715960.db2.gz OLYNVVOHQYCMQU-BZNIZROVSA-N 0 0 321.367 4.481 20 10 DICDRN COc1cccc([C@H]2C[C@H]([NH2+][C@@H](C)c3ccc(F)cc3[O-])C2)c1 ZINC000834905663 1046716585 /nfs/dbraw/zinc/71/65/85/1046716585.db2.gz VHVAWYZOLUJTPR-NOLJZWGESA-N 0 0 315.388 4.137 20 10 DICDRN C[C@H]([NH2+]CCC[C@@H]1CCOC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000834904140 1046716656 /nfs/dbraw/zinc/71/66/56/1046716656.db2.gz NEZWNMIXNXIWFC-WDEREUQCSA-N 0 0 318.244 4.166 20 10 DICDRN CCOc1ccc(C[NH2+][C@@H](CC)c2ccc(F)cc2[O-])cc1 ZINC000796702847 1046721350 /nfs/dbraw/zinc/72/13/50/1046721350.db2.gz CWQZCEJUWXBCEC-KRWDZBQOSA-N 0 0 303.377 4.171 20 10 DICDRN CC[C@H]([NH2+]CCCCc1nc(C)cs1)c1ccc(F)cc1[O-] ZINC000796744919 1046724691 /nfs/dbraw/zinc/72/46/91/1046724691.db2.gz SJPWAVXNBSHUMU-HNNXBMFYSA-N 0 0 322.449 4.360 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc(Cl)cc1OC)c1ccc(F)cc1[O-] ZINC000796757867 1046729281 /nfs/dbraw/zinc/72/92/81/1046729281.db2.gz ATPFPKQVWDAKPB-HNNXBMFYSA-N 0 0 323.795 4.434 20 10 DICDRN CC[C@@H]([NH2+]CC1(CCOC)CCCC1)c1ccc(F)cc1[O-] ZINC000796798300 1046734754 /nfs/dbraw/zinc/73/47/54/1046734754.db2.gz ZFBPBTGJPRNGGE-MRXNPFEDSA-N 0 0 309.425 4.169 20 10 DICDRN C[N@H+](Cc1ccc(Cl)cc1[O-])C12CC3CC(CC(C3)C1)C2 ZINC001140467228 1046737942 /nfs/dbraw/zinc/73/79/42/1046737942.db2.gz QOAQYRWEOHDPGS-UHFFFAOYSA-N 0 0 305.849 4.446 20 10 DICDRN CC[C@H]([NH2+][C@@H]1COc2c1ccc(C)c2C)c1ccc(F)cc1[O-] ZINC000796821531 1046741451 /nfs/dbraw/zinc/74/14/51/1046741451.db2.gz VLGQLKAWBPVQET-DLBZAZTESA-N 0 0 315.388 4.323 20 10 DICDRN CC[C@H]([NH2+][C@@H]1COc2c1cccc2Cl)c1ccc(F)cc1[O-] ZINC000796834927 1046741943 /nfs/dbraw/zinc/74/19/43/1046741943.db2.gz OLQYKANUASVFMD-LSDHHAIUSA-N 0 0 321.779 4.359 20 10 DICDRN C[C@H]1C[N@H+](Cc2c(O)ccc3ccncc32)Cc2ccccc21 ZINC000835024263 1046743168 /nfs/dbraw/zinc/74/31/68/1046743168.db2.gz ISBHVFCVFOCPTO-AWEZNQCLSA-N 0 0 304.393 4.060 20 10 DICDRN CC(=O)Nc1ccc(C)c(NC/C=C/c2ccc(N(C)C)cc2)c1 ZINC000835027610 1046743219 /nfs/dbraw/zinc/74/32/19/1046743219.db2.gz BPOHBWCKMNQYHY-AATRIKPKSA-N 0 0 323.440 4.145 20 10 DICDRN CC[C@@H]([NH2+]C1CCC(OC(C)C)CC1)c1ccc(F)cc1[O-] ZINC000796840129 1046745191 /nfs/dbraw/zinc/74/51/91/1046745191.db2.gz KUZPQHTWHNFYFB-VMBOVVBDSA-N 0 0 309.425 4.308 20 10 DICDRN CC[C@H]([NH2+][C@@H](CC)c1ccc(F)cc1[O-])c1c(C)noc1C ZINC000796847934 1046745507 /nfs/dbraw/zinc/74/55/07/1046745507.db2.gz VRFIQEATWJBBDG-GJZGRUSLSA-N 0 0 306.381 4.328 20 10 DICDRN Cc1cccc([C@H]2CCC[N@H+]2C/C=C\c2ccc(N(C)C)cc2)n1 ZINC000835030678 1046745354 /nfs/dbraw/zinc/74/53/54/1046745354.db2.gz YIWHHZMSAZPJMC-HUCIYCNJSA-N 0 0 321.468 4.306 20 10 DICDRN CN(C)c1ccc(/C=C/CN2CC(C)(C)[C@@H]2c2ccncc2)cc1 ZINC000835055762 1046750635 /nfs/dbraw/zinc/75/06/35/1046750635.db2.gz OJCWZQYSMGBGFV-XJDXJNMNSA-N 0 0 321.468 4.244 20 10 DICDRN CN(C)c1ccc(/C=C/CN2CC(C)(C)[C@H]2c2cccnc2)cc1 ZINC000835056671 1046751608 /nfs/dbraw/zinc/75/16/08/1046751608.db2.gz WOININNDWJDCKJ-ROUKRRSUSA-N 0 0 321.468 4.244 20 10 DICDRN CC[C@H](Nc1cc(OC)cc(OC)c1)c1ccc(F)cc1O ZINC000796901665 1046754615 /nfs/dbraw/zinc/75/46/15/1046754615.db2.gz YEDSGGIRDZGQDG-INIZCTEOSA-N 0 0 305.349 4.112 20 10 DICDRN CC[C@H](Nc1ccc(NC(C)=O)cc1)c1ccc(F)cc1O ZINC000796898221 1046755733 /nfs/dbraw/zinc/75/57/33/1046755733.db2.gz NRLIKQDGXQMKQP-INIZCTEOSA-N 0 0 302.349 4.053 20 10 DICDRN CC[C@@H]([NH2+]CCC1CCC(OC)CC1)c1ccc(F)cc1[O-] ZINC000796938005 1046760157 /nfs/dbraw/zinc/76/01/57/1046760157.db2.gz UKZPAWJIJFSTPN-PUJMQQBBSA-N 0 0 309.425 4.167 20 10 DICDRN CC[C@H](Nc1ccc2c(c1)C[C@@H](OC)C2)c1ccc(F)cc1O ZINC000796938142 1046760846 /nfs/dbraw/zinc/76/08/46/1046760846.db2.gz WQJZWVWEBZBNBF-WMZOPIPTSA-N 0 0 315.388 4.208 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CSc2ccccc21)c1ccc(F)cc1[O-] ZINC000796780439 1046762295 /nfs/dbraw/zinc/76/22/95/1046762295.db2.gz RIQSSNSIZCYGAX-LSDHHAIUSA-N 0 0 303.402 4.419 20 10 DICDRN CC[C@@H](Nc1cnn([C@H](C)C2CC2)c1)c1ccc(F)cc1O ZINC000796955219 1046762572 /nfs/dbraw/zinc/76/25/72/1046762572.db2.gz VHTNPXSDKIKRRW-BDJLRTHQSA-N 0 0 303.381 4.262 20 10 DICDRN CC[C@H](Nc1cnn([C@H](C)C2CC2)c1)c1ccc(F)cc1O ZINC000796955223 1046763548 /nfs/dbraw/zinc/76/35/48/1046763548.db2.gz VHTNPXSDKIKRRW-BZNIZROVSA-N 0 0 303.381 4.262 20 10 DICDRN CC[C@H](Nc1ccc(OC(F)F)nc1)c1ccc(F)cc1O ZINC000796995223 1046768999 /nfs/dbraw/zinc/76/89/99/1046768999.db2.gz YLZVCKQTZXEMSC-LBPRGKRZSA-N 0 0 312.291 4.091 20 10 DICDRN C[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000797067254 1046785306 /nfs/dbraw/zinc/78/53/06/1046785306.db2.gz YJOKTLUJONOELD-DKCNOQQISA-N 0 0 306.258 4.101 20 10 DICDRN c1cc(C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)co1 ZINC000796275113 1046823468 /nfs/dbraw/zinc/82/34/68/1046823468.db2.gz FKZCIWQBQOFKIW-UHFFFAOYSA-N 0 0 318.420 4.132 20 10 DICDRN COc1ccc(CN[C@@H](c2ccco2)c2ccccc2)cc1C ZINC000237359165 1046866477 /nfs/dbraw/zinc/86/64/77/1046866477.db2.gz MMXAVDBRZJJCBK-HXUWFJFHSA-N 0 0 307.393 4.476 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1[C@@H](C)[C@@H]1c1ccccc1 ZINC000797737485 1046879475 /nfs/dbraw/zinc/87/94/75/1046879475.db2.gz BPPNXFBKNICTFB-CWFSZBLJSA-N 0 0 323.436 4.181 20 10 DICDRN COC(=O)Nc1cccc(NCc2cc(C)c(C)cc2O)c1C ZINC000797881754 1046902841 /nfs/dbraw/zinc/90/28/41/1046902841.db2.gz KQTADZIJZAYJMR-UHFFFAOYSA-N 0 0 314.385 4.108 20 10 DICDRN C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2F)C1)c1cc(F)cc(F)c1[O-] ZINC000797997196 1046918235 /nfs/dbraw/zinc/91/82/35/1046918235.db2.gz RIMVMTBKFCAGMG-GVXVVHGQSA-N 0 0 321.342 4.406 20 10 DICDRN CSc1ccc(CC[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000798086247 1046927500 /nfs/dbraw/zinc/92/75/00/1046927500.db2.gz ISZATBIQWRGFKL-UHFFFAOYSA-N 0 0 307.846 4.100 20 10 DICDRN CC[C@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])[C@@H]1CCCO1 ZINC000798181944 1046934709 /nfs/dbraw/zinc/93/47/09/1046934709.db2.gz OOVXWRYRFXUVQW-SWHYSGLUSA-N 0 0 317.351 4.019 20 10 DICDRN CC[C@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])[C@H]1CCCO1 ZINC000798181942 1046934644 /nfs/dbraw/zinc/93/46/44/1046934644.db2.gz OOVXWRYRFXUVQW-DDTOSNHZSA-N 0 0 317.351 4.019 20 10 DICDRN COc1ccccc1C(=O)Nc1cccc(N2CCC(C)CC2)c1 ZINC000303757006 1046959105 /nfs/dbraw/zinc/95/91/05/1046959105.db2.gz DEDGNGDAEVJDBG-UHFFFAOYSA-N 0 0 324.424 4.184 20 10 DICDRN Cc1ccc(CN2CC[C@H](c3ccccc3)C(F)(F)C2)c(O)c1 ZINC001140954349 1046959627 /nfs/dbraw/zinc/95/96/27/1046959627.db2.gz QYWWREURGRFMTQ-QGZVFWFLSA-N 0 0 317.379 4.325 20 10 DICDRN CN(C)c1ccc(CN(C)C(=O)c2cccc(C3CCC3)c2)cc1 ZINC000798850923 1046976313 /nfs/dbraw/zinc/97/63/13/1046976313.db2.gz XXMNIRCRSLSDGW-UHFFFAOYSA-N 0 0 322.452 4.292 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)C1=CCC(C)(C)CC1 ZINC000836762047 1046987184 /nfs/dbraw/zinc/98/71/84/1046987184.db2.gz KBCBTDAAAYYCMJ-UHFFFAOYSA-N 0 0 301.430 4.267 20 10 DICDRN CN(C)c1ccc(CN(Cc2csc(Cl)n2)C2CC2)cc1 ZINC000827442976 1046991236 /nfs/dbraw/zinc/99/12/36/1046991236.db2.gz WAMUIYLFUQDNHX-UHFFFAOYSA-N 0 0 321.877 4.027 20 10 DICDRN Cc1cc(NCc2cc3c(cc2O)OCO3)cc(C)c1Cl ZINC000799352428 1047022372 /nfs/dbraw/zinc/02/23/72/1047022372.db2.gz UJXYEOHZORYWMK-UHFFFAOYSA-N 0 0 305.761 4.003 20 10 DICDRN CCN(C(=O)/C=C/c1scnc1C)c1ccc(Cl)cc1F ZINC000799410512 1047028798 /nfs/dbraw/zinc/02/87/98/1047028798.db2.gz RYYPQIJCNFLWIM-VOTSOKGWSA-N 0 0 324.808 4.310 20 10 DICDRN Cc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc(C)c1Cl ZINC000799822446 1047061381 /nfs/dbraw/zinc/06/13/81/1047061381.db2.gz FGKWIJOCQPDSCF-XQRVVYSFSA-N 0 0 317.772 4.020 20 10 DICDRN C[C@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C1CCC1 ZINC000837320725 1047070157 /nfs/dbraw/zinc/07/01/57/1047070157.db2.gz KXPLQABNIDVQEW-INIZCTEOSA-N 0 0 314.473 4.072 20 10 DICDRN CCc1cccc(NC(=S)NCc2cc(C)cc(Cl)n2)c1 ZINC000799899423 1047073277 /nfs/dbraw/zinc/07/32/77/1047073277.db2.gz SUGFZDFNJUJHIJ-UHFFFAOYSA-N 0 0 319.861 4.092 20 10 DICDRN CCCCc1nnc(NCc2ccc(N3CCCC3)cc2)s1 ZINC001116496710 1047150169 /nfs/dbraw/zinc/15/01/69/1047150169.db2.gz PWQOWFGOGPPQSI-UHFFFAOYSA-N 0 0 316.474 4.093 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C1CCC(C(F)F)CC1 ZINC000839180437 1047201767 /nfs/dbraw/zinc/20/17/67/1047201767.db2.gz VHIINHGNMPLNEA-UHFFFAOYSA-N 0 0 307.743 4.098 20 10 DICDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCC[C@H](C)F)c1 ZINC001117806222 1047246318 /nfs/dbraw/zinc/24/63/18/1047246318.db2.gz XZJWCNRXZTWZOQ-NSHDSACASA-N 0 0 322.811 4.225 20 10 DICDRN C[C@@H](NC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)c1ccc(N(C)C)cc1 ZINC000839728585 1047260494 /nfs/dbraw/zinc/26/04/94/1047260494.db2.gz MILCNMDVTPDJJF-VMRPVKRXSA-N 0 0 322.452 4.124 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1-c1nnc(-c2ccccn2)o1 ZINC001118128784 1047263443 /nfs/dbraw/zinc/26/34/43/1047263443.db2.gz IRVUJXKTICNBBG-UHFFFAOYSA-N 0 0 322.393 4.268 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C)cc1-c1nnc([C@H]2CCCO2)o1 ZINC001118142673 1047271627 /nfs/dbraw/zinc/27/16/27/1047271627.db2.gz SXWWJAVGTFRFAO-QGZVFWFLSA-N 0 0 323.396 4.304 20 10 DICDRN Oc1ccc(Cl)cc1C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000527770816 1047281341 /nfs/dbraw/zinc/28/13/41/1047281341.db2.gz GWRFRZSNEVZQGR-KRWDZBQOSA-N 0 0 302.805 4.072 20 10 DICDRN C[C@H](CC(=O)N[C@H](C)c1ccccc1O)c1c[nH]c2ccccc21 ZINC000827946889 1047281388 /nfs/dbraw/zinc/28/13/88/1047281388.db2.gz UGBKFVFPYDNJEX-ZIAGYGMSSA-N 0 0 322.408 4.245 20 10 DICDRN CC[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccccc1OC ZINC000387664711 1047285317 /nfs/dbraw/zinc/28/53/17/1047285317.db2.gz BFILFZSBKVKONP-WBMJQRKESA-N 0 0 303.377 4.342 20 10 DICDRN C[C@@H](Nc1cc2c(cc1Cl)OCCO2)c1ccc(F)cc1O ZINC000387750824 1047285895 /nfs/dbraw/zinc/28/58/95/1047285895.db2.gz AZSZMHZJCSMWDU-SECBINFHSA-N 0 0 323.751 4.129 20 10 DICDRN [O-]c1cc(F)c(F)cc1C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC001142520312 1047292845 /nfs/dbraw/zinc/29/28/45/1047292845.db2.gz FUOWGAGVQIADBL-UHFFFAOYSA-N 0 0 321.342 4.189 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCCC1(F)F ZINC000390690853 1047298843 /nfs/dbraw/zinc/29/88/43/1047298843.db2.gz AJLPORSWKWJRFZ-SECBINFHSA-N 0 0 310.171 4.224 20 10 DICDRN C[C@H](Nc1ccc(N2CCCCC2)nc1)c1ccc(F)cc1O ZINC000391038239 1047302468 /nfs/dbraw/zinc/30/24/68/1047302468.db2.gz PWXJLHCYXQHDOF-ZDUSSCGKSA-N 0 0 315.392 4.090 20 10 DICDRN C/C(=C\c1cccnc1)C(=O)N1CC2(CCCC2)c2ccccc21 ZINC001126786176 1047313891 /nfs/dbraw/zinc/31/38/91/1047313891.db2.gz QGVRTKZRNOSJBZ-DTQAZKPQSA-N 0 0 318.420 4.344 20 10 DICDRN Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000898071505 1047315115 /nfs/dbraw/zinc/31/51/15/1047315115.db2.gz MLZWJHIWXIIOGC-AWEZNQCLSA-N 0 0 324.449 4.067 20 10 DICDRN Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000898071506 1047315473 /nfs/dbraw/zinc/31/54/73/1047315473.db2.gz MLZWJHIWXIIOGC-CQSZACIVSA-N 0 0 324.449 4.067 20 10 DICDRN FC(F)c1ccc(NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000395341355 1047323647 /nfs/dbraw/zinc/32/36/47/1047323647.db2.gz YEIPLNYHAMNMBF-UHFFFAOYSA-N 0 0 318.367 4.073 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000898218213 1047324374 /nfs/dbraw/zinc/32/43/74/1047324374.db2.gz AVYQVKMPWIUUMS-CZUORRHYSA-N 0 0 316.832 4.257 20 10 DICDRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)o1 ZINC000209388052 1047327480 /nfs/dbraw/zinc/32/74/80/1047327480.db2.gz FNXCSDORAHOOIY-NTEUORMPSA-N 0 0 315.419 4.302 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)C2CCCCCC2)cc1 ZINC000726138457 1047335920 /nfs/dbraw/zinc/33/59/20/1047335920.db2.gz OYWVRNCJYMYVGL-UHFFFAOYSA-N 0 0 316.489 4.462 20 10 DICDRN CC1(C)CC[C@H](NC(=O)NCc2ccccc2O)c2ccccc21 ZINC000726249212 1047342157 /nfs/dbraw/zinc/34/21/57/1047342157.db2.gz GBTOQJVWKAKQAZ-KRWDZBQOSA-N 0 0 324.424 4.004 20 10 DICDRN CC[C@H]([NH2+][C@H](C)[C@@](C)(OC)C1CC1)c1cccc(Cl)c1[O-] ZINC000840859202 1047347070 /nfs/dbraw/zinc/34/70/70/1047347070.db2.gz JANIOOHAJBGBKC-XQAQDONZSA-N 0 0 311.853 4.290 20 10 DICDRN CC[C@H]([NH2+]C1CCC(COC)CC1)c1cccc(Cl)c1[O-] ZINC000840876962 1047350644 /nfs/dbraw/zinc/35/06/44/1047350644.db2.gz VBECHQBRASROPR-ZUEPYMLJSA-N 0 0 311.853 4.292 20 10 DICDRN CC[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])CC(F)(F)F ZINC000840877150 1047351279 /nfs/dbraw/zinc/35/12/79/1047351279.db2.gz UPKFVNILZOMCKY-DTWKUNHWSA-N 0 0 311.294 4.300 20 10 DICDRN CC[C@@H]([NH2+]C1CCC(COC)CC1)c1cccc(Cl)c1[O-] ZINC000840876961 1047351448 /nfs/dbraw/zinc/35/14/48/1047351448.db2.gz VBECHQBRASROPR-SEEARECTSA-N 0 0 311.853 4.292 20 10 DICDRN Cc1cc(C)c([C@H](C)Nc2cccc([C@@H]3CCC(=O)N3)c2)c(O)c1 ZINC000840884409 1047353878 /nfs/dbraw/zinc/35/38/78/1047353878.db2.gz MCUIDWOJSPIURB-YOEHRIQHSA-N 0 0 324.424 4.133 20 10 DICDRN Cc1ccc([C@@H](C)Nc2cccc([C@H]3CCC(=O)N3)c2)c(O)c1C ZINC000840883269 1047353954 /nfs/dbraw/zinc/35/39/54/1047353954.db2.gz FJHHWOWEMCRLPK-RDTXWAMCSA-N 0 0 324.424 4.133 20 10 DICDRN COc1ccc(N(CCC(C)C)Cc2nc(C)c(C)o2)cc1 ZINC000796505852 1047358030 /nfs/dbraw/zinc/35/80/30/1047358030.db2.gz UEKHSRSWGVHXBZ-UHFFFAOYSA-N 0 0 302.418 4.353 20 10 DICDRN Cc1cc(N(C)C)ccc1CNc1cccc(NC(=O)C2CC2)c1 ZINC000840908808 1047358771 /nfs/dbraw/zinc/35/87/71/1047358771.db2.gz XZEHOOQLQDMRGI-UHFFFAOYSA-N 0 0 323.440 4.022 20 10 DICDRN CCc1cnc(CN(C)Cc2c(O)cc(C)cc2Cl)s1 ZINC000840916410 1047358943 /nfs/dbraw/zinc/35/89/43/1047358943.db2.gz IUSJNNJNXRNCKK-UHFFFAOYSA-N 0 0 310.850 4.005 20 10 DICDRN Cc1cc(O)c(CN(C)Cc2ccc(Cl)nc2)c(Cl)c1 ZINC000840909335 1047359309 /nfs/dbraw/zinc/35/93/09/1047359309.db2.gz HIBPUQZWCVFMDG-UHFFFAOYSA-N 0 0 311.212 4.034 20 10 DICDRN CCc1nc(CN(C)Cc2c(O)cc(C)cc2Cl)cs1 ZINC000840912261 1047359438 /nfs/dbraw/zinc/35/94/38/1047359438.db2.gz KLYJABLQZUHPNQ-UHFFFAOYSA-N 0 0 310.850 4.005 20 10 DICDRN Cc1cc(N(C)C)ccc1CNc1ccc(N2CCCC2)cc1 ZINC000840921152 1047361302 /nfs/dbraw/zinc/36/13/02/1047361302.db2.gz URVSISSVYFUIQX-UHFFFAOYSA-N 0 0 309.457 4.273 20 10 DICDRN CC(C)(C)c1ccncc1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000840959956 1047365094 /nfs/dbraw/zinc/36/50/94/1047365094.db2.gz ZBWMVMDCORAWAG-UHFFFAOYSA-N 0 0 322.811 4.167 20 10 DICDRN COc1cc(Cl)cc(CNc2ccc3c(c2)CCCN3)c1O ZINC000841037573 1047373930 /nfs/dbraw/zinc/37/39/30/1047373930.db2.gz VQKQNELMAYFSTG-UHFFFAOYSA-N 0 0 318.804 4.024 20 10 DICDRN Cn1ccc2c1cccc2C(=O)Nc1cccc(N2CCCC2)c1 ZINC000726937847 1047393892 /nfs/dbraw/zinc/39/38/92/1047393892.db2.gz XSDJUOAJDWEXAD-UHFFFAOYSA-N 0 0 319.408 4.031 20 10 DICDRN Nc1ccc(NC(=O)N2CCCC[C@@H]2CCc2ccccc2)cc1 ZINC000841295871 1047398956 /nfs/dbraw/zinc/39/89/56/1047398956.db2.gz HSKWEZKEUGONPO-LJQANCHMSA-N 0 0 323.440 4.288 20 10 DICDRN Nc1ccc(NC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000841298399 1047400299 /nfs/dbraw/zinc/40/02/99/1047400299.db2.gz CJHGAWBCUZYAGQ-OTWHNJEPSA-N 0 0 321.424 4.069 20 10 DICDRN Nc1ccc(NC(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cc1 ZINC000841298397 1047400543 /nfs/dbraw/zinc/40/05/43/1047400543.db2.gz CJHGAWBCUZYAGQ-GUDVDZBRSA-N 0 0 321.424 4.069 20 10 DICDRN Nc1ccc(NC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC000841298398 1047400566 /nfs/dbraw/zinc/40/05/66/1047400566.db2.gz CJHGAWBCUZYAGQ-IPMKNSEASA-N 0 0 321.424 4.069 20 10 DICDRN Nc1ccc(NC(=O)NC[C@@H]2CCCC[C@@H]2c2ccccc2)cc1 ZINC000841298131 1047400703 /nfs/dbraw/zinc/40/07/03/1047400703.db2.gz MKRZYNMJQUPULD-QFBILLFUSA-N 0 0 323.440 4.364 20 10 DICDRN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(N)cc1 ZINC000841300149 1047400750 /nfs/dbraw/zinc/40/07/50/1047400750.db2.gz OOZCZXFVIAZFRA-RBUKOAKNSA-N 0 0 323.440 4.459 20 10 DICDRN C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccc(N)cc2)C1 ZINC000841299781 1047401339 /nfs/dbraw/zinc/40/13/39/1047401339.db2.gz JRJZBXDQEAWUAM-SJKOYZFVSA-N 0 0 313.376 4.023 20 10 DICDRN CCC(CC)(CNC(=O)Nc1ccc(N)cc1)c1ccccc1 ZINC000841300398 1047401353 /nfs/dbraw/zinc/40/13/53/1047401353.db2.gz REWTYJYCUFAFLV-UHFFFAOYSA-N 0 0 311.429 4.148 20 10 DICDRN C[C@H](CC(C)(C)c1ccccc1)NC(=O)Nc1ccc(N)cc1 ZINC000841301718 1047401360 /nfs/dbraw/zinc/40/13/60/1047401360.db2.gz WZPMBQGNJOANNT-CQSZACIVSA-N 0 0 311.429 4.147 20 10 DICDRN CC(C)(C)[C@@H](NC(=O)Nc1ccc(N)cc1)c1ccc(F)cc1 ZINC000841301177 1047401448 /nfs/dbraw/zinc/40/14/48/1047401448.db2.gz FAKOOGLLINNUIN-INIZCTEOSA-N 0 0 315.392 4.317 20 10 DICDRN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)Nc1ccc(N)cc1 ZINC000841299486 1047401537 /nfs/dbraw/zinc/40/15/37/1047401537.db2.gz LFFAINRFIWMBRP-LBTNJELSSA-N 0 0 309.413 4.067 20 10 DICDRN Cc1cccc(C2(NC(=O)Nc3ccc(N)cc3)CCCC2)c1 ZINC000841300468 1047401913 /nfs/dbraw/zinc/40/19/13/1047401913.db2.gz PRPXQTCFLMEXRY-UHFFFAOYSA-N 0 0 309.413 4.168 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)CCC2CCC2)cc1 ZINC000749316710 1047409088 /nfs/dbraw/zinc/40/90/88/1047409088.db2.gz BOPKSHNTSDYWTD-UHFFFAOYSA-N 0 0 302.462 4.072 20 10 DICDRN CN(C)c1ccc(CNc2ccc(Br)cc2)cc1 ZINC000008701770 1047426827 /nfs/dbraw/zinc/42/68/27/1047426827.db2.gz NQGYVSJUKYWDKJ-UHFFFAOYSA-N 0 0 305.219 4.127 20 10 DICDRN Clc1cc(Cl)c2nc(CSc3nccs3)cn2c1 ZINC000749455479 1047419233 /nfs/dbraw/zinc/41/92/33/1047419233.db2.gz APODTOWTEAAAOX-UHFFFAOYSA-N 0 0 316.238 4.390 20 10 DICDRN Cc1cc(N(C)C)ccc1CNC(=O)CC[C@@H](C)c1ccccc1 ZINC000749839710 1047440199 /nfs/dbraw/zinc/44/01/99/1047440199.db2.gz ICNCRSIUYUDBJC-MRXNPFEDSA-N 0 0 324.468 4.261 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(C)CCCCCC1 ZINC001142409999 1047441517 /nfs/dbraw/zinc/44/15/17/1047441517.db2.gz BGGSPNQRTCZBAP-UHFFFAOYSA-N 0 0 316.489 4.462 20 10 DICDRN C/C(=C/C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)C(C)(C)C ZINC001142418304 1047443148 /nfs/dbraw/zinc/44/31/48/1047443148.db2.gz CNLJBXIDNDFKLS-RTYFKUQISA-N 0 0 316.489 4.101 20 10 DICDRN C[C@@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1ccc(Cl)cc1O ZINC000841748212 1047448115 /nfs/dbraw/zinc/44/81/15/1047448115.db2.gz IICPRGQOJHJGBA-PIGZYNQJSA-N 0 0 302.805 4.243 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)c1cccc([N+](=O)[O-])c1 ZINC000841746468 1047448153 /nfs/dbraw/zinc/44/81/53/1047448153.db2.gz ZMOSZKJULHOLQW-MNOVXSKESA-N 0 0 320.776 4.366 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)c1ccc(Cl)cc1[O-] ZINC000841748744 1047450583 /nfs/dbraw/zinc/45/05/83/1047450583.db2.gz YJBPQKSAIHOARD-NWDGAFQWSA-N 0 0 305.805 4.033 20 10 DICDRN CC(C)C[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2[O-])CCO1 ZINC000841753166 1047451323 /nfs/dbraw/zinc/45/13/23/1047451323.db2.gz KKMOSSMWMGCDHW-BPLDGKMQSA-N 0 0 311.853 4.290 20 10 DICDRN CC(=O)c1cc(Cl)cc(C[NH2+]C(C)(C)c2ccccc2)c1[O-] ZINC000750044660 1047454567 /nfs/dbraw/zinc/45/45/67/1047454567.db2.gz ZIJQHQRZKLLKNN-UHFFFAOYSA-N 0 0 317.816 4.273 20 10 DICDRN CC(=O)c1cc(Cl)cc(CN2CC[C@H]2c2ccccc2)c1O ZINC000750046318 1047454741 /nfs/dbraw/zinc/45/47/41/1047454741.db2.gz YJUSQEHPDBQWAF-KRWDZBQOSA-N 0 0 315.800 4.195 20 10 DICDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC001142524751 1047465163 /nfs/dbraw/zinc/46/51/63/1047465163.db2.gz JAZIZDIBFPAHAE-NSHDSACASA-N 0 0 323.770 4.313 20 10 DICDRN Cc1cc(C(=O)N[C@H]2CC23CC3)c(C)n1-c1ccc(C(C)C)cc1 ZINC001142752822 1047490047 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[O-]c1c(Cl)cccc1C[NH2+]C1(c2ccccc2Cl)CC1 ZINC000843418758 1047548116 /nfs/dbraw/zinc/54/81/16/1047548116.db2.gz KHDWXZQKSQARMG-UHFFFAOYSA-N 0 0 308.208 4.478 20 10 DICDRN Oc1cc(F)c(Cl)cc1CNc1cncc2c1CCCC2 ZINC001206635490 1047582817 /nfs/dbraw/zinc/58/28/17/1047582817.db2.gz CHXHFYMBFZKLEU-UHFFFAOYSA-N 0 0 306.768 4.071 20 10 DICDRN CCCCCC[C@H](C)CC(=O)NCc1cccc(OC)c1O ZINC000729859572 1047589032 /nfs/dbraw/zinc/58/90/32/1047589032.db2.gz ROKHGJPWDYSOOE-AWEZNQCLSA-N 0 0 307.434 4.014 20 10 DICDRN Cc1cc(C)c(/C=C\C(=O)N[C@H](C)c2ccccc2O)cc1C ZINC001151885736 1047603647 /nfs/dbraw/zinc/60/36/47/1047603647.db2.gz FFMCNNXRGUQSAN-ZBTGYSDGSA-N 0 0 309.409 4.208 20 10 DICDRN CC[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000926951794 1047635817 /nfs/dbraw/zinc/63/58/17/1047635817.db2.gz XHVBWURFZCDLAU-XRNSZHNASA-N 0 0 307.743 4.285 20 10 DICDRN CN(C)c1ccc(OCc2ncc(-c3cccc(F)c3)o2)cc1 ZINC000757717354 1047661222 /nfs/dbraw/zinc/66/12/22/1047661222.db2.gz FYLHRVQMKGHRKP-UHFFFAOYSA-N 0 0 312.344 4.126 20 10 DICDRN CCN(Cc1ccccc1O)c1ccc(-c2ccc(F)cc2)nn1 ZINC001154890517 1047661506 /nfs/dbraw/zinc/66/15/06/1047661506.db2.gz AAZUQNRJFFBTGH-UHFFFAOYSA-N 0 0 323.371 4.015 20 10 DICDRN CCN(Cc1ccccc1O)c1ccc(-c2cccc(F)c2)nn1 ZINC001154890647 1047661659 /nfs/dbraw/zinc/66/16/59/1047661659.db2.gz IAQCNEWQMTVZDG-UHFFFAOYSA-N 0 0 323.371 4.015 20 10 DICDRN CC1=C(C)C[C@H](C(=O)NCc2c(O)ccc3ccccc32)CC1 ZINC001157051374 1047733651 /nfs/dbraw/zinc/73/36/51/1047733651.db2.gz UQMCPMMZAXEWEF-MRXNPFEDSA-N 0 0 309.409 4.298 20 10 DICDRN CC1(C)C(C)(C)C1(C)C(=O)NCc1c(O)ccc2ccccc21 ZINC001157051341 1047733732 /nfs/dbraw/zinc/73/37/32/1047733732.db2.gz SDSYEIPHPCHTTM-UHFFFAOYSA-N 0 0 311.425 4.234 20 10 DICDRN C[C@@H]1CC[C@@H](C(=O)NCc2c(O)ccc3ccccc32)C[C@H]1C ZINC001157041542 1047733738 /nfs/dbraw/zinc/73/37/38/1047733738.db2.gz ISYAIWWTWODNBZ-IIAWOOMASA-N 0 0 311.425 4.234 20 10 DICDRN Oc1c(CNc2cc(Cl)ccn2)cc(Cl)c2cccnc12 ZINC001157724855 1047750724 /nfs/dbraw/zinc/75/07/24/1047750724.db2.gz WNBAQHURSJJJQN-UHFFFAOYSA-N 0 0 320.179 4.254 20 10 DICDRN CCCN(C(=O)c1ccc(C)c(O)c1O)c1ccc(CC)cc1 ZINC001158547050 1047789151 /nfs/dbraw/zinc/78/91/51/1047789151.db2.gz VFXDJSHVUUJUOK-UHFFFAOYSA-N 0 0 313.397 4.025 20 10 DICDRN Cc1cc(NCc2ccc(O)c(O)c2)nc2cc(Cl)ccc12 ZINC001158995740 1047807204 /nfs/dbraw/zinc/80/72/04/1047807204.db2.gz NFODIJCZKGWDCW-UHFFFAOYSA-N 0 0 314.772 4.220 20 10 DICDRN Cc1c(Cl)ccc2ccc(NCc3ccc(O)c(O)c3)nc12 ZINC001158997914 1047807925 /nfs/dbraw/zinc/80/79/25/1047807925.db2.gz UNHNMGRJSXGXJI-UHFFFAOYSA-N 0 0 314.772 4.220 20 10 DICDRN Oc1ccc(CNc2nc(Cl)cc3cccc(F)c32)cc1O ZINC001159004722 1047808299 /nfs/dbraw/zinc/80/82/99/1047808299.db2.gz IAHFWFQLKDPNEE-UHFFFAOYSA-N 0 0 318.735 4.051 20 10 DICDRN CC(C)(C)c1cc(Nc2ccc(N)cc2)n(-c2ccccc2)n1 ZINC001159123397 1047814898 /nfs/dbraw/zinc/81/48/98/1047814898.db2.gz AMPHQDJIVRUSDB-UHFFFAOYSA-N 0 0 306.413 4.496 20 10 DICDRN Nc1ccc(N(c2cnn(CC3CC3)c2)c2ccccc2)cc1 ZINC001174470005 1047845911 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1047941443 /nfs/dbraw/zinc/94/14/43/1047941443.db2.gz JCOLRRVOKGRNAV-HNNXBMFYSA-N 0 0 314.477 4.161 20 10 DICDRN Cc1c(F)cccc1-n1c(N)c(/N=N/c2ccccc2)ccc1=N ZINC001174665187 1047943041 /nfs/dbraw/zinc/94/30/41/1047943041.db2.gz PZYFILBVIRLINX-UKLSTIIHSA-N 0 0 321.359 4.402 20 10 DICDRN COc1cc(Nc2ccc3c(c2)CCCN3)ccc1N1CCCC1 ZINC001159945524 1047953919 /nfs/dbraw/zinc/95/39/19/1047953919.db2.gz BFWLUBLNBLIOFP-UHFFFAOYSA-N 0 0 323.440 4.397 20 10 DICDRN C=CNc1cc(N)ccc1N=Nc1ccc(Br)cn1 ZINC001174787449 1047972212 /nfs/dbraw/zinc/97/22/12/1047972212.db2.gz XBSJZMBNFAAPAF-VHEBQXMUSA-N 0 0 318.178 4.397 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]CCC1(c2ccccc2)CC1 ZINC001183886219 1047976018 /nfs/dbraw/zinc/97/60/18/1047976018.db2.gz SJJGLANNDDCJOM-UHFFFAOYSA-N 0 0 301.817 4.257 20 10 DICDRN CC(C)(C)c1ccc(CC[NH2+]Cc2c([O-])cccc2F)cc1 ZINC001183920115 1047983740 /nfs/dbraw/zinc/98/37/40/1047983740.db2.gz VLZZDUWFZYWWRQ-UHFFFAOYSA-N 0 0 301.405 4.161 20 10 DICDRN C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]Cc1c([O-])cccc1F ZINC001183920067 1047984103 /nfs/dbraw/zinc/98/41/03/1047984103.db2.gz UICBHXRDVLYNDP-ZDUSSCGKSA-N 0 0 312.388 4.124 20 10 DICDRN Oc1cc2ccccc2cc1CNc1ncc(F)c2cc[nH]c21 ZINC001160205948 1047996023 /nfs/dbraw/zinc/99/60/23/1047996023.db2.gz DMPRLVYXUMZMOE-UHFFFAOYSA-N 0 0 307.328 4.173 20 10 DICDRN Oc1cc2ccccc2cc1CNc1nc(Cl)ncc1Cl ZINC001160205629 1047996188 /nfs/dbraw/zinc/99/61/88/1047996188.db2.gz DPTVGQVUCZXTBS-UHFFFAOYSA-N 0 0 320.179 4.254 20 10 DICDRN COc1ccnc(Cl)c1NCc1cc2ccccc2cc1O ZINC001160207007 1047997192 /nfs/dbraw/zinc/99/71/92/1047997192.db2.gz RSIZVPVDZKZENV-UHFFFAOYSA-N 0 0 314.772 4.215 20 10 DICDRN Oc1cc2ccccc2cc1CNc1ccc2ncc(F)cc2n1 ZINC001160207048 1047997516 /nfs/dbraw/zinc/99/75/16/1047997516.db2.gz ULFHCLVOQJSQIZ-UHFFFAOYSA-N 0 0 319.339 4.240 20 10 DICDRN Cc1cc(NCc2cc3ccccc3cc2O)nc(C2CC2)n1 ZINC001160207039 1047997646 /nfs/dbraw/zinc/99/76/46/1047997646.db2.gz TZOSZHJTQASUML-UHFFFAOYSA-N 0 0 305.381 4.133 20 10 DICDRN COCC[C@@H]1CCN(Cc2ccc(N(C)C)cc2)c2ccccc21 ZINC001198684997 1047997978 /nfs/dbraw/zinc/99/79/78/1047997978.db2.gz GTBKEKZWFWBENT-SFHVURJKSA-N 0 0 324.468 4.283 20 10 DICDRN Nc1ccc(Nc2cc(F)c(OCC3CCC3)c(F)c2)cc1 ZINC001160241617 1048008033 /nfs/dbraw/zinc/00/80/33/1048008033.db2.gz TXJZWPLVDBACJU-UHFFFAOYSA-N 0 0 304.340 4.470 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H]1C(C)C ZINC000775901452 1048012234 /nfs/dbraw/zinc/01/22/34/1048012234.db2.gz ZXNCSNSDCNILDR-CQSZACIVSA-N 0 0 302.443 4.026 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1ccc2ccccc2c1O ZINC001184266191 1048019761 /nfs/dbraw/zinc/01/97/61/1048019761.db2.gz ZTIZFOVHKQOJNY-UHFFFAOYSA-N 0 0 313.784 4.194 20 10 DICDRN O=C(NC1CCCC1)N(Cc1ccccc1O)C1CCCCC1 ZINC000104767204 1048022119 /nfs/dbraw/zinc/02/21/19/1048022119.db2.gz RCJHKMAMJWWTAG-UHFFFAOYSA-N 0 0 316.445 4.179 20 10 DICDRN CCC[C@@](C)([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccc1 ZINC001184290525 1048025964 /nfs/dbraw/zinc/02/59/64/1048025964.db2.gz LDVYBVCZNJLKGK-GOSISDBHSA-N 0 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CC[C@H](C)n1ncc(NCc2cccc(OC)c2O)c1C1CC1 ZINC000774823386 1048131297 /nfs/dbraw/zinc/13/12/97/1048131297.db2.gz JLXDIOFMOJLGHN-LBPRGKRZSA-N 0 0 315.417 4.058 20 10 DICDRN CC(C)Oc1ccccc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776038448 1048131923 /nfs/dbraw/zinc/13/19/23/1048131923.db2.gz YUMWREGRSDBLSK-UHFFFAOYSA-N 0 0 305.805 4.123 20 10 DICDRN CCOc1ccc(CNc2cccc(SC)c2C)c(O)c1 ZINC000774833384 1048138707 /nfs/dbraw/zinc/13/87/07/1048138707.db2.gz UBDMCYQJWNDZHK-UHFFFAOYSA-N 0 0 303.427 4.433 20 10 DICDRN CCOc1cc(Nc2cccc(O)c2O)cc(C(F)(F)F)c1 ZINC001175139148 1048162296 /nfs/dbraw/zinc/16/22/96/1048162296.db2.gz HHKWJLDIVFLSOC-UHFFFAOYSA-N 0 0 313.275 4.259 20 10 DICDRN CN(c1ccc(N)cc1)c1cnc(Cl)c(Cl)c1Cl ZINC001250200273 1048207635 /nfs/dbraw/zinc/20/76/35/1048207635.db2.gz BVYACGXIDHZZLA-UHFFFAOYSA-N 0 0 302.592 4.392 20 10 DICDRN CN(C)c1ccc(CNc2ccc3c(c2)CC(C)(C)O3)cc1F ZINC001201209706 1048219210 /nfs/dbraw/zinc/21/92/10/1048219210.db2.gz MLCIGLAPLBTWKB-UHFFFAOYSA-N 0 0 314.404 4.217 20 10 DICDRN Cc1cc(C)cc(NC(=S)N[C@H](C)c2ccccc2O)c1 ZINC001201213101 1048219269 /nfs/dbraw/zinc/21/92/69/1048219269.db2.gz SQFVNMGQFZBVQH-CYBMUJFWSA-N 0 0 300.427 4.057 20 10 DICDRN Cc1cc(C)cc(NC(=S)NCc2ccc3ccccc3n2)c1 ZINC001201210250 1048219368 /nfs/dbraw/zinc/21/93/68/1048219368.db2.gz ROGBMVSDWMTGOR-UHFFFAOYSA-N 0 0 321.449 4.338 20 10 DICDRN CCCN(Cc1ccccc1O)c1ccnc(-c2ccccc2)n1 ZINC001185734751 1048219948 /nfs/dbraw/zinc/21/99/48/1048219948.db2.gz DRRBKXCPEBRUKC-UHFFFAOYSA-N 0 0 319.408 4.266 20 10 DICDRN CN(Cc1ccccc1O)c1nc2cc(Cl)cc(Cl)c2o1 ZINC001185838633 1048233171 /nfs/dbraw/zinc/23/31/71/1048233171.db2.gz LOVCJCPJBQXDFD-UHFFFAOYSA-N 0 0 323.179 4.477 20 10 DICDRN COc1ccc(Cl)cc1NCc1ccc(N(C)C)c(F)c1 ZINC001201337957 1048243741 /nfs/dbraw/zinc/24/37/41/1048243741.db2.gz HOWUTSPUHUJRBT-UHFFFAOYSA-N 0 0 308.784 4.166 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]C1CC(c2ccccc2F)C1 ZINC000776171233 1048266759 /nfs/dbraw/zinc/26/67/59/1048266759.db2.gz ZWVASKSIHMYCTD-UHFFFAOYSA-N 0 0 305.780 4.221 20 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/nfs/dbraw/zinc/33/78/59/1048337859.db2.gz CUBGLGNLELFHGZ-UHFFFAOYSA-N 0 0 324.336 4.074 20 10 DICDRN Nc1ccc(N(Cc2ccccc2)c2cccc(CO)c2)cc1 ZINC001175514064 1048348664 /nfs/dbraw/zinc/34/86/64/1048348664.db2.gz KARUBQFMCUYYBO-UHFFFAOYSA-N 0 0 304.393 4.099 20 10 DICDRN O=C(c1ccncc1)c1ccccc1Nc1ccc(C2CC2)nc1 ZINC001201722393 1048355570 /nfs/dbraw/zinc/35/55/70/1048355570.db2.gz CICMXILJKNYRBB-UHFFFAOYSA-N 0 0 315.376 4.329 20 10 DICDRN Nc1ccc(CNc2nc(Cl)nc3cccc(Cl)c32)cc1 ZINC001162786464 1048358925 /nfs/dbraw/zinc/35/89/25/1048358925.db2.gz WVMILIOXXRXERB-UHFFFAOYSA-N 0 0 319.195 4.131 20 10 DICDRN Nc1ccc(CNc2nc(Cl)cc3ccc(F)cc32)cc1 ZINC001162784918 1048359575 /nfs/dbraw/zinc/35/95/75/1048359575.db2.gz ZHMLVNSLVNFGIP-UHFFFAOYSA-N 0 0 301.752 4.222 20 10 DICDRN COc1cccc2c(NCc3ccc(N)cc3)cc(Cl)nc12 ZINC001162784458 1048359631 /nfs/dbraw/zinc/35/96/31/1048359631.db2.gz OBVUVMUNOMKZEF-UHFFFAOYSA-N 0 0 313.788 4.091 20 10 DICDRN Nc1ccc(CNc2nc(Cl)cc3cc(F)ccc32)cc1 ZINC001162784730 1048360003 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ZINC000776222682 1048391667 /nfs/dbraw/zinc/39/16/67/1048391667.db2.gz QJQRQEMWQKQZAM-MRXNPFEDSA-N 0 0 319.857 4.166 20 10 DICDRN Cc1cc(N[C@@H](C)c2ccc(N(C)C)cc2)nc(C2CCC2)n1 ZINC001163099637 1048415308 /nfs/dbraw/zinc/41/53/08/1048415308.db2.gz MGCMBSCYRQQNLS-AWEZNQCLSA-N 0 0 310.445 4.292 20 10 DICDRN CCCCc1ccc(NC(=O)NCc2cccc(C)c2O)cc1 ZINC001187748510 1048439835 /nfs/dbraw/zinc/43/98/35/1048439835.db2.gz CCNVGOPCOFWEEX-UHFFFAOYSA-N 0 0 312.413 4.365 20 10 DICDRN Cc1cccc(C[NH2+]Cc2cccc(Br)c2[O-])c1C ZINC000775154252 1048454117 /nfs/dbraw/zinc/45/41/17/1048454117.db2.gz YUMSBKZDFDHOQT-UHFFFAOYSA-N 0 0 320.230 4.061 20 10 DICDRN CC(C)[C@H](C)N(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000776245891 1048465538 /nfs/dbraw/zinc/46/55/38/1048465538.db2.gz ILVPEENOWHSNMN-GJZGRUSLSA-N 0 0 317.477 4.032 20 10 DICDRN CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776254911 1048467493 /nfs/dbraw/zinc/46/74/93/1048467493.db2.gz NVBBHZFLUQICOL-GTNSWQLSSA-N 0 0 323.795 4.051 20 10 DICDRN Cc1cc(C)nc(N[C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)n1 ZINC001163486677 1048477574 /nfs/dbraw/zinc/47/75/74/1048477574.db2.gz MOIWHHZHFXVRHX-QGZVFWFLSA-N 0 0 311.429 4.151 20 10 DICDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2Nc1ncccc1F ZINC001163486435 1048477713 /nfs/dbraw/zinc/47/77/13/1048477713.db2.gz JTSKEAMESVJIFQ-MRXNPFEDSA-N 0 0 300.377 4.279 20 10 DICDRN Cc1cc(C)nc(N[C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)n1 ZINC001163486675 1048477928 /nfs/dbraw/zinc/47/79/28/1048477928.db2.gz MOIWHHZHFXVRHX-KRWDZBQOSA-N 0 0 311.429 4.151 20 10 DICDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2Nc1ccc(Cl)nn1 ZINC001163486169 1048477977 /nfs/dbraw/zinc/47/79/77/1048477977.db2.gz DSXNWKKUOQTLLI-INIZCTEOSA-N 0 0 317.820 4.188 20 10 DICDRN O=C(Nc1ccc2ccccc2c1)N1CCc2cccc(O)c2C1 ZINC001188602904 1048526091 /nfs/dbraw/zinc/52/60/91/1048526091.db2.gz HVFXKOXCMKWHSH-UHFFFAOYSA-N 0 0 318.376 4.136 20 10 DICDRN C[C@@H](NC(=O)Nc1ccc2ccccc2c1)c1ccccc1O ZINC001188616734 1048528910 /nfs/dbraw/zinc/52/89/10/1048528910.db2.gz 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/nfs/dbraw/zinc/57/68/29/1048576829.db2.gz KJQZNVYLDUWIMO-UHFFFAOYSA-N 0 0 311.425 4.237 20 10 DICDRN COc1ccc(N(c2c(C)noc2C)c2ccc(N)cc2)cc1 ZINC001176180049 1048583890 /nfs/dbraw/zinc/58/38/90/1048583890.db2.gz FHSYJHQSUBWMSD-UHFFFAOYSA-N 0 0 309.369 4.352 20 10 DICDRN COc1ccc(O)c([C@H](C)NC(=O)C(CC(C)C)CC(C)C)c1 ZINC001545684293 1048583912 /nfs/dbraw/zinc/58/39/12/1048583912.db2.gz RCPXMELCEZBXAP-AWEZNQCLSA-N 0 0 321.461 4.286 20 10 DICDRN O=C(Nc1cccc(N2CCCC2)c1)c1ccc2[nH]ccc2c1 ZINC000107561222 1048585080 /nfs/dbraw/zinc/58/50/80/1048585080.db2.gz MAYOWTHACBTQSQ-UHFFFAOYSA-N 0 0 305.381 4.020 20 10 DICDRN C[C@@H]1CC[C@@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000776446375 1048606427 /nfs/dbraw/zinc/60/64/27/1048606427.db2.gz FTXYDBGJCCVMRH-SJLPKXTDSA-N 0 0 314.473 4.072 20 10 DICDRN CC(C)N(C(=O)CSc1ncc(Cl)s1)C1CCCC1 ZINC000849998675 1048610628 /nfs/dbraw/zinc/61/06/28/1048610628.db2.gz HXAZMBCNTSURCT-UHFFFAOYSA-N 0 0 318.895 4.068 20 10 DICDRN COC(=O)c1oc([C@@H](C)Sc2ncc(Cl)s2)cc1C ZINC000850000367 1048610918 /nfs/dbraw/zinc/61/09/18/1048610918.db2.gz SGZRJSQJLPXKTC-SSDOTTSWSA-N 0 0 317.819 4.338 20 10 DICDRN CCN(C(=O)CSc1ncc(Cl)s1)C1CCCCC1 ZINC000849998620 1048610987 /nfs/dbraw/zinc/61/09/87/1048610987.db2.gz QNCOOVANWDIZBF-UHFFFAOYSA-N 0 0 318.895 4.070 20 10 DICDRN Nc1ccc(Cc2ccc(Nc3ccc4nonc4c3)cc2)cc1 ZINC001176327303 1048627986 /nfs/dbraw/zinc/62/79/86/1048627986.db2.gz FZXXIRBCOQRIAF-UHFFFAOYSA-N 0 0 316.364 4.139 20 10 DICDRN Nc1ccc(N(Cc2ccccc2)c2ccc3nonc3c2)cc1 ZINC001176326841 1048629084 /nfs/dbraw/zinc/62/90/84/1048629084.db2.gz ATODVKRZCYQKFK-UHFFFAOYSA-N 0 0 316.364 4.143 20 10 DICDRN Cc1cc(O)c(CNc2ccc3c(c2)CCOC3)c(Cl)c1 ZINC000850381920 1048643955 /nfs/dbraw/zinc/64/39/55/1048643955.db2.gz KOHFKFGURQNXGF-UHFFFAOYSA-N 0 0 303.789 4.039 20 10 DICDRN CCN(CC)c1ccc(CNc2ccc3c(c2)CCOC3)cc1 ZINC000850381347 1048644193 /nfs/dbraw/zinc/64/41/93/1048644193.db2.gz BSLVQYKGVMOBHL-UHFFFAOYSA-N 0 0 310.441 4.218 20 10 DICDRN COc1c(Cl)cc(Nc2cccc(O)c2O)cc1Cl ZINC001176309699 1048646608 /nfs/dbraw/zinc/64/66/08/1048646608.db2.gz VZGDNAAFBQLKHN-UHFFFAOYSA-N 0 0 300.141 4.157 20 10 DICDRN Nc1ccc(Nc2cccc3c2cnn3[C@@H]2CCCCO2)cc1 ZINC001176314581 1048647752 /nfs/dbraw/zinc/64/77/52/1048647752.db2.gz AHNARUQYTVHCLP-SFHVURJKSA-N 0 0 308.385 4.061 20 10 DICDRN O=C(c1ccccc1)c1ccccc1Nc1csc(CO)c1 ZINC001176368865 1048662221 /nfs/dbraw/zinc/66/22/21/1048662221.db2.gz CSBWHYLVFMEQSV-UHFFFAOYSA-N 0 0 309.390 4.215 20 10 DICDRN C[C@@H]([NH2+]CCC(C)(C)F)c1cc(Br)c(F)cc1[O-] ZINC000850530954 1048683437 /nfs/dbraw/zinc/68/34/37/1048683437.db2.gz FRCJFUTXQGQROJ-MRVPVSSYSA-N 0 0 322.193 4.083 20 10 DICDRN C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000850536595 1048684707 /nfs/dbraw/zinc/68/47/07/1048684707.db2.gz LNXQJIKQCYXBMS-PRHODGIISA-N 0 0 309.278 4.107 20 10 DICDRN CC[C@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1cccc(Cl)c1[O-] ZINC000850542602 1048686970 /nfs/dbraw/zinc/68/69/70/1048686970.db2.gz RTQQMDIODQFBBT-IRXDYDNUSA-N 0 0 317.816 4.479 20 10 DICDRN Oc1c(Br)cccc1CNc1cccc2cc[nH]c21 ZINC000775339247 1048688613 /nfs/dbraw/zinc/68/86/13/1048688613.db2.gz JFVXYFXHOZWEGC-UHFFFAOYSA-N 0 0 317.186 4.248 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1cccc(Cl)c1[O-] ZINC000850552595 1048689437 /nfs/dbraw/zinc/68/94/37/1048689437.db2.gz OCDRCLYATGSJEL-VXGBXAGGSA-N 0 0 303.780 4.378 20 10 DICDRN CCOc1ccc(O)c(CNc2ccc(Cl)cc2OC)c1 ZINC000775345906 1048696576 /nfs/dbraw/zinc/69/65/76/1048696576.db2.gz RKKAUSIAFLUFTQ-UHFFFAOYSA-N 0 0 307.777 4.065 20 10 DICDRN C[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000850571279 1048698225 /nfs/dbraw/zinc/69/82/25/1048698225.db2.gz OXNBURNMMVNGPD-UWVGGRQHSA-N 0 0 318.244 4.165 20 10 DICDRN Cc1cc(C(=O)N[C@@H]2C=CCC2)c(C)n1-c1cccc(Cl)c1 ZINC001165667223 1048705405 /nfs/dbraw/zinc/70/54/05/1048705405.db2.gz JTLBALXLFJEGDE-OAHLLOKOSA-N 0 0 314.816 4.196 20 10 DICDRN CCOC(=O)CCCCSc1ncc(C(C)(C)C)s1 ZINC001165809165 1048718213 /nfs/dbraw/zinc/71/82/13/1048718213.db2.gz WBLNYHHNULDRKT-UHFFFAOYSA-N 0 0 301.477 4.266 20 10 DICDRN CCCCCC[C@@](C)(CCC)C(=O)NCc1cccc(O)c1O ZINC001176564879 1048726889 /nfs/dbraw/zinc/72/68/89/1048726889.db2.gz GMGCBZQPXCTSRY-LJQANCHMSA-N 0 0 321.461 4.491 20 10 DICDRN Cc1ccc(N(C)C(=O)/C=C\c2cnccc2C)cc1Cl ZINC000783992621 1048726855 /nfs/dbraw/zinc/72/68/55/1048726855.db2.gz DUALHKACNBYXHF-ALCCZGGFSA-N 0 0 300.789 4.028 20 10 DICDRN COC(=O)c1cnc(SCc2cccc(C(C)C)c2)s1 ZINC001166234557 1048742409 /nfs/dbraw/zinc/74/24/09/1048742409.db2.gz MVIXJMLSHAGSSE-UHFFFAOYSA-N 0 0 307.440 4.345 20 10 DICDRN Cc1cc(C)c(CNC(=O)c2ccc(C(C)(F)F)cc2)c(O)c1 ZINC001190526186 1048749836 /nfs/dbraw/zinc/74/98/36/1048749836.db2.gz DBTAGSNGPRZQFZ-UHFFFAOYSA-N 0 0 319.351 4.051 20 10 DICDRN O=C1[C@H](Sc2ncc(Cl)s2)CCCN1c1ccccc1 ZINC001166588437 1048767231 /nfs/dbraw/zinc/76/72/31/1048767231.db2.gz XEHXELHPCWYOTC-LLVKDONJSA-N 0 0 324.858 4.084 20 10 DICDRN CC(=O)c1cc(F)cc(C[N@@H+](C)C2CCCCCCC2)c1[O-] ZINC001190781658 1048786171 /nfs/dbraw/zinc/78/61/71/1048786171.db2.gz VIILWVZQMGHTSN-UHFFFAOYSA-N 0 0 307.409 4.279 20 10 DICDRN C[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000775419551 1048795386 /nfs/dbraw/zinc/79/53/86/1048795386.db2.gz JCNVIOMXLAYJBB-GFCCVEGCSA-N 0 0 317.820 4.289 20 10 DICDRN CCCCN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 ZINC001190936496 1048802835 /nfs/dbraw/zinc/80/28/35/1048802835.db2.gz XUZWYLQWKMVQGE-UHFFFAOYSA-N 0 0 318.461 4.264 20 10 DICDRN Cc1ccc(F)c(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775433628 1048844674 /nfs/dbraw/zinc/84/46/74/1048844674.db2.gz SQQBLVNIFNMPPK-ZDUSSCGKSA-N 0 0 315.392 4.083 20 10 DICDRN CSc1cccc(NCc2cc(F)c(N(C)C)cc2F)c1 ZINC001177366499 1048874223 /nfs/dbraw/zinc/87/42/23/1048874223.db2.gz GCKSZFDFUOACAD-UHFFFAOYSA-N 0 0 308.397 4.365 20 10 DICDRN COc1cc(C)cc(NCc2cc(F)c(N(C)C)cc2F)c1C ZINC001203345614 1048878227 /nfs/dbraw/zinc/87/82/27/1048878227.db2.gz HPDMYIXVLDSXSP-UHFFFAOYSA-N 0 0 320.383 4.268 20 10 DICDRN CC(C)(C[NH2+]Cc1c([O-])ccc(Cl)c1F)CC(F)(F)F ZINC000853096233 1048882380 /nfs/dbraw/zinc/88/23/80/1048882380.db2.gz TZTAVFIFEWGJFH-UHFFFAOYSA-N 0 0 313.722 4.253 20 10 DICDRN CN(C)c1ccc(/C=C/CNc2cccc3cccnc32)cc1 ZINC001177420498 1048887177 /nfs/dbraw/zinc/88/71/77/1048887177.db2.gz GAPMIYJGXGXORU-GQCTYLIASA-N 0 0 303.409 4.426 20 10 DICDRN CCCc1nc(C)c(COc2ccc(N3CCCC3)cc2)o1 ZINC000853675502 1048912970 /nfs/dbraw/zinc/91/29/70/1048912970.db2.gz UERIQUUGVSUNDC-UHFFFAOYSA-N 0 0 300.402 4.115 20 10 DICDRN C[N@H+](Cc1cccc(F)c1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203574432 1048932540 /nfs/dbraw/zinc/93/25/40/1048932540.db2.gz VPTQQCQLMPIQTK-UHFFFAOYSA-N 0 0 314.187 4.470 20 10 DICDRN COC(C)(C)[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203580629 1048935597 /nfs/dbraw/zinc/93/55/97/1048935597.db2.gz UMAMMUDGRPVTHI-CYBMUJFWSA-N 0 0 318.244 4.088 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CC(c2ccccc2)C1 ZINC001203581862 1048936591 /nfs/dbraw/zinc/93/65/91/1048936591.db2.gz BANCMJHAVQDGQY-UHFFFAOYSA-N 0 0 308.208 4.298 20 10 DICDRN Cc1cccc2c1CC[C@@H]2[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001177774340 1048936765 /nfs/dbraw/zinc/93/67/65/1048936765.db2.gz JODBPOAQSCZOJX-INIZCTEOSA-N 0 0 305.780 4.270 20 10 DICDRN CCOc1cccc(CN(C)Cc2csc(C(C)C)n2)c1O ZINC001203614156 1048941219 /nfs/dbraw/zinc/94/12/19/1048941219.db2.gz RDEZTOVWFJKJGG-UHFFFAOYSA-N 0 0 320.458 4.003 20 10 DICDRN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCc3cc(N)ccc32)c1O ZINC000854226976 1048954538 /nfs/dbraw/zinc/95/45/38/1048954538.db2.gz PINKQESRPUFBBT-GTNSWQLSSA-N 0 0 316.832 4.274 20 10 DICDRN COc1cc(CNc2ccccc2F)c(O)c(C(C)(C)C)c1 ZINC001178010450 1048973942 /nfs/dbraw/zinc/97/39/42/1048973942.db2.gz XHCHQVGQVKRYOB-UHFFFAOYSA-N 0 0 303.377 4.450 20 10 DICDRN Cc1ccc(CN2CCCc3cc(OC(F)(F)F)ccc32)cn1 ZINC001191723618 1048984279 /nfs/dbraw/zinc/98/42/79/1048984279.db2.gz UOEJNMYBXUBJOF-UHFFFAOYSA-N 0 0 322.330 4.241 20 10 DICDRN CN1CCCc2cc(NCc3ccc(N4CCCC4)cc3)ccc21 ZINC001178114724 1048986055 /nfs/dbraw/zinc/98/60/55/1048986055.db2.gz QIMLTOAWYBITLH-UHFFFAOYSA-N 0 0 321.468 4.281 20 10 DICDRN Cc1cc(NC(=O)Nc2nc3ccccc3n2C)ccc1Cl ZINC001191736984 1048992702 /nfs/dbraw/zinc/99/27/02/1048992702.db2.gz LNWMIJYYYROFQG-UHFFFAOYSA-N 0 0 314.776 4.179 20 10 DICDRN COc1ccc(N(Cc2cccs2)CC2CCOCC2)cc1 ZINC000112697580 1048994473 /nfs/dbraw/zinc/99/44/73/1048994473.db2.gz CPKHSLRCWDWTNH-UHFFFAOYSA-N 0 0 317.454 4.190 20 10 DICDRN CCN(C(=O)/C=C\c1scnc1C)c1ccc(C)cc1C ZINC000776769107 1049003186 /nfs/dbraw/zinc/00/31/86/1049003186.db2.gz SKXJLHMPZCUZHZ-HJWRWDBZSA-N 0 0 300.427 4.135 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc(N(CC)CC)cc1)c1ccccc1O ZINC000775490307 1049012700 /nfs/dbraw/zinc/01/27/00/1049012700.db2.gz BNCHSWWPXMIFHN-IBGZPJMESA-N 0 0 312.457 4.479 20 10 DICDRN CC[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775488564 1049015311 /nfs/dbraw/zinc/01/53/11/1049015311.db2.gz IZFWBQUKYUUKMP-GWCFXTLKSA-N 0 0 318.244 4.309 20 10 DICDRN COc1ccc(N(C)Cc2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC001191892501 1049016303 /nfs/dbraw/zinc/01/63/03/1049016303.db2.gz XSFRJGVXTBYCAH-UHFFFAOYSA-N 0 0 320.776 4.202 20 10 DICDRN CN(Cc1ccc(O)c(O)c1)Cc1c(Cl)cccc1Cl ZINC001203882430 1049020714 /nfs/dbraw/zinc/02/07/14/1049020714.db2.gz IVIVBVBCKGVKSN-UHFFFAOYSA-N 0 0 312.196 4.037 20 10 DICDRN Cc1cc(NCc2cc(F)c(N(C)C)cc2F)ccc1N(C)C ZINC001178361700 1049026570 /nfs/dbraw/zinc/02/65/70/1049026570.db2.gz ZUVGQQPRRPQKKF-UHFFFAOYSA-N 0 0 319.399 4.017 20 10 DICDRN CCOc1ccc(N(CC)Cc2nccn2-c2ccccc2)cc1 ZINC001192014840 1049031819 /nfs/dbraw/zinc/03/18/19/1049031819.db2.gz WRLMPTBYZPFMJH-UHFFFAOYSA-N 0 0 321.424 4.298 20 10 DICDRN O=C(NCc1c(O)cccc1F)c1ccc(C2CCCC2)cc1 ZINC001178412819 1049037470 /nfs/dbraw/zinc/03/74/70/1049037470.db2.gz GPRJVMUGFDIPGV-UHFFFAOYSA-N 0 0 313.372 4.119 20 10 DICDRN COc1ccc(N(Cc2ccccc2)Cc2ccncc2F)cc1 ZINC001192062210 1049038439 /nfs/dbraw/zinc/03/84/39/1049038439.db2.gz TYZOJGNMVNFEFN-UHFFFAOYSA-N 0 0 322.383 4.436 20 10 DICDRN CC(C)(C)[C@H]1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC001178500766 1049041028 /nfs/dbraw/zinc/04/10/28/1049041028.db2.gz CWNNQPSAZJKNBD-GJZGRUSLSA-N 0 0 320.433 4.385 20 10 DICDRN CC[C@H]([NH2+]CC[C@H](C)OC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775500801 1049041557 /nfs/dbraw/zinc/04/15/57/1049041557.db2.gz LHGWHMQPQHHVQU-CABZTGNLSA-N 0 0 306.233 4.165 20 10 DICDRN CC[C@@H]([NH2+]C[C@](C)(O)C(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775503024 1049044565 /nfs/dbraw/zinc/04/45/65/1049044565.db2.gz AEDYXFGJZKHZMA-DOMZBBRYSA-N 0 0 320.260 4.147 20 10 DICDRN CC[C@H]([NH2+][C@H](C)[C@H]1CCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775509754 1049053288 /nfs/dbraw/zinc/05/32/88/1049053288.db2.gz VBVNTWFLACULOH-NRUUGDAUSA-N 0 0 318.244 4.165 20 10 DICDRN CN(Cc1ccccc1O)C(=O)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000775516956 1049059192 /nfs/dbraw/zinc/05/91/92/1049059192.db2.gz XDPZTSSYFOQQLQ-UHFFFAOYSA-N 0 0 321.380 4.051 20 10 DICDRN CC(C)COc1ccccc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC001204002205 1049059420 /nfs/dbraw/zinc/05/94/20/1049059420.db2.gz JAODXRRHOPHZMT-UHFFFAOYSA-N 0 0 319.832 4.370 20 10 DICDRN CC(C)c1ccccc1NC(=O)N1CCc2cccc(O)c2C1 ZINC001192243757 1049060237 /nfs/dbraw/zinc/06/02/37/1049060237.db2.gz UKNBQWVBMQWGBN-UHFFFAOYSA-N 0 0 310.397 4.106 20 10 DICDRN C[C@H](Nc1ccc(N2CCCCC2)cn1)c1ccc(N(C)C)cc1 ZINC000776846238 1049068282 /nfs/dbraw/zinc/06/82/82/1049068282.db2.gz BCZXTJUPEKRNBS-INIZCTEOSA-N 0 0 324.472 4.311 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H](C)SC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775522885 1049083098 /nfs/dbraw/zinc/08/30/98/1049083098.db2.gz AMZXTGASPARALV-LDYMZIIASA-N 0 0 308.274 4.491 20 10 DICDRN CC[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775523914 1049087908 /nfs/dbraw/zinc/08/79/08/1049087908.db2.gz AYJTVOHRKTVOQI-NRUUGDAUSA-N 0 0 318.244 4.307 20 10 DICDRN Cc1nn(C)c2cc(NCc3c(O)cc(C)cc3Cl)ccc12 ZINC001178775357 1049095281 /nfs/dbraw/zinc/09/52/81/1049095281.db2.gz UHUFGDRZUODYMN-UHFFFAOYSA-N 0 0 315.804 4.161 20 10 DICDRN Cc1c(NCc2cc(F)cc(F)c2O)cccc1-c1ncco1 ZINC001178817236 1049101828 /nfs/dbraw/zinc/10/18/28/1049101828.db2.gz LWGLPKQYLSYNSN-UHFFFAOYSA-N 0 0 316.307 4.246 20 10 DICDRN C[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000857079870 1049124930 /nfs/dbraw/zinc/12/49/30/1049124930.db2.gz ASWBDHLDACIRLI-SFYZADRCSA-N 0 0 310.171 4.395 20 10 DICDRN C[C@H](Nc1cc(Br)ccn1)c1ccc(N(C)C)cc1 ZINC000775540953 1049124835 /nfs/dbraw/zinc/12/48/35/1049124835.db2.gz PLSOROPJFMVCCC-NSHDSACASA-N 0 0 320.234 4.083 20 10 DICDRN Cc1ccccc1CCC(=O)NCc1c(O)ccc2ccccc21 ZINC001179033286 1049124987 /nfs/dbraw/zinc/12/49/87/1049124987.db2.gz VCEJBJNQQZQIFC-UHFFFAOYSA-N 0 0 319.404 4.103 20 10 DICDRN C[C@@H](Nc1cc(Br)ccn1)c1ccc(N(C)C)cc1 ZINC000775540952 1049125228 /nfs/dbraw/zinc/12/52/28/1049125228.db2.gz PLSOROPJFMVCCC-LLVKDONJSA-N 0 0 320.234 4.083 20 10 DICDRN CCN(C)c1ccc(C[NH2+]C(C)(C)c2nc(C)c(C)s2)cc1 ZINC000773796086 1049125778 /nfs/dbraw/zinc/12/57/78/1049125778.db2.gz XMFHVZKIAPAZBS-UHFFFAOYSA-N 0 0 317.502 4.241 20 10 DICDRN C[C@H]([NH2+]CC[C@H]1CC1(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000857079871 1049126261 /nfs/dbraw/zinc/12/62/61/1049126261.db2.gz ASWBDHLDACIRLI-YUMQZZPRSA-N 0 0 310.171 4.395 20 10 DICDRN COc1cc(C)c(C)cc1NCc1cc(F)c(N(C)C)cc1F ZINC001179135474 1049134960 /nfs/dbraw/zinc/13/49/60/1049134960.db2.gz RZZRGMDZGZDGDD-UHFFFAOYSA-N 0 0 320.383 4.268 20 10 DICDRN Clc1ccc2c(c1)CN(Cc1ccc(N3CCCC3)cc1)C2 ZINC001204328414 1049142714 /nfs/dbraw/zinc/14/27/14/1049142714.db2.gz HXOZLBXWESPBFX-UHFFFAOYSA-N 0 0 312.844 4.456 20 10 DICDRN CC[C@H](Nc1cccc2c1OCO2)c1cc(Cl)ccc1O ZINC000775551198 1049143260 /nfs/dbraw/zinc/14/32/60/1049143260.db2.gz JBHUILHGRWNVIF-LBPRGKRZSA-N 0 0 305.761 4.338 20 10 DICDRN CN(C)c1ccc(CN(C)C(=O)C[C@H]2CCCC(C)(C)C2)cc1 ZINC000857433948 1049146390 /nfs/dbraw/zinc/14/63/90/1049146390.db2.gz UCOHSBYNNVPWDK-QGZVFWFLSA-N 0 0 316.489 4.318 20 10 DICDRN CN1CCCc2cc(CNC(=O)CC3(C)CCCCC3)ccc21 ZINC000857442604 1049149859 /nfs/dbraw/zinc/14/98/59/1049149859.db2.gz MLAZGCTXIATYMD-UHFFFAOYSA-N 0 0 314.473 4.046 20 10 DICDRN COc1ccc(-n2c(C)cc(-c3nc([C@@H]4C[C@@H]4C)no3)c2C)cc1 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[O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001180007084 1049255216 /nfs/dbraw/zinc/25/52/16/1049255216.db2.gz PRVDAZQDQUOWPV-HNNXBMFYSA-N 0 0 317.379 4.125 20 10 DICDRN CCCCCOC(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001193783916 1049257259 /nfs/dbraw/zinc/25/72/59/1049257259.db2.gz ZWBBCSVMUDVZSB-UHFFFAOYSA-N 0 0 322.792 4.010 20 10 DICDRN CC[N@H+](Cc1ccc(OC)cc1)Cc1c([O-])ccc(Cl)c1F ZINC001180042779 1049260885 /nfs/dbraw/zinc/26/08/85/1049260885.db2.gz JILQVNNNDZTTCG-UHFFFAOYSA-N 0 0 323.795 4.215 20 10 DICDRN C[C@@H](Nc1cnn(CCF)c1)c1cc(Cl)c(Cl)cc1O ZINC000858492014 1049264918 /nfs/dbraw/zinc/26/49/18/1049264918.db2.gz RTXJPQODWRUYAP-MRVPVSSYSA-N 0 0 318.179 4.038 20 10 DICDRN COCCOCc1ccc(N[C@H](C)c2cc(C)ccc2O)cc1 ZINC000858549863 1049271606 /nfs/dbraw/zinc/27/16/06/1049271606.db2.gz FBZUTWAWDWQIIW-OAHLLOKOSA-N 0 0 315.413 4.037 20 10 DICDRN CC[C@@H]([NH2+]Cc1cc(C)n(-c2ccccc2)c1C)c1ccn(C)n1 ZINC000858541666 1049272305 /nfs/dbraw/zinc/27/23/05/1049272305.db2.gz 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1050639993 /nfs/dbraw/zinc/63/99/93/1050639993.db2.gz PQKVYBKVRSYERX-UHFFFAOYSA-N 0 0 316.426 4.086 20 10 DICDRN C[C@@H](N[C@H](CCc1ccccc1)C(F)F)c1ccccc1O ZINC000845990429 1050641362 /nfs/dbraw/zinc/64/13/62/1050641362.db2.gz NSUPMVDGEKLFKA-CZUORRHYSA-N 0 0 305.368 4.309 20 10 DICDRN C[C@H](c1ccccc1)N(CC1CCC1)C(=O)C1=CC(=O)CS1 ZINC000740943555 1050642069 /nfs/dbraw/zinc/64/20/69/1050642069.db2.gz XOHJFMGFDBUKKL-CYBMUJFWSA-N 0 0 315.438 4.457 20 10 DICDRN CCC[C@H]1CC[C@H](C(=O)NCc2c(C)cc(C)cc2O)CC1 ZINC001144643793 1050642879 /nfs/dbraw/zinc/64/28/79/1050642879.db2.gz BFYNYWYCXSETAT-WKILWMFISA-N 0 0 303.446 4.232 20 10 DICDRN CC(C)(C)c1cnc(SC[C@H](O)c2ccc(F)cc2)s1 ZINC000788105477 1050648278 /nfs/dbraw/zinc/64/82/78/1050648278.db2.gz POLGXWYNZMQYPE-LBPRGKRZSA-N 0 0 311.447 4.405 20 10 DICDRN CCC(O)(CC)CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000788264123 1050663346 /nfs/dbraw/zinc/66/33/46/1050663346.db2.gz XLCOOHCAMFUDLI-JTQLQIEISA-N 0 0 320.260 4.291 20 10 DICDRN 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IYXXPHTYMXLQTN-ZBFHGGJFSA-N 0 0 309.409 4.080 20 10 DICDRN C[C@H](NC(=O)c1ccc(-c2ccco2)s1)c1ccccc1O ZINC001171730917 1051201576 /nfs/dbraw/zinc/20/15/76/1051201576.db2.gz ROQGHNSLYHCKKH-NSHDSACASA-N 0 0 313.378 4.205 20 10 DICDRN CCCc1sc(C(=O)N[C@@H](C)c2ccccc2O)cc1CC ZINC001171729467 1051202126 /nfs/dbraw/zinc/20/21/26/1051202126.db2.gz DMKNIXAKLCNOPI-LBPRGKRZSA-N 0 0 317.454 4.460 20 10 DICDRN COc1ccc(N(C)Cc2c(F)cccc2Br)cc1 ZINC001171745891 1051204223 /nfs/dbraw/zinc/20/42/23/1051204223.db2.gz GYFHNTJYLSVPGK-UHFFFAOYSA-N 0 0 324.193 4.233 20 10 DICDRN Cc1ccnc(NCc2ccc(N(C)C)cc2C(F)(F)F)c1 ZINC000792921022 1051228325 /nfs/dbraw/zinc/22/83/25/1051228325.db2.gz ABODVWXEOZJGTA-UHFFFAOYSA-N 0 0 309.335 4.087 20 10 DICDRN CCC(CC)NC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000745257040 1051239860 /nfs/dbraw/zinc/23/98/60/1051239860.db2.gz ACQMBAZZOOQPFH-UHFFFAOYSA-N 0 0 318.461 4.425 20 10 DICDRN CCC[C@@](C)(CC)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000793043622 1051241352 /nfs/dbraw/zinc/24/13/52/1051241352.db2.gz SECPTMJYXFMAFY-LJQANCHMSA-N 0 0 302.462 4.119 20 10 DICDRN CC(C)(C)c1csc2ncnc(NCc3ccccc3O)c12 ZINC000793096809 1051246220 /nfs/dbraw/zinc/24/62/20/1051246220.db2.gz BGHZQGHSLNIMLU-UHFFFAOYSA-N 0 0 313.426 4.307 20 10 DICDRN CCOc1ccc(Nc2nc(-c3ccncc3)cs2)c(C)n1 ZINC001215576982 1051254149 /nfs/dbraw/zinc/25/41/49/1051254149.db2.gz POAWFNOGKQQSAD-UHFFFAOYSA-N 0 0 312.398 4.051 20 10 DICDRN CCC[C@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@H](O)c1ccccc1 ZINC000793241389 1051271513 /nfs/dbraw/zinc/27/15/13/1051271513.db2.gz OKUJFLPLSXZKHW-FUHWJXTLSA-N 0 0 319.832 4.038 20 10 DICDRN CCC[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@H](O)c1ccccc1 ZINC000793241393 1051271598 /nfs/dbraw/zinc/27/15/98/1051271598.db2.gz OKUJFLPLSXZKHW-SJLPKXTDSA-N 0 0 319.832 4.038 20 10 DICDRN CCC[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@H](O)c1ccccc1 ZINC000793241386 1051272172 /nfs/dbraw/zinc/27/21/72/1051272172.db2.gz OKUJFLPLSXZKHW-AEFFLSMTSA-N 0 0 319.832 4.038 20 10 DICDRN c1cc2c(c(NCc3ccc(N4CCCCC4)cc3)c1)CCO2 ZINC000793325124 1051284694 /nfs/dbraw/zinc/28/46/94/1051284694.db2.gz HFYKYUDSOUTKHD-UHFFFAOYSA-N 0 0 308.425 4.224 20 10 DICDRN CCCN(C)C(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000745780654 1051286944 /nfs/dbraw/zinc/28/69/44/1051286944.db2.gz WFZQCYRKZZRKPM-UHFFFAOYSA-N 0 0 318.848 4.158 20 10 DICDRN CN(Cc1ccccc1O)C(=O)CC(C)(C)C1CCCCC1 ZINC000793658324 1051332572 /nfs/dbraw/zinc/33/25/72/1051332572.db2.gz RXCWCJQCXFKCHA-UHFFFAOYSA-N 0 0 303.446 4.347 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCC[C@@H]1CC ZINC000793658325 1051333297 /nfs/dbraw/zinc/33/32/97/1051333297.db2.gz RXXMMDTUOZRBAE-DOTOQJQBSA-N 0 0 303.446 4.347 20 10 DICDRN COc1cc2c(cc1NCc1cc(C)ncn1)oc1ccccc12 ZINC000793859757 1051344313 /nfs/dbraw/zinc/34/43/13/1051344313.db2.gz WZYZJUORIIXAAW-UHFFFAOYSA-N 0 0 319.364 4.305 20 10 DICDRN O=C1Oc2ccccc2/C1=C/c1ccc(N2CCCCC2)cc1 ZINC000747161387 1051351107 /nfs/dbraw/zinc/35/11/07/1051351107.db2.gz KTLCFHSIHMDIMD-JXAWBTAJSA-N 0 0 305.377 4.137 20 10 DICDRN Cc1c[nH]cc1-c1nc(-c2ccc(-n3c(C)ccc3C)cc2)no1 ZINC001212654719 1051359104 /nfs/dbraw/zinc/35/91/04/1051359104.db2.gz USBYVENYPRITOV-UHFFFAOYSA-N 0 0 318.380 4.448 20 10 DICDRN C[C@@H](NC(=O)C1=CC(=O)CS1)c1ccc(-c2ccncc2)cc1 ZINC000746409677 1051402882 /nfs/dbraw/zinc/40/28/82/1051402882.db2.gz KPDCSLGOCHTXGR-GFCCVEGCSA-N 0 0 324.405 4.007 20 10 DICDRN Cc1cccc(Cl)c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000829817004 1051404355 /nfs/dbraw/zinc/40/43/55/1051404355.db2.gz JVIQDUFLFYBLBX-CYBMUJFWSA-N 0 0 316.832 4.205 20 10 DICDRN Clc1cnc(NCCCSc2nccs2)c(Cl)c1 ZINC000804452260 1051406228 /nfs/dbraw/zinc/40/62/28/1051406228.db2.gz FNSOCNNYFQRFHO-UHFFFAOYSA-N 0 0 320.270 4.439 20 10 DICDRN Cc1cc(CCNC(=O)C[C@H]2C=CCC2)c(C)n1-c1ccccc1 ZINC000746424780 1051409837 /nfs/dbraw/zinc/40/98/37/1051409837.db2.gz OGQAERNQHROTNJ-SFHVURJKSA-N 0 0 322.452 4.109 20 10 DICDRN CCC1(CC)CN(C(=O)c2ccccc2SC)CCS1 ZINC000766492994 1051432897 /nfs/dbraw/zinc/43/28/97/1051432897.db2.gz WITFPEPOVLKNBG-UHFFFAOYSA-N 0 0 309.500 4.156 20 10 DICDRN Cc1cc(CN2CCn3c(Cl)ccc3[C@H]2C)ccc1N(C)C ZINC001168872906 1051461583 /nfs/dbraw/zinc/46/15/83/1051461583.db2.gz KSXCTXGEHVYADL-CQSZACIVSA-N 0 0 317.864 4.093 20 10 DICDRN C[C@@H](Nc1ccnc(C(F)(F)F)c1)c1ccc(N(C)C)cc1 ZINC000804621911 1051496940 /nfs/dbraw/zinc/49/69/40/1051496940.db2.gz KPICITPDYFHVRO-LLVKDONJSA-N 0 0 309.335 4.340 20 10 DICDRN Cc1ccc(Cl)c(-c2noc(-c3nnsc3C(C)C)n2)c1 ZINC001212687551 1051533612 /nfs/dbraw/zinc/53/36/12/1051533612.db2.gz YWURDKHEUUKMPG-UHFFFAOYSA-N 0 0 320.805 4.340 20 10 DICDRN CCc1cc(Nc2ccccc2C(=O)c2ccncc2)ccc1N ZINC001216041422 1051543068 /nfs/dbraw/zinc/54/30/68/1051543068.db2.gz IXFVLEZQLGZQOB-UHFFFAOYSA-N 0 0 317.392 4.201 20 10 DICDRN COc1cccnc1CNc1ccc(-n2c(C)ccc2C)cc1 ZINC001169209809 1051550535 /nfs/dbraw/zinc/55/05/35/1051550535.db2.gz GEOPKUBEFHYIEM-UHFFFAOYSA-N 0 0 307.397 4.110 20 10 DICDRN Cc1ccc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c(C)c1 ZINC001129973260 1051582007 /nfs/dbraw/zinc/58/20/07/1051582007.db2.gz FGYYFMLSCZWPGA-QGZVFWFLSA-N 0 0 324.468 4.039 20 10 DICDRN CCSCCN(C)c1ccc(OCc2ccccc2)cc1 ZINC001169342360 1051585498 /nfs/dbraw/zinc/58/54/98/1051585498.db2.gz LANJUIJQNAIOOC-UHFFFAOYSA-N 0 0 301.455 4.455 20 10 DICDRN Cc1c(F)cncc1N(c1ccc(N)cc1)c1ccc(N)cc1 ZINC001216195193 1051624477 /nfs/dbraw/zinc/62/44/77/1051624477.db2.gz IRNPCLGYMTZYTD-UHFFFAOYSA-N 0 0 308.360 4.163 20 10 DICDRN CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC001169542081 1051639355 /nfs/dbraw/zinc/63/93/55/1051639355.db2.gz YTQQEAUUHOQHGI-BLLLJJGKSA-N 0 0 309.837 4.307 20 10 DICDRN Cc1cc(N2CCCC2)ccc1N[C@H]1CCc2cccc(O)c21 ZINC000324240604 1051730716 /nfs/dbraw/zinc/73/07/16/1051730716.db2.gz ZGQXAUNLENMECB-SFHVURJKSA-N 0 0 308.425 4.400 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H](O)CC(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806136009 1051734732 /nfs/dbraw/zinc/73/47/32/1051734732.db2.gz QPVIVRQAFAGNSF-SMDDNHRTSA-N 0 0 320.260 4.147 20 10 DICDRN CC[C@@H]([NH2+]CC[C@@H](C)OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806136585 1051736511 /nfs/dbraw/zinc/73/65/11/1051736511.db2.gz FKNHZKUJHVOSCK-NOZJJQNGSA-N 0 0 306.233 4.165 20 10 DICDRN CCc1nc(CC[NH2+][C@@H](CC)c2cccc(Cl)c2[O-])cs1 ZINC000806136363 1051737144 /nfs/dbraw/zinc/73/71/44/1051737144.db2.gz BJKAVLMCLGHLNG-AWEZNQCLSA-N 0 0 324.877 4.348 20 10 DICDRN CC[C@H]([NH2+]C[C@H](O)c1ccccc1C)c1cccc(Cl)c1[O-] ZINC000806138994 1051739168 /nfs/dbraw/zinc/73/91/68/1051739168.db2.gz GNNOKAYTHZKLLR-IRXDYDNUSA-N 0 0 319.832 4.128 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)c1cccc(Cl)c1[O-] ZINC000806138668 1051740100 /nfs/dbraw/zinc/74/01/00/1051740100.db2.gz ZBNBOBUWVRGQNS-YVEFUNNKSA-N 0 0 319.832 4.423 20 10 DICDRN CC[C@H]([NH2+][C@H](C)Cc1ccc(O)cc1)c1cccc(Cl)c1[O-] ZINC000806138665 1051740368 /nfs/dbraw/zinc/74/03/68/1051740368.db2.gz ZBNBOBUWVRGQNS-PXAZEXFGSA-N 0 0 319.832 4.423 20 10 DICDRN CC[C@H]([NH2+]CCc1ccccc1OC)c1cccc(Cl)c1[O-] ZINC000806128104 1051741843 /nfs/dbraw/zinc/74/18/43/1051741843.db2.gz FWUJZYJHEREEBC-INIZCTEOSA-N 0 0 319.832 4.338 20 10 DICDRN CC[C@@H]([NH2+]CCc1ccc(OC)cc1)c1cccc(Cl)c1[O-] ZINC000806129033 1051742783 /nfs/dbraw/zinc/74/27/83/1051742783.db2.gz RKNQECPXISOJSQ-QGZVFWFLSA-N 0 0 319.832 4.338 20 10 DICDRN CCOc1ncccc1C[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000806129496 1051743737 /nfs/dbraw/zinc/74/37/37/1051743737.db2.gz GNJHAIBODPIMOT-OAHLLOKOSA-N 0 0 320.820 4.080 20 10 DICDRN CC(C)SCC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000806168270 1051743907 /nfs/dbraw/zinc/74/39/07/1051743907.db2.gz ZWTVOEBKNLYQHW-VIFPVBQESA-N 0 0 308.274 4.491 20 10 DICDRN CC[C@@H]([NH2+][C@@H](CC)C1CCOCC1)c1cccc(Cl)c1[O-] ZINC000806140924 1051747474 /nfs/dbraw/zinc/74/74/74/1051747474.db2.gz DOTYMEGFKLRTHZ-JKSUJKDBSA-N 0 0 311.853 4.292 20 10 DICDRN CC[C@@H]([NH2+]CCc1ccc(C)nc1)c1cccc(Cl)c1[O-] ZINC000806140383 1051748247 /nfs/dbraw/zinc/74/82/47/1051748247.db2.gz XLFMDXGOAHLDOC-MRXNPFEDSA-N 0 0 304.821 4.032 20 10 DICDRN CCC[C@@](C)(O)C[NH2+][C@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806140185 1051749151 /nfs/dbraw/zinc/74/91/51/1051749151.db2.gz VSJPYNJJWRGAMC-UKRRQHHQSA-N 0 0 320.260 4.291 20 10 DICDRN CC[C@H]([NH2+][C@@H](CCO)C(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806141506 1051749505 /nfs/dbraw/zinc/74/95/05/1051749505.db2.gz KGSIXWRTDDIWMV-KBPBESRZSA-N 0 0 320.260 4.147 20 10 DICDRN CC[C@@H]([NH2+][C@@H](CO)c1ccccc1C)c1cccc(Cl)c1[O-] ZINC000806141313 1051749551 /nfs/dbraw/zinc/74/95/51/1051749551.db2.gz IHGXZSSBWDRRHI-SJORKVTESA-N 0 0 319.832 4.128 20 10 DICDRN CC[C@H]([NH2+][C@H](CCO)C(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806141508 1051751297 /nfs/dbraw/zinc/75/12/97/1051751297.db2.gz KGSIXWRTDDIWMV-UONOGXRCSA-N 0 0 320.260 4.147 20 10 DICDRN CCC(C)(CC)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000767058534 1051751548 /nfs/dbraw/zinc/75/15/48/1051751548.db2.gz WJNAFLIPFQFFQM-UHFFFAOYSA-N 0 0 302.462 4.070 20 10 DICDRN COc1cnc(F)c(Nc2ccc(Cc3ccc(N)cc3)cc2)c1 ZINC001216409058 1051752355 /nfs/dbraw/zinc/75/23/55/1051752355.db2.gz AGIJSOZDSZDVHX-UHFFFAOYSA-N 0 0 323.371 4.146 20 10 DICDRN COc1cnc(F)c(N(Cc2ccccc2)c2ccc(N)cc2)c1 ZINC001216410036 1051752601 /nfs/dbraw/zinc/75/26/01/1051752601.db2.gz ZMNGREYUKXSTKY-UHFFFAOYSA-N 0 0 323.371 4.150 20 10 DICDRN CC[C@H]([NH2+][C@H](C)C[C@@H](O)c1ccco1)c1cccc(Cl)c1[O-] ZINC000806143802 1051753546 /nfs/dbraw/zinc/75/35/46/1051753546.db2.gz QKROVSURWQNLMC-BYCMXARLSA-N 0 0 323.820 4.192 20 10 DICDRN CC[C@H]([NH2+]C[C@H](C)c1c(C)noc1C)c1cccc(Cl)c1[O-] ZINC000806149034 1051754284 /nfs/dbraw/zinc/75/42/84/1051754284.db2.gz OSLXCULLBYWXPY-BONVTDFDSA-N 0 0 322.836 4.495 20 10 DICDRN COc1cc(Nc2ccc(Cc3ccc(N)cc3)cc2)cnc1F ZINC001216422922 1051756843 /nfs/dbraw/zinc/75/68/43/1051756843.db2.gz UPKGXVFCVVKITR-UHFFFAOYSA-N 0 0 323.371 4.146 20 10 DICDRN CC[C@H](Nc1ccc2c(c1)OCO2)c1cccc(Cl)c1O ZINC000806152763 1051757711 /nfs/dbraw/zinc/75/77/11/1051757711.db2.gz UNFMKGXYXLSMGB-ZDUSSCGKSA-N 0 0 305.761 4.338 20 10 DICDRN CC[C@@H]([NH2+]CC[C@H]1CCOC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806157078 1051758773 /nfs/dbraw/zinc/75/87/73/1051758773.db2.gz BDXPEIROKXZDKW-IINYFYTJSA-N 0 0 318.244 4.166 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)c1ccncc1OC)c1cccc(Cl)c1[O-] ZINC000806161513 1051762912 /nfs/dbraw/zinc/76/29/12/1051762912.db2.gz QUEXQVKZNPGOPT-IAQYHMDHSA-N 0 0 320.820 4.251 20 10 DICDRN CC[C@H]([NH2+]CCC[C@@H]1CCCCO1)c1cccc(Cl)c1[O-] ZINC000806160609 1051763812 /nfs/dbraw/zinc/76/38/12/1051763812.db2.gz UCBPOJFXGPITOV-BBRMVZONSA-N 0 0 311.853 4.436 20 10 DICDRN C[C@H]([NH2+]C[C@@H]1CCCSC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000806180047 1051772164 /nfs/dbraw/zinc/77/21/64/1051772164.db2.gz YZRZFJXQDXEXBN-UWVGGRQHSA-N 0 0 320.285 4.493 20 10 DICDRN C[C@@H]([NH2+]C[C@H]1CCCSC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000806180045 1051772995 /nfs/dbraw/zinc/77/29/95/1051772995.db2.gz YZRZFJXQDXEXBN-NXEZZACHSA-N 0 0 320.285 4.493 20 10 DICDRN Nc1ccc(N(CCO)c2ccc(Oc3ccccc3)cc2)cc1 ZINC001173811939 1051789898 /nfs/dbraw/zinc/78/98/98/1051789898.db2.gz UAXRLONZMJFPQV-UHFFFAOYSA-N 0 0 320.392 4.192 20 10 DICDRN Cc1cc(CO)cc(N(c2ccc(N)cc2)c2ccc(N)cc2)c1 ZINC001212757921 1051799517 /nfs/dbraw/zinc/79/95/17/1051799517.db2.gz SJFZAZCENOYKCJ-UHFFFAOYSA-N 0 0 319.408 4.122 20 10 DICDRN CSCc1ccccc1NC(=O)N[C@@H](C)c1ccccc1O ZINC001216537053 1051811578 /nfs/dbraw/zinc/81/15/78/1051811578.db2.gz BIDCMWZVIRHBCX-LBPRGKRZSA-N 0 0 316.426 4.138 20 10 DICDRN C[C@H](N[C@@H](C)C(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000806661118 1051834121 /nfs/dbraw/zinc/83/41/21/1051834121.db2.gz XVENGUJSVHAJIO-STQMWFEESA-N 0 0 300.368 4.278 20 10 DICDRN Cc1c(NCc2ccc(N(C)C)c(F)c2)cnn1C1CCCC1 ZINC000767727534 1051841645 /nfs/dbraw/zinc/84/16/45/1051841645.db2.gz KEBHIVSJELOVEI-UHFFFAOYSA-N 0 0 316.424 4.124 20 10 DICDRN C[C@@H](N[C@H](C1CC1)C(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000806663527 1051843213 /nfs/dbraw/zinc/84/32/13/1051843213.db2.gz XLCWBOLJTVHGTK-QLJPJBMISA-N 0 0 313.363 4.263 20 10 DICDRN C[C@@H]1C[C@H](N[C@@H](C2CC2)C(F)(F)F)c2c1c(F)ccc2O ZINC000806662114 1051844186 /nfs/dbraw/zinc/84/41/86/1051844186.db2.gz KBLUHRCMPYMYIS-IMIVBSTGSA-N 0 0 303.299 4.010 20 10 DICDRN 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/nfs/dbraw/zinc/03/02/15/1053030215.db2.gz MGNHAWRUBKPFLB-NQIIRXRSSA-N 0 0 323.436 4.293 20 10 DICDRN CC[C@@H](Oc1c(O)c(O)ccc1C(=O)c1ccccc1)C(C)C ZINC001227941537 1053030936 /nfs/dbraw/zinc/03/09/36/1053030936.db2.gz VUBNDWSWRJJNOR-MRXNPFEDSA-N 0 0 314.381 4.142 20 10 DICDRN Cc1ccc(N2CCC(Oc3ccc(N(C)C)cc3)CC2)cc1 ZINC001227940624 1053031169 /nfs/dbraw/zinc/03/11/69/1053031169.db2.gz NGHZXLFLUWXUMR-UHFFFAOYSA-N 0 0 310.441 4.109 20 10 DICDRN Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000237835759 1053032683 /nfs/dbraw/zinc/03/26/83/1053032683.db2.gz UNUNOFZNMCLEKS-QGZVFWFLSA-N 0 0 311.425 4.326 20 10 DICDRN Cc1cccc(C(C)C)c1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181157182 1053150869 /nfs/dbraw/zinc/15/08/69/1053150869.db2.gz MEFRDNFUPJCEJE-CSKARUKUSA-N 0 0 311.381 4.182 20 10 DICDRN C[C@H](NC(=O)NC1CCC(C)(C)CC1)c1ccc(N(C)C)cc1 ZINC001228728568 1053168079 /nfs/dbraw/zinc/16/80/79/1053168079.db2.gz AEXOSZCUADCSGP-AWEZNQCLSA-N 0 0 317.477 4.082 20 10 DICDRN Cc1cc(N(C)C)ccc1CNC(=O)C(C)(C)CC(C)(C)C ZINC001360075919 1053181375 /nfs/dbraw/zinc/18/13/75/1053181375.db2.gz YQJWLMTUGLCMNJ-UHFFFAOYSA-N 0 0 304.478 4.140 20 10 DICDRN Cc1cc(N(C)C)ccc1CNC(=O)CC1CCCCCC1 ZINC001360273081 1053207377 /nfs/dbraw/zinc/20/73/77/1053207377.db2.gz BCYFNKKIYJBHDL-UHFFFAOYSA-N 0 0 302.462 4.038 20 10 DICDRN CCC[C@@H](CC(C)C)C(=O)NCc1ccc(N(C)C)cc1C ZINC001360273059 1053207617 /nfs/dbraw/zinc/20/76/17/1053207617.db2.gz AKHOIFPQOXUTRF-INIZCTEOSA-N 0 0 304.478 4.140 20 10 DICDRN C[C@H]1CCC[C@@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001351673131 1053209231 /nfs/dbraw/zinc/20/92/31/1053209231.db2.gz ILNFIKGHNKWQLB-FUHWJXTLSA-N 0 0 314.473 4.072 20 10 DICDRN C[C@H]1CCC[C@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001351673138 1053209291 /nfs/dbraw/zinc/20/92/91/1053209291.db2.gz ILNFIKGHNKWQLB-WMZOPIPTSA-N 0 0 314.473 4.072 20 10 DICDRN C/C(=C/c1cccnc1)C(=O)N(C)c1cc(Cl)cc(Cl)c1 ZINC001360337828 1053215041 /nfs/dbraw/zinc/21/50/41/1053215041.db2.gz NZQJBJPIFKUBDU-WDZFZDKYSA-N 0 0 321.207 4.455 20 10 DICDRN CN(C)c1ccc(CNC(=O)C(C)(C)C2CCCCC2)cc1F ZINC001351737702 1053217958 /nfs/dbraw/zinc/21/79/58/1053217958.db2.gz GAIMJABYIYBLRB-UHFFFAOYSA-N 0 0 320.452 4.114 20 10 DICDRN COCC(COC)Oc1ccc(/N=N/c2ccccc2)cc1 ZINC001229009042 1053222925 /nfs/dbraw/zinc/22/29/25/1053222925.db2.gz ZRKFUFXKRNTEPK-VHEBQXMUSA-N 0 0 300.358 4.142 20 10 DICDRN Nc1ccc(Cc2ccc(Nc3ccc(F)c(N)c3)cc2)cc1 ZINC001212343262 1053226024 /nfs/dbraw/zinc/22/60/24/1053226024.db2.gz FUSFBHQABLEWBJ-UHFFFAOYSA-N 0 0 307.372 4.325 20 10 DICDRN CCN(CC)c1ccc(CN(C)Cc2ncoc2C(C)C)cc1 ZINC001319752391 1053270496 /nfs/dbraw/zinc/27/04/96/1053270496.db2.gz FQXOBSWVPWIMGX-UHFFFAOYSA-N 0 0 315.461 4.276 20 10 DICDRN CS[C@@H]1CC[C@H]([N@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001319829543 1053278613 /nfs/dbraw/zinc/27/86/13/1053278613.db2.gz ZKGAGSVPHFADLR-NWDGAFQWSA-N 0 0 320.285 4.415 20 10 DICDRN CCCN(CC1CC1)C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001352104509 1053279696 /nfs/dbraw/zinc/27/96/96/1053279696.db2.gz LNHAVCKZSUAXRS-UHFFFAOYSA-N 0 0 324.468 4.285 20 10 DICDRN C[N@H+](Cc1cc2ccccc2[nH]1)Cc1cccc(Cl)c1[O-] ZINC001319934387 1053285940 /nfs/dbraw/zinc/28/59/40/1053285940.db2.gz GILFNHKBDVVCDF-UHFFFAOYSA-N 0 0 300.789 4.159 20 10 DICDRN CC[C@H]1CCCC[C@@H]1CNC(=O)NCc1cccc(Cl)c1O ZINC001229282685 1053291252 /nfs/dbraw/zinc/29/12/52/1053291252.db2.gz IVHXYFGZEBTEKI-QWHCGFSZSA-N 0 0 324.852 4.061 20 10 DICDRN CC(C)c1ocnc1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001319996783 1053292072 /nfs/dbraw/zinc/29/20/72/1053292072.db2.gz LUPKAJUXPHKROM-UHFFFAOYSA-N 0 0 313.445 4.029 20 10 DICDRN c1ccc(/N=N/c2c(OC3COC3)ccc3ccccc32)nc1 ZINC001229449258 1053323494 /nfs/dbraw/zinc/32/34/94/1053323494.db2.gz BHFOAXCLOKPQBC-QZQOTICOSA-N 0 0 305.337 4.428 20 10 DICDRN Cc1cnc(CNC(=S)Nc2cccc(Cl)c2C)c(C)c1 ZINC000242609316 1053344981 /nfs/dbraw/zinc/34/49/81/1053344981.db2.gz CLTMJHVZAJLHPJ-UHFFFAOYSA-N 0 0 319.861 4.147 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCCC(C)C ZINC001542370707 1053356358 /nfs/dbraw/zinc/35/63/58/1053356358.db2.gz AAEXJXZRKJPVLJ-UHFFFAOYSA-N 0 0 304.478 4.318 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC001352601241 1053365261 /nfs/dbraw/zinc/36/52/61/1053365261.db2.gz PZCWTCXLWHJWKR-IFXJQAMLSA-N 0 0 310.441 4.403 20 10 DICDRN C[C@H]([NH2+]CCc1ccc(OC(C)(C)C)cc1)c1ccccc1O ZINC001320873425 1053370958 /nfs/dbraw/zinc/37/09/58/1053370958.db2.gz LDLNICGAXBVOQA-HNNXBMFYSA-N 0 0 313.441 4.463 20 10 DICDRN Cc1ccc(CNC(=S)Nc2cccc3ccccc32)nc1 ZINC001200109205 1053387813 /nfs/dbraw/zinc/38/78/13/1053387813.db2.gz XMUZWUHIVWTLEJ-UHFFFAOYSA-N 0 0 307.422 4.030 20 10 DICDRN O=C1C=CC(=NNc2ccccc2)C(O[C@@H]2CCOC[C@H]2F)=C1 ZINC001229813939 1053409365 /nfs/dbraw/zinc/40/93/65/1053409365.db2.gz CBZINOBPMNJGKQ-VALQDXLZSA-N 0 0 316.332 4.313 20 10 DICDRN CC[C@@H]([NH2+]C[C@H](OC)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC001321903469 1053442262 /nfs/dbraw/zinc/44/22/62/1053442262.db2.gz HOOCXAONAUPCPO-AEFFLSMTSA-N 0 0 321.367 4.099 20 10 DICDRN CCc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)cc1CC ZINC001435118512 1053446512 /nfs/dbraw/zinc/44/65/12/1053446512.db2.gz NAJCKAQEGWUXRF-UHFFFAOYSA-N 0 0 324.468 4.116 20 10 DICDRN Cc1cccc(CNC(=S)Nc2c(C)cccc2Cl)c1O ZINC001200211990 1053471283 /nfs/dbraw/zinc/47/12/83/1053471283.db2.gz MMBWZDUMIBRSTD-UHFFFAOYSA-N 0 0 320.845 4.149 20 10 DICDRN Cc1cc(-c2nnc([C@@H]3CO[C@H](C)C3)o2)c(C)n1-c1ccccc1 ZINC001322245841 1053472428 /nfs/dbraw/zinc/47/24/28/1053472428.db2.gz USWOGGMHQYMSNJ-HIFRSBDPSA-N 0 0 323.396 4.037 20 10 DICDRN CCCCc1ccc(NC(=S)NCc2cc(C)ccn2)cc1 ZINC000243831790 1053493189 /nfs/dbraw/zinc/49/31/89/1053493189.db2.gz QZEDYEQDMVKNFA-UHFFFAOYSA-N 0 0 313.470 4.219 20 10 DICDRN Cc1ccncc1/C=C\C(=O)N1CCCCCc2ccccc21 ZINC001435314793 1053508341 /nfs/dbraw/zinc/50/83/41/1053508341.db2.gz IOZJVCWLJOAMDY-KHPPLWFESA-N 0 0 306.409 4.163 20 10 DICDRN CCC(CC)(CC)CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001230289649 1053511724 /nfs/dbraw/zinc/51/17/24/1053511724.db2.gz BIADPNHYVYPDPI-HNNXBMFYSA-N 0 0 319.493 4.329 20 10 DICDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001353247260 1053519972 /nfs/dbraw/zinc/51/99/72/1053519972.db2.gz XWDKRBJFBDPKNF-YWZLYKJASA-N 0 0 316.489 4.140 20 10 DICDRN CC[C@H]([NH2+][C@H]1CC[C@H](OC)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC001322702140 1053536761 /nfs/dbraw/zinc/53/67/61/1053536761.db2.gz FCQIKZUXFKXNOC-MJVIPROJSA-N 0 0 318.244 4.307 20 10 DICDRN Cc1cc(CC(=O)N(C)[C@@H](C)C2(C)CC2)c(C)n1-c1ccccc1 ZINC001435424142 1053551049 /nfs/dbraw/zinc/55/10/49/1053551049.db2.gz OPHALKWEEGMTBG-KRWDZBQOSA-N 0 0 324.468 4.284 20 10 DICDRN CCCCN(C(=O)/C=C/c1scnc1C)c1ccccc1 ZINC001124462979 1053571850 /nfs/dbraw/zinc/57/18/50/1053571850.db2.gz QYUIHNFERIDHDA-ZHACJKMWSA-N 0 0 300.427 4.298 20 10 DICDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)[C@@]1(F)CCOC1 ZINC001323306221 1053573392 /nfs/dbraw/zinc/57/33/92/1053573392.db2.gz WXYALNKOVMJZLX-QGZVFWFLSA-N 0 0 313.332 4.169 20 10 DICDRN O=C(Nc1c2nonc2ccc1Cl)c1sccc1C1CC1 ZINC001323419139 1053580674 /nfs/dbraw/zinc/58/06/74/1053580674.db2.gz MZAQJEXNKUPEAC-UHFFFAOYSA-N 0 0 319.773 4.067 20 10 DICDRN C[C@@H]([NH2+]CCc1c(F)cccc1Cl)c1ccc(F)cc1[O-] ZINC001323830422 1053603471 /nfs/dbraw/zinc/60/34/71/1053603471.db2.gz ROOINPOIGSVYSG-SNVBAGLBSA-N 0 0 311.759 4.217 20 10 DICDRN Cc1ncccc1/C=C\C(=O)N(C)c1c(Cl)cccc1Cl ZINC001435621098 1053620416 /nfs/dbraw/zinc/62/04/16/1053620416.db2.gz UOIGPLRZRYDBGB-HJWRWDBZSA-N 0 0 321.207 4.373 20 10 DICDRN Cc1cc(CC(=O)N[C@@H](C)CC(C)C)c(C)n1-c1ccccc1 ZINC001435629479 1053623898 /nfs/dbraw/zinc/62/38/98/1053623898.db2.gz OREYNGVUUYYQLX-HNNXBMFYSA-N 0 0 312.457 4.187 20 10 DICDRN Oc1ccc(F)cc1C[N@@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000183292052 1053628835 /nfs/dbraw/zinc/62/88/35/1053628835.db2.gz MRDZSQFHEIHXPJ-QGZVFWFLSA-N 0 0 300.377 4.044 20 10 DICDRN Cc1cccc(CNC(=S)Nc2c(C)cccc2C(C)C)n1 ZINC001200398749 1053631234 /nfs/dbraw/zinc/63/12/34/1053631234.db2.gz YFTDKPBFUMWCPE-UHFFFAOYSA-N 0 0 313.470 4.308 20 10 DICDRN Cc1cccc(C(C)C)c1NC(=S)Nc1cccc(O)c1O ZINC001200402366 1053634331 /nfs/dbraw/zinc/63/43/31/1053634331.db2.gz SHHZRHCZNFVWJL-UHFFFAOYSA-N 0 0 316.426 4.339 20 10 DICDRN C/C(=C/C1CCC(C)CC1)C(=O)NCc1cc(Cl)ccc1O ZINC001300396507 1053659151 /nfs/dbraw/zinc/65/91/51/1053659151.db2.gz WIXOYNKLGHUBSG-LCYFTJDESA-N 0 0 321.848 4.434 20 10 DICDRN CC(C)=CCC[C@@H](C)CC(=O)NCc1cc(Cl)ccc1O ZINC001300396475 1053659847 /nfs/dbraw/zinc/65/98/47/1053659847.db2.gz VMLCWDSGOPZIKW-CYBMUJFWSA-N 0 0 309.837 4.434 20 10 DICDRN FCCOc1ccccc1NCc1ccc(N2CCCC2)cc1 ZINC001324661630 1053669466 /nfs/dbraw/zinc/66/94/66/1053669466.db2.gz GMAOCGLZVBDBQS-UHFFFAOYSA-N 0 0 314.404 4.247 20 10 DICDRN Cc1cc(Cl)cnc1NCc1ccc(N2CCCC2)cc1 ZINC001324678146 1053671560 /nfs/dbraw/zinc/67/15/60/1053671560.db2.gz WPRKURPMYUZJFR-UHFFFAOYSA-N 0 0 301.821 4.256 20 10 DICDRN C[C@H](NC(=O)Nc1ccc2cc[nH]c2c1)c1ccc(N(C)C)cc1 ZINC001324873976 1053685149 /nfs/dbraw/zinc/68/51/49/1053685149.db2.gz QUMCTDMOXAAIQW-ZDUSSCGKSA-N 0 0 322.412 4.117 20 10 DICDRN C[C@@H]([NH2+]CCCOc1cccc2cccnc21)c1ccccc1O ZINC000183602622 1053688047 /nfs/dbraw/zinc/68/80/47/1053688047.db2.gz CHSJPZHJPQIDEK-OAHLLOKOSA-N 0 0 322.408 4.060 20 10 DICDRN C[C@H](Nc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1O ZINC000183648429 1053710898 /nfs/dbraw/zinc/71/08/98/1053710898.db2.gz DGTSDYFWIRJIQX-ZDUSSCGKSA-N 0 0 322.364 4.411 20 10 DICDRN Cc1csc(CCC[NH2+][C@H](C)c2ccc(Cl)cc2[O-])n1 ZINC001325314221 1053712639 /nfs/dbraw/zinc/71/26/39/1053712639.db2.gz WCGMSPXIPVCBMF-LLVKDONJSA-N 0 0 310.850 4.094 20 10 DICDRN CSc1ccc(N[C@@H]2C[C@@H](C)c3c2c(O)ccc3C)nc1 ZINC001325355776 1053716345 /nfs/dbraw/zinc/71/63/45/1053716345.db2.gz DHVBFBNAKJYKLT-DGCLKSJQSA-N 0 0 300.427 4.478 20 10 DICDRN CC[C@@H](Oc1ccc(NN=C2C=CC(=O)C=C2)cc1)C(=O)OC ZINC001231320556 1053726380 /nfs/dbraw/zinc/72/63/80/1053726380.db2.gz PIOPSXQJKLOGGT-MRXNPFEDSA-N 0 0 314.341 4.138 20 10 DICDRN C[C@H](NC(=O)[C@H]1CCCC[C@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC001435952956 1053735259 /nfs/dbraw/zinc/73/52/59/1053735259.db2.gz DCCDUHNXQIYWDH-JVPBZIDWSA-N 0 0 314.473 4.146 20 10 DICDRN Cc1cc(CC(=O)NCc2ccsc2)c(C)n1-c1ccccc1 ZINC001354104540 1053767384 /nfs/dbraw/zinc/76/73/84/1053767384.db2.gz GJBCBUUZDBVQAA-UHFFFAOYSA-N 0 0 324.449 4.015 20 10 DICDRN CC(C)[N@H+](Cc1cc(C(=O)[O-])ccc1O)[C@@H](C)c1ccccc1 ZINC001231568564 1053787332 /nfs/dbraw/zinc/78/73/32/1053787332.db2.gz MZVORNVWQANFNR-AWEZNQCLSA-N 0 0 313.397 4.062 20 10 DICDRN C[C@@H](CCC(C)(C)C)C(=O)Nc1c2nonc2ccc1Cl ZINC001436139455 1053791460 /nfs/dbraw/zinc/79/14/60/1053791460.db2.gz YFGRHKOLUQZTCJ-VIFPVBQESA-N 0 0 309.797 4.277 20 10 DICDRN Oc1ccc2ccccc2c1CN1CCC[C@H](F)C(F)(F)C1 ZINC001231588041 1053791730 /nfs/dbraw/zinc/79/17/30/1053791730.db2.gz LMLVFEBAQCCWSH-INIZCTEOSA-N 0 0 309.331 4.115 20 10 DICDRN COc1ccc(N(CCC(C)C)C(=O)/C=C\c2cccnc2)cc1 ZINC001436152474 1053794583 /nfs/dbraw/zinc/79/45/83/1053794583.db2.gz SDICENFYFCILOF-WDZFZDKYSA-N 0 0 324.424 4.183 20 10 DICDRN Cc1ccc(Cl)cc1C(=O)Nc1c2nonc2ccc1Cl ZINC001327166452 1053839165 /nfs/dbraw/zinc/83/91/65/1053839165.db2.gz IYVXABVTYBWZMJ-UHFFFAOYSA-N 0 0 322.151 4.090 20 10 DICDRN CC[C@H](C)CCCCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001354371244 1053842786 /nfs/dbraw/zinc/84/27/86/1053842786.db2.gz LRBZDFCNNZMTCP-HNNXBMFYSA-N 0 0 318.461 4.085 20 10 DICDRN COc1cccc(N(CC(C)C)C(=O)/C=C\c2cccnc2C)c1 ZINC001354387982 1053846838 /nfs/dbraw/zinc/84/68/38/1053846838.db2.gz HSEKSXXTXRHIRI-KHPPLWFESA-N 0 0 324.424 4.101 20 10 DICDRN COc1cc(C)c(N[C@@H](C)c2ccc(F)cc2O)cc1OC ZINC000273505223 1053851890 /nfs/dbraw/zinc/85/18/90/1053851890.db2.gz QXECVMOHYDCGDH-NSHDSACASA-N 0 0 305.349 4.030 20 10 DICDRN CN(C)c1ccc(CNc2cc(Cl)nc(C3CCC3)n2)cc1 ZINC001472643594 1053864033 /nfs/dbraw/zinc/86/40/33/1053864033.db2.gz OBTPUDLMKZULCN-UHFFFAOYSA-N 0 0 316.836 4.076 20 10 DICDRN C[N@H+](Cc1cc2ccccc2[nH]1)Cc1cc(Cl)c(F)cc1[O-] ZINC001327869608 1053887509 /nfs/dbraw/zinc/88/75/09/1053887509.db2.gz XUZYOENVOZBKBZ-UHFFFAOYSA-N 0 0 318.779 4.298 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)COc1ccccc1F)c1ccc(F)cc1[O-] ZINC001327891933 1053891782 /nfs/dbraw/zinc/89/17/82/1053891782.db2.gz QSHAEKCMTDRMQE-MLGOLLRUSA-N 0 0 321.367 4.179 20 10 DICDRN CC[C@H]([NH2+][C@H](C)COc1ccccc1F)c1ccc(F)cc1[O-] ZINC001327891935 1053892784 /nfs/dbraw/zinc/89/27/84/1053892784.db2.gz QSHAEKCMTDRMQE-WBMJQRKESA-N 0 0 321.367 4.179 20 10 DICDRN Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCc3ccccc32)cc1Cl ZINC001231871964 1053897207 /nfs/dbraw/zinc/89/72/07/1053897207.db2.gz SOFLGBOHAKETMG-QGZVFWFLSA-N 0 0 301.817 4.473 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)C2(C)CCCCC2)cc1 ZINC001354540786 1053901549 /nfs/dbraw/zinc/90/15/49/1053901549.db2.gz JGCYPVPJPBVKQH-UHFFFAOYSA-N 0 0 302.462 4.119 20 10 DICDRN COc1cccc([C@@H]2CCC[N@@H+]2Cc2cccc(Cl)c2[O-])c1 ZINC001231912741 1053914256 /nfs/dbraw/zinc/91/42/56/1053914256.db2.gz WCLAANPHIVDXSJ-KRWDZBQOSA-N 0 0 317.816 4.391 20 10 DICDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCc2cccc(Cl)c2C1 ZINC001231915142 1053914497 /nfs/dbraw/zinc/91/44/97/1053914497.db2.gz ZXAIPBSBZFQOCK-UHFFFAOYSA-N 0 0 308.208 4.257 20 10 DICDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC001231911389 1053915893 /nfs/dbraw/zinc/91/58/93/1053915893.db2.gz CWFAMINIXBFCLG-INIZCTEOSA-N 0 0 302.805 4.168 20 10 DICDRN C[N@H+](Cc1cccc(Cl)c1[O-])Cc1cccc2cccnc21 ZINC001231911811 1053917728 /nfs/dbraw/zinc/91/77/28/1053917728.db2.gz NRIIQMACRZXONK-UHFFFAOYSA-N 0 0 312.800 4.226 20 10 DICDRN COc1ccc2c(c1)C[N@@H+](Cc1cccc(Cl)c1[O-])CCC2 ZINC001231915089 1053917784 /nfs/dbraw/zinc/91/77/84/1053917784.db2.gz YEHAWFHMIMFCRR-UHFFFAOYSA-N 0 0 317.816 4.003 20 10 DICDRN COc1cccc(CNc2cccc(OCC(C)C)c2)c1O ZINC000076272070 1053968997 /nfs/dbraw/zinc/96/89/97/1053968997.db2.gz JHUPTBYHTXFNRA-UHFFFAOYSA-N 0 0 301.386 4.048 20 10 DICDRN CC(C)c1cccc2c1N(C(=O)/C=C\c1cncc(F)c1)CCC2 ZINC001436812864 1053973631 /nfs/dbraw/zinc/97/36/31/1053973631.db2.gz JVOASOVNLSUREC-HJWRWDBZSA-N 0 0 324.399 4.337 20 10 DICDRN COc1cc(O)c(C[N@H+](C)CCCc2ccccc2)cc1Cl ZINC001232265631 1054006088 /nfs/dbraw/zinc/00/60/88/1054006088.db2.gz ZIQBVEGRPJDRMF-UHFFFAOYSA-N 0 0 319.832 4.119 20 10 DICDRN COc1cc(O)c(C[N@@H+]2CC[C@H](c3ccccc3)C2)cc1Cl ZINC001232266197 1054007695 /nfs/dbraw/zinc/00/76/95/1054007695.db2.gz KDAGRFPTNDKHHH-AWEZNQCLSA-N 0 0 317.816 4.044 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)C2CC(C(C)(C)C)C2)cc1 ZINC001355014815 1054031590 /nfs/dbraw/zinc/03/15/90/1054031590.db2.gz FRJHSIAVGAPTMU-UHFFFAOYSA-N 0 0 316.489 4.221 20 10 DICDRN CCN(Cc1ccccc1O)C(=S)Nc1ccccc1Cl ZINC001200856480 1054044435 /nfs/dbraw/zinc/04/44/35/1054044435.db2.gz JBYDOCQVHHUCJC-UHFFFAOYSA-N 0 0 320.845 4.265 20 10 DICDRN Cc1ncsc1/C=C\C(=O)N(CC1CCC1)c1ccccc1 ZINC001355074308 1054050288 /nfs/dbraw/zinc/05/02/88/1054050288.db2.gz ILOVMRPYDYHFGW-KHPPLWFESA-N 0 0 312.438 4.298 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC001437769615 1054092285 /nfs/dbraw/zinc/09/22/85/1054092285.db2.gz KIAFTUPOCMVZPN-HBFSDRIKSA-N 0 0 322.452 4.260 20 10 DICDRN CC[C@H]([NH2+]CCc1ncc(C)cc1C)c1cccc(Cl)c1[O-] ZINC000848560015 1054149570 /nfs/dbraw/zinc/14/95/70/1054149570.db2.gz IYFPBVMXEXNEEL-INIZCTEOSA-N 0 0 318.848 4.341 20 10 DICDRN CCCCN(C(=O)Cc1ccc(N)cc1)[C@@H](C)c1ccc(C)o1 ZINC001333309045 1054149783 /nfs/dbraw/zinc/14/97/83/1054149783.db2.gz JXUOUYASDVJRPK-HNNXBMFYSA-N 0 0 314.429 4.103 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)Cc1ccccn1)c1cccc(Cl)c1[O-] ZINC000848564479 1054150698 /nfs/dbraw/zinc/15/06/98/1054150698.db2.gz GSYLPPVWEZWOEB-LRDDRELGSA-N 0 0 304.821 4.113 20 10 DICDRN CC[C@H]([NH2+]Cc1cccc(C)c1OC)c1ccc(F)cc1[O-] ZINC000848559825 1054151831 /nfs/dbraw/zinc/15/18/31/1054151831.db2.gz GTDTUPJPIJWEIA-INIZCTEOSA-N 0 0 303.377 4.089 20 10 DICDRN C[C@H](Cc1ccccn1)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000848565817 1054152639 /nfs/dbraw/zinc/15/26/39/1054152639.db2.gz STXYHFWSFQBSRT-VXGBXAGGSA-N 0 0 324.346 4.088 20 10 DICDRN Cc1cc(CNC(=O)[C@@H]2CC=CCC2)c(C)n1-c1cccc(C)c1 ZINC001438311346 1054165138 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ZINC001233417771 1054265932 /nfs/dbraw/zinc/26/59/32/1054265932.db2.gz HVYPDAVIWOMKAL-UHFFFAOYSA-N 0 0 321.342 4.012 20 10 DICDRN Oc1c(CN2Cc3cccc(F)c3C2)cccc1C(F)(F)F ZINC001233418844 1054267448 /nfs/dbraw/zinc/26/74/48/1054267448.db2.gz YFYKSNPMPWJDTL-UHFFFAOYSA-N 0 0 311.278 4.066 20 10 DICDRN CCCC(=O)c1cc(O)c(O)cc1O[C@H]1CCC=CCCC1 ZINC001233497604 1054283220 /nfs/dbraw/zinc/28/32/20/1054283220.db2.gz PONHHHQVPZRMHI-ZDUSSCGKSA-N 0 0 304.386 4.348 20 10 DICDRN Cc1cc(C)cc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)c1 ZINC001356255343 1054309136 /nfs/dbraw/zinc/30/91/36/1054309136.db2.gz FWBGBEXFEBSMNY-UHFFFAOYSA-N 0 0 322.452 4.176 20 10 DICDRN Cc1ccccc1[C@H](C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001441186359 1054387526 /nfs/dbraw/zinc/38/75/26/1054387526.db2.gz KAHCZJKKAUAAGG-KRWDZBQOSA-N 0 0 322.452 4.015 20 10 DICDRN CSc1cccc(N(C)C(=O)c2ccccc2-c2cn[nH]c2)c1 ZINC001442868593 1054435287 /nfs/dbraw/zinc/43/52/87/1054435287.db2.gz MDPCVJYJFUHQKH-UHFFFAOYSA-N 0 0 323.421 4.075 20 10 DICDRN CCCCC[C@H](C)CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001357193279 1054435747 /nfs/dbraw/zinc/43/57/47/1054435747.db2.gz UIKRIFAKYVTNFH-AWEZNQCLSA-N 0 0 308.441 4.114 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cnc(C)s2)cc1 ZINC001357284400 1054451916 /nfs/dbraw/zinc/45/19/16/1054451916.db2.gz QONSTDZBMUXWRJ-UHFFFAOYSA-N 0 0 311.410 4.111 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)C[C@@H]2C=CCCC2)cc1F ZINC001443776090 1054460306 /nfs/dbraw/zinc/46/03/06/1054460306.db2.gz YMNLEOKPYPTDKG-OAHLLOKOSA-N 0 0 318.436 4.035 20 10 DICDRN CC(C)c1ccc(C(=O)Nc2c3nonc3ccc2Cl)cc1 ZINC001344042980 1054460881 /nfs/dbraw/zinc/46/08/81/1054460881.db2.gz SMXUFIFPLYRXLC-UHFFFAOYSA-N 0 0 315.760 4.252 20 10 DICDRN Cc1cc(CC(=O)N2CCC[C@H]2C(C)C)c(C)n1-c1ccccc1 ZINC001444723362 1054485011 /nfs/dbraw/zinc/48/50/11/1054485011.db2.gz NGSIZVXMBIKWDB-FQEVSTJZSA-N 0 0 324.468 4.284 20 10 DICDRN Cc1ccc([C@@H](C)[NH2+][C@@H](COCC(C)C)c2ccco2)c(O)c1 ZINC000185289190 1054513947 /nfs/dbraw/zinc/51/39/47/1054513947.db2.gz LASKVNRDXRKQQN-WBVHZDCISA-N 0 0 317.429 4.358 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001445654481 1054515825 /nfs/dbraw/zinc/51/58/25/1054515825.db2.gz LWJVVSJICTZMRD-OWCLPIDISA-N 0 0 303.446 4.203 20 10 DICDRN CC(=O)c1cc(O)c(O)cc1O[C@H]1CCc2cc(Cl)ccc21 ZINC001234473325 1054530286 /nfs/dbraw/zinc/53/02/86/1054530286.db2.gz CYPZTHZYYLCVNS-INIZCTEOSA-N 0 0 318.756 4.020 20 10 DICDRN Cc1cc(C(=O)NC2(C)CCC2)c(C)n1-c1cc(C)cc(C)c1 ZINC001446316545 1054534344 /nfs/dbraw/zinc/53/43/44/1054534344.db2.gz ZLCAHLZXHCMSAR-UHFFFAOYSA-N 0 0 310.441 4.383 20 10 DICDRN CC[C@H]1CCC[C@]1(C)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC001357724354 1054535194 /nfs/dbraw/zinc/53/51/94/1054535194.db2.gz RSNDHINVLIDLMI-PXNSSMCTSA-N 0 0 316.489 4.365 20 10 DICDRN CC[C@@H](CSC)NC(=O)c1sccc1-n1c(C)ccc1C ZINC001447026938 1054552706 /nfs/dbraw/zinc/55/27/06/1054552706.db2.gz LOZPWKHKXPECRY-ZDUSSCGKSA-N 0 0 322.499 4.027 20 10 DICDRN Cc1c(Cl)cccc1C(=O)Nc1c2nonc2ccc1Cl ZINC001346941255 1054553546 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Cc1noc(C)c1[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000073007288 1054607733 /nfs/dbraw/zinc/60/77/33/1054607733.db2.gz WZKRBBHISSEQQW-ZETCQYMHSA-N 0 0 315.200 4.155 20 10 DICDRN CCC[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C(C)C ZINC001358204933 1054621223 /nfs/dbraw/zinc/62/12/23/1054621223.db2.gz BHHLKSDNSDSQNU-IBGZPJMESA-N 0 0 316.489 4.316 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)Oc2cccc(F)c2)cc1 ZINC001348394966 1054635578 /nfs/dbraw/zinc/63/55/78/1054635578.db2.gz VDPNPOZKRAYDRD-UHFFFAOYSA-N 0 0 309.340 4.452 20 10 DICDRN Cc1cc2c(cn1)CN(Cc1cccc(-c3ccccc3)c1O)C2 ZINC001234994041 1054638299 /nfs/dbraw/zinc/63/82/99/1054638299.db2.gz DVOLJXRSVCBFQH-UHFFFAOYSA-N 0 0 316.404 4.278 20 10 DICDRN Oc1c(CN2CCC(F)(F)[C@H](F)C2)cccc1-c1ccccc1 ZINC001234997547 1054641523 /nfs/dbraw/zinc/64/15/23/1054641523.db2.gz BPRKTLLXRHYSII-MRXNPFEDSA-N 0 0 321.342 4.238 20 10 DICDRN C[C@@H]([NH2+]Cc1csc(-c2ccco2)n1)c1ccc(F)cc1[O-] ZINC000185803689 1054664333 /nfs/dbraw/zinc/66/43/33/1054664333.db2.gz XTZSJORTUDXCOL-SNVBAGLBSA-N 0 0 318.373 4.099 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC=C(Cl)Cl)cc1 ZINC001452536343 1054705947 /nfs/dbraw/zinc/70/59/47/1054705947.db2.gz LPUHTLMRDLIWCE-UHFFFAOYSA-N 0 0 323.223 4.143 20 10 DICDRN Cc1ccc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)c(C)c1 ZINC001349106488 1054718165 /nfs/dbraw/zinc/71/81/65/1054718165.db2.gz LGZXWHLLKKIRLQ-UHFFFAOYSA-N 0 0 322.452 4.176 20 10 DICDRN CC[C@@H]1CCC[C@@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001349117082 1054721595 /nfs/dbraw/zinc/72/15/95/1054721595.db2.gz IIJUEUMHBUNYHK-MJGOQNOKSA-N 0 0 314.473 4.072 20 10 DICDRN O=C(NCc1cc(Cl)ccc1O)c1cccc2ccsc21 ZINC001452935830 1054723229 /nfs/dbraw/zinc/72/32/29/1054723229.db2.gz LWSSTOBWRZOKER-UHFFFAOYSA-N 0 0 317.797 4.190 20 10 DICDRN CC(C)(C)c1ccc(CN2CCC[C@H]2C(F)(F)F)c(O)c1 ZINC001235676021 1054769803 /nfs/dbraw/zinc/76/98/03/1054769803.db2.gz NQMOGRCLUIUXFX-AWEZNQCLSA-N 0 0 301.352 4.216 20 10 DICDRN COc1cccc2c1CN(Cc1ccc(C(C)(C)C)cc1O)C2 ZINC001235677197 1054770713 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CCCC1(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CCC1 ZINC001585264313 1056518856 /nfs/dbraw/zinc/51/88/56/1056518856.db2.gz QYGGSISIQGQOOR-MRXNPFEDSA-N 0 0 316.489 4.079 20 10 DICDRN CCCC[C@H](CC)CN(C)c1cc(OC)c(OC)c(OC)c1 ZINC001615519299 1056525358 /nfs/dbraw/zinc/52/53/58/1056525358.db2.gz DFOFBBQYERQBNG-AWEZNQCLSA-N 0 0 309.450 4.365 20 10 DICDRN COc1ccc(O)c([C@@H](C)Nc2cnn(-c3ccccc3)c2C)c1 ZINC000186498951 1056534094 /nfs/dbraw/zinc/53/40/94/1056534094.db2.gz PVUQOBCRMUCMNZ-CYBMUJFWSA-N 0 0 323.396 4.068 20 10 DICDRN Cc1c(N[C@H](C)c2ccc(F)cc2O)cnn1-c1ccccc1 ZINC000186498910 1056534464 /nfs/dbraw/zinc/53/44/64/1056534464.db2.gz UDTTZBXYUNJUDY-GFCCVEGCSA-N 0 0 311.360 4.199 20 10 DICDRN CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])CCO1 ZINC000186502144 1056558673 /nfs/dbraw/zinc/55/86/73/1056558673.db2.gz LMIJKARJRUQTIU-PNPHSEOMSA-N 0 0 309.425 4.166 20 10 DICDRN Fc1cc(CSc2nccs2)ccc1Br ZINC000721951300 1056576743 /nfs/dbraw/zinc/57/67/43/1056576743.db2.gz RTZJZSLUIQXTPR-UHFFFAOYSA-N 0 0 304.209 4.337 20 10 DICDRN COC(=O)c1ccc(-c2ccc3ccn(C)c3c2)c2ncccc12 ZINC001240574521 1056583969 /nfs/dbraw/zinc/58/39/69/1056583969.db2.gz OVNDABAVGQQFOS-UHFFFAOYSA-N 0 0 316.360 4.180 20 10 DICDRN COC(=O)c1cc2cccc(-c3ccc4ccn(C)c4c3)c2[nH]1 ZINC001240574489 1056584180 /nfs/dbraw/zinc/58/41/80/1056584180.db2.gz NOIDEIWOONSTSG-UHFFFAOYSA-N 0 0 304.349 4.113 20 10 DICDRN Cn1ccc2ccc(-c3ccc4nnc(C5CCC5)n4c3)cc21 ZINC001240575840 1056585718 /nfs/dbraw/zinc/58/57/18/1056585718.db2.gz FOONEOLCVSFPEB-UHFFFAOYSA-N 0 0 302.381 4.156 20 10 DICDRN Cc1ccncc1/C=C/C(=O)N1CCc2cc(C(C)(C)C)ccc21 ZINC001585663577 1056599914 /nfs/dbraw/zinc/59/99/14/1056599914.db2.gz RVXKMFFGGFRXRT-VMPITWQZSA-N 0 0 320.436 4.290 20 10 DICDRN CCc1ccc(C(C)(C)c2nc(Cc3ccc(N)cc3)no2)cc1 ZINC000843158358 1056601709 /nfs/dbraw/zinc/60/17/09/1056601709.db2.gz BTFLTAGIPMREBY-UHFFFAOYSA-N 0 0 321.424 4.131 20 10 DICDRN CCc1ccc([C@H](C)Cc2nc(Cc3ccc(N)cc3)no2)cc1 ZINC000843159468 1056604359 /nfs/dbraw/zinc/60/43/59/1056604359.db2.gz 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ZINC001523638154 1059316282 /nfs/dbraw/zinc/31/62/82/1059316282.db2.gz AKNULTUTJTYOBA-GFCCVEGCSA-N 0 0 318.367 4.181 20 10 DICDRN CC1=C(C)C[C@](C)(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC001523639594 1059319026 /nfs/dbraw/zinc/31/90/26/1059319026.db2.gz RPBJAMBXEWNTEO-OXJNMPFZSA-N 0 0 314.473 4.456 20 10 DICDRN COc1cc(N(C)CC[C@H]2CCC[C@H](C)C2)cc(OC)c1OC ZINC001559542200 1059343312 /nfs/dbraw/zinc/34/33/12/1059343312.db2.gz MPJQDBHJEQCPOZ-LSDHHAIUSA-N 0 0 321.461 4.365 20 10 DICDRN COc1cc(N(C)CC[C@H]2CCC[C@@H](C)C2)cc(OC)c1OC ZINC001559542199 1059346539 /nfs/dbraw/zinc/34/65/39/1059346539.db2.gz MPJQDBHJEQCPOZ-HUUCEWRRSA-N 0 0 321.461 4.365 20 10 DICDRN COC1CC(c2nc(-c3ccc(-n4c(C)ccc4C)cc3)no2)C1 ZINC001247364580 1059404148 /nfs/dbraw/zinc/40/41/48/1059404148.db2.gz XGTSONXMCBBKKY-UHFFFAOYSA-N 0 0 323.396 4.037 20 10 DICDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1ccncc1Cl ZINC001559605190 1059440556 /nfs/dbraw/zinc/44/05/56/1059440556.db2.gz HMWOSDIMCRIVLG-UHFFFAOYSA-N 0 0 324.758 4.289 20 10 DICDRN CC(=O)c1cc(F)cc(C[N@@H+](C(C)C)C2CCCCC2)c1[O-] ZINC001559623211 1059452134 /nfs/dbraw/zinc/45/21/34/1059452134.db2.gz MGZSNPWVSNBFEQ-UHFFFAOYSA-N 0 0 307.409 4.277 20 10 DICDRN COc1ccc(N(C)Cc2c(F)cccc2[N+](=O)[O-])cc1Cl ZINC001559624524 1059452442 /nfs/dbraw/zinc/45/24/42/1059452442.db2.gz NAXBKFIENGXUPA-UHFFFAOYSA-N 0 0 324.739 4.032 20 10 DICDRN COc1ccc2c(c1)CCCCN2Cc1cccc(Cl)n1 ZINC001559659174 1059488962 /nfs/dbraw/zinc/48/89/62/1059488962.db2.gz CIZXELZJNBDULH-UHFFFAOYSA-N 0 0 302.805 4.087 20 10 DICDRN Cc1cc(CC(=O)NCC2(C(C)C)CC2)c(C)n1-c1ccccc1 ZINC001524687920 1059576328 /nfs/dbraw/zinc/57/63/28/1059576328.db2.gz VKMBAJULGWPCMZ-UHFFFAOYSA-N 0 0 324.468 4.189 20 10 DICDRN CN(CCc1cccnc1)c1ccc(OCc2ccccc2)cc1 ZINC001559755566 1059590276 /nfs/dbraw/zinc/59/02/76/1059590276.db2.gz DOOVLHHUTUMVPN-UHFFFAOYSA-N 0 0 318.420 4.340 20 10 DICDRN CCCCc1ccc(N(C)C(=O)/C=C\c2cnccc2C)cc1 ZINC001532444162 1059632730 /nfs/dbraw/zinc/63/27/30/1059632730.db2.gz RIJFNQNGOGRZIL-XFXZXTDPSA-N 0 0 308.425 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/nfs/dbraw/zinc/12/53/03/1060125303.db2.gz MSHGFKWFZYKUSC-UHFFFAOYSA-N 0 0 317.864 4.050 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCC(C)(C)C2)cc1 ZINC001526125596 1060139681 /nfs/dbraw/zinc/13/96/81/1060139681.db2.gz KONHINUGWPEFGI-QGZVFWFLSA-N 0 0 310.441 4.403 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)C(CC)(CC)CC)cc1 ZINC001534245940 1060191024 /nfs/dbraw/zinc/19/10/24/1060191024.db2.gz NOIDVXPLHDWUSG-UHFFFAOYSA-N 0 0 304.478 4.365 20 10 DICDRN COc1cc(C)c(NC/C=C\c2ccc(N(C)C)cc2)cc1F ZINC001560443141 1060230746 /nfs/dbraw/zinc/23/07/46/1060230746.db2.gz PTWKBIYZWHDVLV-WAYWQWQTSA-N 0 0 314.404 4.334 20 10 DICDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC001560445422 1060237614 /nfs/dbraw/zinc/23/76/14/1060237614.db2.gz VEIKTKJXBJKMMH-YOEHRIQHSA-N 0 0 317.379 4.171 20 10 DICDRN CCC1(CC)CN(C(=O)/C=C/c2cncc(F)c2)c2ccccc21 ZINC001534421078 1060264162 /nfs/dbraw/zinc/26/41/62/1060264162.db2.gz HXVGMVJMNMUCRR-MDZDMXLPSA-N 0 0 324.399 4.339 20 10 DICDRN CCOc1ccc(NC/C=C\c2ccc(N(C)C)cc2)c(F)c1 ZINC001560508554 1060308072 /nfs/dbraw/zinc/30/80/72/1060308072.db2.gz ANUGQYSKHQEOKR-WAYWQWQTSA-N 0 0 314.404 4.416 20 10 DICDRN Cc1cncc(/C=C/C(=O)N2CCC(C)(C)c3ccccc32)c1 ZINC001534707816 1060345356 /nfs/dbraw/zinc/34/53/56/1060345356.db2.gz BUDBMAOMWBVTCV-CMDGGOBGSA-N 0 0 306.409 4.118 20 10 DICDRN COc1ccc(CNCC(F)(F)c2ccc(F)cc2)cc1C ZINC001560545123 1060355380 /nfs/dbraw/zinc/35/53/80/1060355380.db2.gz VXQUTQFQKNNCRQ-UHFFFAOYSA-N 0 0 309.331 4.024 20 10 DICDRN CCC[C@@H]1C[C@H]1C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001534766054 1060363721 /nfs/dbraw/zinc/36/37/21/1060363721.db2.gz IRCJEWYEPAHRKG-VQIMIIECSA-N 0 0 310.441 4.147 20 10 DICDRN Cc1cc(CNC(=O)C[C@@H]2C=CCCC2)c(C)n1-c1ccccc1 ZINC001534765603 1060364144 /nfs/dbraw/zinc/36/41/44/1060364144.db2.gz GYSHQMHPQAVVNR-GOSISDBHSA-N 0 0 322.452 4.457 20 10 DICDRN Cc1cc(CNC(=O)C[C@H](C)C2CC2)c(C)n1-c1ccccc1 ZINC001534765076 1060364710 /nfs/dbraw/zinc/36/47/10/1060364710.db2.gz CKDFOEIQZUMAOS-AWEZNQCLSA-N 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320.374 4.348 20 10 DICDRN CCOc1cc(Sc2ncc(C(C)(C)C)s2)nc(C)n1 ZINC001458248463 1061658395 /nfs/dbraw/zinc/65/83/95/1061658395.db2.gz PFLQUZCCGBQXIR-UHFFFAOYSA-N 0 0 309.460 4.089 20 10 DICDRN Cc1nn(-c2ccccc2)cc1NCc1c(O)cccc1Cl ZINC001474108337 1061659034 /nfs/dbraw/zinc/65/90/34/1061659034.db2.gz ORKSGQVBFIBLKR-UHFFFAOYSA-N 0 0 313.788 4.152 20 10 DICDRN Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C)c(C)n1-c1ccccc1C ZINC001464980978 1061660025 /nfs/dbraw/zinc/66/00/25/1061660025.db2.gz CBTFGXWJWOMNJI-UGSOOPFHSA-N 0 0 310.441 4.321 20 10 DICDRN Cc1ccc(/N=N/c2ccc(C)c(NS(C)(=O)=O)c2)cc1 ZINC001252726704 1061704363 /nfs/dbraw/zinc/70/43/63/1061704363.db2.gz FREKCHFDXCAEPN-WUKNDPDISA-N 0 0 303.387 4.090 20 10 DICDRN CC[C@@H]1CCC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC001465273146 1061723119 /nfs/dbraw/zinc/72/31/19/1061723119.db2.gz FZURFLRKWFNFJM-PWSUYJOCSA-N 0 0 319.426 4.011 20 10 DICDRN CC[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCCO1 ZINC001474193376 1061742703 /nfs/dbraw/zinc/74/27/03/1061742703.db2.gz IVPYCNUGTGMKII-UONOGXRCSA-N 0 0 318.244 4.136 20 10 DICDRN CC[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCCO1 ZINC001474193377 1061742808 /nfs/dbraw/zinc/74/28/08/1061742808.db2.gz IVPYCNUGTGMKII-ZIAGYGMSSA-N 0 0 318.244 4.136 20 10 DICDRN Cc1cc(C(=O)N2C[C@H](C)[C@H](C)C2)c(C)n1-c1ccccc1C ZINC001465401886 1061746313 /nfs/dbraw/zinc/74/63/13/1061746313.db2.gz URHDQQUHMSZAPV-GASCZTMLSA-N 0 0 310.441 4.131 20 10 DICDRN Cc1ccc(O)c(CNc2ncnc3c4ccccc4oc32)c1 ZINC001458495328 1061799699 /nfs/dbraw/zinc/79/96/99/1061799699.db2.gz DSDRADCUJVLEDX-UHFFFAOYSA-N 0 0 305.337 4.002 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[C@H](C)[C@H]1C ZINC001465729655 1061802190 /nfs/dbraw/zinc/80/21/90/1061802190.db2.gz SKDWURKVGAACNT-WMLDXEAASA-N 0 0 310.441 4.273 20 10 DICDRN CC[C@@H](C)CCCCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001465954450 1061848983 /nfs/dbraw/zinc/84/89/83/1061848983.db2.gz PVCXLEOYWQMMNN-OAHLLOKOSA-N 0 0 317.473 4.494 20 10 DICDRN COc1ccc(O)c([C@@H](C)NC(=O)/C(F)=C/C2CCCCC2)c1 ZINC001465993772 1061854344 /nfs/dbraw/zinc/85/43/44/1061854344.db2.gz WMCOZTSEGAGIDX-YUSFRKCESA-N 0 0 321.392 4.012 20 10 DICDRN CC1(C)CCC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])O1 ZINC001474290173 1061858374 /nfs/dbraw/zinc/85/83/74/1061858374.db2.gz FVUAGAZUBYAKPA-GFCCVEGCSA-N 0 0 318.244 4.136 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCC1CCC(F)(F)CC1 ZINC001474295207 1061864031 /nfs/dbraw/zinc/86/40/31/1061864031.db2.gz YTCKBQODUGLMJZ-UHFFFAOYSA-N 0 0 321.770 4.490 20 10 DICDRN Cc1cccnc1[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC001474298114 1061867559 /nfs/dbraw/zinc/86/75/59/1061867559.db2.gz MDJLTWXAPBHPOH-SNVBAGLBSA-N 0 0 311.212 4.253 20 10 DICDRN CCC1(CC)[C@H]([N@H+](C)Cc2cccc(Cl)c2[O-])C[C@@H]1OC ZINC001474321151 1061899216 /nfs/dbraw/zinc/89/92/16/1061899216.db2.gz ZVUVSYTUOYHQJE-CABCVRRESA-N 0 0 311.853 4.071 20 10 DICDRN Cn1c(-c2ccccc2)cnc1SC[C@@H]1CC[C@@H](C2CC2)O1 ZINC001458857248 1061920448 /nfs/dbraw/zinc/92/04/48/1061920448.db2.gz PCKRTKDAAYLNLD-RDJZCZTQSA-N 0 0 314.454 4.137 20 10 DICDRN Cc1ccccc1C[C@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001474347405 1061953414 /nfs/dbraw/zinc/95/34/14/1061953414.db2.gz QXXVBTPNIDWPLL-MRXNPFEDSA-N 0 0 317.379 4.186 20 10 DICDRN CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC001474351040 1061962539 /nfs/dbraw/zinc/96/25/39/1061962539.db2.gz SHVZNQSHOKNSOE-INIZCTEOSA-N 0 0 303.833 4.499 20 10 DICDRN C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC001474355352 1061969131 /nfs/dbraw/zinc/96/91/31/1061969131.db2.gz KTJIOCISNLCYOD-BBRMVZONSA-N 0 0 301.817 4.424 20 10 DICDRN CCS[C@H]1CC[C@@H]([N@H+](C)Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001474360470 1061986199 /nfs/dbraw/zinc/98/61/99/1061986199.db2.gz QDZGVBULGRWDTJ-NEPJUHHUSA-N 0 0 317.857 4.291 20 10 DICDRN CCN(CC(F)F)C(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001466756931 1061999377 /nfs/dbraw/zinc/99/93/77/1061999377.db2.gz WHNPVIKHZZFHAV-UHFFFAOYSA-N 0 0 320.383 4.130 20 10 DICDRN C=Cn1cc(CN(Cc2ccccc2)c2ccc(OC)cc2)cn1 ZINC001474386828 1062038264 /nfs/dbraw/zinc/03/82/64/1062038264.db2.gz UJXDWMAMWAAFNG-UHFFFAOYSA-N 0 0 319.408 4.199 20 10 DICDRN Cc1ccncc1/C=C\C(=O)N(CC(C)(C)C)c1ccccc1 ZINC001459223269 1062046529 /nfs/dbraw/zinc/04/65/29/1062046529.db2.gz HQDBNVFYQHDONZ-KHPPLWFESA-N 0 0 308.425 4.483 20 10 DICDRN [O-]c1c(F)cc(F)cc1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC001474400508 1062058718 /nfs/dbraw/zinc/05/87/18/1062058718.db2.gz WZADMCFKYQMCLR-UHFFFAOYSA-N 0 0 317.379 4.125 20 10 DICDRN Oc1cc(F)c(F)cc1CN(Cc1ccco1)Cc1ccco1 ZINC001474405013 1062063522 /nfs/dbraw/zinc/06/35/22/1062063522.db2.gz QUFBPXHANBDHHZ-UHFFFAOYSA-N 0 0 319.307 4.059 20 10 DICDRN CCCCOc1ccccc1CN(C)c1ccc2c(c1)OCO2 ZINC001474431484 1062107662 /nfs/dbraw/zinc/10/76/62/1062107662.db2.gz IUJACUSJAWXFBM-UHFFFAOYSA-N 0 0 313.397 4.231 20 10 DICDRN COc1ccc(N(C)Cc2c(C)cccc2Cl)cc1OC ZINC001459393060 1062122569 /nfs/dbraw/zinc/12/25/69/1062122569.db2.gz KWNHXAAOBRJSPU-UHFFFAOYSA-N 0 0 305.805 4.302 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H]1CCC[C@H]1C ZINC001467441015 1062130523 /nfs/dbraw/zinc/13/05/23/1062130523.db2.gz GMQBDNKIKRIPFO-IUODEOHRSA-N 0 0 316.470 4.322 20 10 DICDRN CCCC[C@@H](CC)CNC(=O)NCc1cccc(Cl)c1O ZINC001467617872 1062155790 /nfs/dbraw/zinc/15/57/90/1062155790.db2.gz SRSYYUVWISAJFT-GFCCVEGCSA-N 0 0 312.841 4.061 20 10 DICDRN CSc1ccccc1C[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC001474490388 1062171027 /nfs/dbraw/zinc/17/10/27/1062171027.db2.gz YYGQQUKSCVLLKF-UHFFFAOYSA-N 0 0 309.381 4.024 20 10 DICDRN Cc1cc(O)c(CN(C)Cc2cc(F)cc(F)c2)c(Cl)c1 ZINC001474496770 1062175593 /nfs/dbraw/zinc/17/55/93/1062175593.db2.gz WWDMZCRSXLKZBJ-UHFFFAOYSA-N 0 0 311.759 4.264 20 10 DICDRN [O-]c1c(C[NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)ccc(F)c1F ZINC001474497686 1062178646 /nfs/dbraw/zinc/17/86/46/1062178646.db2.gz LGOQSGDQRHNZAS-DOMZBBRYSA-N 0 0 321.342 4.235 20 10 DICDRN CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cc(C)cc(Br)c1[O-] ZINC001474505259 1062187179 /nfs/dbraw/zinc/18/71/79/1062187179.db2.gz RFRHBHXSFFABLN-YPMHNXCESA-N 0 0 312.251 4.226 20 10 DICDRN CCOc1cc(NCc2c(C)cc(OC)cc2O)ccc1C ZINC001474519567 1062201314 /nfs/dbraw/zinc/20/13/14/1062201314.db2.gz MXHCNWHDZPTJAN-UHFFFAOYSA-N 0 0 301.386 4.028 20 10 DICDRN C[C@H]([NH2+]C[C@@H]1CCc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC001254721687 1062240019 /nfs/dbraw/zinc/24/00/19/1062240019.db2.gz UQNKPPCZKHTZEQ-AAEUAGOBSA-N 0 0 303.352 4.051 20 10 DICDRN CCOCc1ccc(N[C@H](C)c2cc(F)cc(F)c2O)cc1 ZINC001254728984 1062240603 /nfs/dbraw/zinc/24/06/03/1062240603.db2.gz BFEOKCAVDAQVRK-LLVKDONJSA-N 0 0 307.340 4.380 20 10 DICDRN CCC[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(C)(C)C ZINC001468163938 1062273738 /nfs/dbraw/zinc/27/37/38/1062273738.db2.gz RLTBFLLNWWRRDB-OAHLLOKOSA-N 0 0 321.442 4.257 20 10 DICDRN CCC1(c2ccccc2)C[NH+](Cc2cccc(Cl)c2[O-])C1 ZINC001474573089 1062278116 /nfs/dbraw/zinc/27/81/16/1062278116.db2.gz PJMJGFOHDQGCHJ-UHFFFAOYSA-N 0 0 301.817 4.209 20 10 DICDRN COc1ccc(NCc2cccc(Cl)c2O)cc1SC ZINC001474572311 1062278693 /nfs/dbraw/zinc/27/86/93/1062278693.db2.gz DXFUCNGMKPWMHK-UHFFFAOYSA-N 0 0 309.818 4.388 20 10 DICDRN CC(C)=CCN(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC001459660252 1062281105 /nfs/dbraw/zinc/28/11/05/1062281105.db2.gz CBYKZZSVCTXKRQ-UHFFFAOYSA-N 0 0 315.438 4.492 20 10 DICDRN C[C@@](Cc1ccccc1)([NH2+]Cc1cc(F)c(F)cc1[O-])C1CC1 ZINC001474583501 1062294169 /nfs/dbraw/zinc/29/41/69/1062294169.db2.gz JZZKUYZWTIULGA-IBGZPJMESA-N 0 0 317.379 4.171 20 10 DICDRN Cc1ccccc1CC1C[NH+](Cc2cccc(Cl)c2[O-])C1 ZINC001474638034 1062362158 /nfs/dbraw/zinc/36/21/58/1062362158.db2.gz SYOFSANUQINNBU-UHFFFAOYSA-N 0 0 301.817 4.029 20 10 DICDRN CN(CCc1ccc2ccccc2c1)c1ccc2c(c1)OCO2 ZINC001459774010 1062390458 /nfs/dbraw/zinc/39/04/58/1062390458.db2.gz LKOOZYUETUVGII-UHFFFAOYSA-N 0 0 305.377 4.247 20 10 DICDRN Cc1cc(O)c(CNc2cccc3c2OCCCO3)c(Cl)c1 ZINC001474679589 1062410155 /nfs/dbraw/zinc/41/01/55/1062410155.db2.gz IPZMBSMDMXQPEX-UHFFFAOYSA-N 0 0 319.788 4.127 20 10 DICDRN COc1ccc(N(C[C@@H]2CC[C@@H](C3CC3)O2)C(C)C)cc1F ZINC001459800776 1062410487 /nfs/dbraw/zinc/41/04/87/1062410487.db2.gz QNPCSIIHVHXZGA-RDJZCZTQSA-N 0 0 307.409 4.007 20 10 DICDRN COc1ccc(N(C[C@H]2CC[C@H](C3CC3)O2)C(C)C)cc1F ZINC001459800775 1062411360 /nfs/dbraw/zinc/41/13/60/1062411360.db2.gz QNPCSIIHVHXZGA-NVXWUHKLSA-N 0 0 307.409 4.007 20 10 DICDRN COc1ccc(N(C)Cc2ccc(Cl)cc2F)c(OC)c1 ZINC001459801738 1062411640 /nfs/dbraw/zinc/41/16/40/1062411640.db2.gz XSDOCMWRTLGXDX-UHFFFAOYSA-N 0 0 309.768 4.133 20 10 DICDRN Cc1c2cc[nH]c2ncc1NCC=Cc1ccc(N(C)C)cc1 ZINC001474759067 1062466173 /nfs/dbraw/zinc/46/61/73/1062466173.db2.gz ZKJBXELEJMARQS-PLNGDYQASA-N 0 0 306.413 4.014 20 10 DICDRN C[C@@H](CC(F)(F)F)[NH2+]Cc1cc(Cl)c2cccnc2c1[O-] ZINC001255637057 1062491468 /nfs/dbraw/zinc/49/14/68/1062491468.db2.gz WTWSUZBTDJDDPW-QMMMGPOBSA-N 0 0 318.726 4.024 20 10 DICDRN CC(C)=C(C)CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001469303460 1062522558 /nfs/dbraw/zinc/52/25/58/1062522558.db2.gz QCDXFGOAXBVMCY-UHFFFAOYSA-N 0 0 300.446 4.040 20 10 DICDRN Cc1cc(C(=O)N(C)C(C)(C)C)c(C)n1-c1ccc(F)cc1 ZINC001469347093 1062533305 /nfs/dbraw/zinc/53/33/05/1062533305.db2.gz LZBOABSNLOKGJN-UHFFFAOYSA-N 0 0 302.393 4.104 20 10 DICDRN CCc1ncc(CN(CCC(C)C)c2ccc(OC)cc2)o1 ZINC001460054384 1062603099 /nfs/dbraw/zinc/60/30/99/1062603099.db2.gz LGJCHPIQHGHHMN-UHFFFAOYSA-N 0 0 302.418 4.298 20 10 DICDRN C[C@H](NC(=O)Nc1ncc(C(C)(C)C)s1)c1ccccc1O ZINC001476213924 1062604239 /nfs/dbraw/zinc/60/42/39/1062604239.db2.gz ATAFRSLWQVSFNE-JTQLQIEISA-N 0 0 319.430 4.029 20 10 DICDRN CC(C)Cc1ccc(NC(=O)N(C)Cc2ccccc2O)cc1 ZINC001476269137 1062616623 /nfs/dbraw/zinc/61/66/23/1062616623.db2.gz KXKJNYHIZSHNPJ-UHFFFAOYSA-N 0 0 312.413 4.255 20 10 DICDRN C[C@@H](NC(=O)N[C@H](C)C1CCCCCC1)c1ccccc1O ZINC001469743415 1062617809 /nfs/dbraw/zinc/61/78/09/1062617809.db2.gz DATCOFLSYHMLBN-ZIAGYGMSSA-N 0 0 304.434 4.111 20 10 DICDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)Nc1ccsc1 ZINC001476278684 1062618201 /nfs/dbraw/zinc/61/82/01/1062618201.db2.gz PGJFAJCUXZDHTE-UHFFFAOYSA-N 0 0 315.442 4.012 20 10 DICDRN CSc1cccc(NC(=O)N[C@H](C)c2ccccc2O)c1C ZINC001476338604 1062636023 /nfs/dbraw/zinc/63/60/23/1062636023.db2.gz SDHNZICLTDJPJB-GFCCVEGCSA-N 0 0 316.426 4.305 20 10 DICDRN Cc1cc(C(=O)N2C[C@H]3CCCC[C@H]32)c(C)n1-c1cccc(C)c1 ZINC001469828861 1062638837 /nfs/dbraw/zinc/63/88/37/1062638837.db2.gz LGLDGBBYYNOXIS-YLJYHZDGSA-N 0 0 322.452 4.417 20 10 DICDRN Cc1ccc(C(=O)NCc2cc(Cl)ccc2O)c(Cl)c1C ZINC001469876654 1062648219 /nfs/dbraw/zinc/64/82/19/1062648219.db2.gz JBCLYWBZUKFKIT-UHFFFAOYSA-N 0 0 324.207 4.246 20 10 DICDRN CCCN(C(=O)/C=C/c1cncc(F)c1)c1ccc(CC)cc1 ZINC001460190978 1062688026 /nfs/dbraw/zinc/68/80/26/1062688026.db2.gz RMCLXXVVJQRTLV-JXMROGBWSA-N 0 0 312.388 4.240 20 10 DICDRN Cc1cc(Cl)c(NC(=O)N(C)Cc2ccccc2O)cc1C ZINC001476630960 1062693494 /nfs/dbraw/zinc/69/34/94/1062693494.db2.gz UQNLRDZOQWOASV-UHFFFAOYSA-N 0 0 318.804 4.326 20 10 DICDRN CN(C[C@@H]1CC[C@@H](C2CC2)O1)c1ccc(-c2nccs2)cc1 ZINC001460209466 1062698616 /nfs/dbraw/zinc/69/86/16/1062698616.db2.gz UIGUZAUKKLOESL-IRXDYDNUSA-N 0 0 314.454 4.204 20 10 DICDRN CCc1ccc(N(CC2CC2)C(=O)/C(C)=C/c2cccnc2)cc1 ZINC001460206805 1062698966 /nfs/dbraw/zinc/69/89/66/1062698966.db2.gz OZTTXQPQOSABKC-DTQAZKPQSA-N 0 0 320.436 4.491 20 10 DICDRN COc1cc2c(c(OC)c1)N(Cc1ccccc1CF)CCC2 ZINC001460250923 1062729725 /nfs/dbraw/zinc/72/97/25/1062729725.db2.gz NCXYIJJMPLSGHP-UHFFFAOYSA-N 0 0 315.388 4.126 20 10 DICDRN CCOC1CC(CN2C[C@@H](C(C)C)Cc3cc(OC)ccc32)C1 ZINC001460286042 1062758758 /nfs/dbraw/zinc/75/87/58/1062758758.db2.gz PEUJUFGLERIECI-RMXPPQQLSA-N 0 0 317.473 4.145 20 10 DICDRN CC(C)c1ccc2cc(C(=O)N[C@@H](C)c3ccccc3O)[nH]c2c1 ZINC001471194317 1062937411 /nfs/dbraw/zinc/93/74/11/1062937411.db2.gz ITYJORTYHZZZEO-ZDUSSCGKSA-N 0 0 322.408 4.488 20 10 DICDRN C[C@@H](NC(=O)c1cccc(-c2cscn2)c1)c1ccccc1O ZINC001471195075 1062938607 /nfs/dbraw/zinc/93/86/07/1062938607.db2.gz BAFQBYJULUNFLM-GFCCVEGCSA-N 0 0 324.405 4.007 20 10 DICDRN C[C@H](NC(=O)[C@@H](C)c1cccc(Cl)c1)c1ccccc1O ZINC001471194878 1062938958 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0 311.425 4.127 20 10 DICDRN Cc1ccc2c(c1)O[C@@H](C)CN2Cc1cccc(Cl)c1O ZINC001308706839 1066190915 /nfs/dbraw/zinc/19/09/15/1066190915.db2.gz QBXZMPXFMVIOQY-LBPRGKRZSA-N 0 0 303.789 4.142 20 10 DICDRN CO[C@H]1CCOc2c(NCc3ccc(Cl)cc3O)cccc21 ZINC001308732940 1066207041 /nfs/dbraw/zinc/20/70/41/1066207041.db2.gz URWDPENRIWKYSU-INIZCTEOSA-N 0 0 319.788 4.128 20 10 DICDRN Cc1ccc2c(c1)CCN2Cc1ccc(Br)cc1O ZINC001308735637 1066211942 /nfs/dbraw/zinc/21/19/42/1066211942.db2.gz CAJLIMHCHDUNRR-UHFFFAOYSA-N 0 0 318.214 4.026 20 10 DICDRN CC[C@@]1(C)CCC[C@@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC001308742820 1066215845 /nfs/dbraw/zinc/21/58/45/1066215845.db2.gz XTVNATAWANWCEH-ZFWWWQNUSA-N 0 0 312.251 4.213 20 10 DICDRN [O-]c1c(C[NH2+][C@H]2CCC[C@H](c3ccccc3)C2)ccc(F)c1F ZINC001308742750 1066217346 /nfs/dbraw/zinc/21/73/46/1066217346.db2.gz WNYLQTFMWOELAR-HOCLYGCPSA-N 0 0 317.379 4.486 20 10 DICDRN [O-]c1c(C[NH2+]C[C@@H]2CCC[C@@H]2c2ccccc2)ccc(F)c1F ZINC001308785467 1066260431 /nfs/dbraw/zinc/26/04/31/1066260431.db2.gz DFMILMXRWUNAPR-GOEBONIOSA-N 0 0 317.379 4.344 20 10 DICDRN Cc1ccc2c(c1)CC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C2 ZINC001308825067 1066301574 /nfs/dbraw/zinc/30/15/74/1066301574.db2.gz IPJLFQOPXDSXPQ-UHFFFAOYSA-N 0 0 305.780 4.051 20 10 DICDRN [O-]c1c(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)ccc(F)c1F ZINC001308902485 1066379876 /nfs/dbraw/zinc/37/98/76/1066379876.db2.gz ZRDZJGYYGDWDFM-GDBMZVCRSA-N 0 0 303.352 4.096 20 10 DICDRN COc1cc(CNc2cncc(Cl)c2)c(O)c(C(C)(C)C)c1 ZINC001308940916 1066410329 /nfs/dbraw/zinc/41/03/29/1066410329.db2.gz WPNVTIIXNTZWII-UHFFFAOYSA-N 0 0 320.820 4.359 20 10 DICDRN Cc1ccc(CNc2cc(N(C)C)cc(C(F)(F)F)c2)c(O)c1 ZINC001308954709 1066416844 /nfs/dbraw/zinc/41/68/44/1066416844.db2.gz ZWKIGNBACAOIHN-UHFFFAOYSA-N 0 0 324.346 4.398 20 10 DICDRN C[C@H](CCCC(F)(F)F)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756079709 1066465074 /nfs/dbraw/zinc/46/50/74/1066465074.db2.gz QZXISVSTJHYQGI-NXEZZACHSA-N 0 0 320.311 4.072 20 10 DICDRN CCC(C)(C)c1ccc(NC(=O)NCc2ccccc2O)cc1 ZINC001310676710 1066550243 /nfs/dbraw/zinc/55/02/43/1066550243.db2.gz AMOVIZGOUNHCCM-UHFFFAOYSA-N 0 0 312.413 4.402 20 10 DICDRN CCCCCC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001311413443 1066638874 /nfs/dbraw/zinc/63/88/74/1066638874.db2.gz SWWWRXOVIRKKNI-CVEARBPZSA-N 0 0 319.493 4.472 20 10 DICDRN CCCCC1CCC(NC(=O)NCc2cc(C)ccc2O)CC1 ZINC001311670090 1066674756 /nfs/dbraw/zinc/67/47/56/1066674756.db2.gz XLYGYCXUOADNGE-UHFFFAOYSA-N 0 0 318.461 4.249 20 10 DICDRN CN(c1ccc(CNC(=O)NC(C)(C)C)cc1)C1CCCCC1 ZINC001311737930 1066685111 /nfs/dbraw/zinc/68/51/11/1066685111.db2.gz INJRXNOUXUSBGE-UHFFFAOYSA-N 0 0 317.477 4.053 20 10 DICDRN COc1cccc(Cl)c1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000188278987 200221315 /nfs/dbraw/zinc/22/13/15/200221315.db2.gz HFEJBHGXMZIECY-JTQLQIEISA-N 0 0 309.768 4.044 20 10 DICDRN C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273298298 130104167 /nfs/dbraw/zinc/10/41/67/130104167.db2.gz APEBNSRFRWOCFN-SGTLLEGYSA-N 0 0 312.369 4.102 20 10 DICDRN CCOc1ccc(N[C@H](C)c2ccc(C)c(C)c2O)cc1CO ZINC000273452097 130124346 /nfs/dbraw/zinc/12/43/46/130124346.db2.gz OWJUIKURUBTZMX-CQSZACIVSA-N 0 0 315.413 4.073 20 10 DICDRN C[C@H]([NH2+]CC1(C)CCOCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273517955 130130432 /nfs/dbraw/zinc/13/04/32/130130432.db2.gz SXJXRSSOWQAGEA-JTQLQIEISA-N 0 0 318.244 4.166 20 10 DICDRN C[C@@H]([NH2+]CC1(C)CCOCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273517957 130131030 /nfs/dbraw/zinc/13/10/30/130131030.db2.gz SXJXRSSOWQAGEA-SNVBAGLBSA-N 0 0 318.244 4.166 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCCc2sccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000274344956 130228421 /nfs/dbraw/zinc/22/84/21/130228421.db2.gz DWYHMGFJOLRWIG-QMTHXVAHSA-N 0 0 318.398 4.090 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)Nc1ccccc1F ZINC000282931953 130947006 /nfs/dbraw/zinc/94/70/06/130947006.db2.gz IAZMZEUKKLBWLR-UHFFFAOYSA-N 0 0 316.376 4.366 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)c1ccccc1OC)c1ccc(F)cc1[O-] ZINC000285604435 131185481 /nfs/dbraw/zinc/18/54/81/131185481.db2.gz JYJGDZVSEZCAFR-LRDDRELGSA-N 0 0 303.377 4.342 20 10 DICDRN CC[C@H]([NH2+][C@H]1CCCC12CCOCC2)c1cccc(Cl)c1[O-] ZINC000286950770 131257496 /nfs/dbraw/zinc/25/74/96/131257496.db2.gz HJWHMOCEWWPLSM-HOTGVXAUSA-N 0 0 323.864 4.436 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)c1nnc(C)s1)c1cccc(Cl)c1[O-] ZINC000287298124 131273609 /nfs/dbraw/zinc/27/36/09/131273609.db2.gz CGELMPUATSYWFC-UFBFGSQYSA-N 0 0 311.838 4.007 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1[O-] ZINC000287306284 131274126 /nfs/dbraw/zinc/27/41/26/131274126.db2.gz CSZYSGGXQKDQOH-CQSZACIVSA-N 0 0 320.776 4.195 20 10 DICDRN CC[C@@H]([NH2+]C[C@H](C)c1nccs1)c1cccc(Cl)c1[O-] ZINC000287534337 131285498 /nfs/dbraw/zinc/28/54/98/131285498.db2.gz DTPXSVKYRJDEIY-GXFFZTMASA-N 0 0 310.850 4.347 20 10 DICDRN CCOC1CC(CC[NH2+][C@H](CC)c2cccc(Cl)c2[O-])C1 ZINC000287735471 131297621 /nfs/dbraw/zinc/29/76/21/131297621.db2.gz PISUVNIUEUUASV-SEEARECTSA-N 0 0 311.853 4.292 20 10 DICDRN CC[C@@H]([NH2+][C@H](COC)c1ccc(C)o1)c1cccc(Cl)c1[O-] ZINC000287879887 131304670 /nfs/dbraw/zinc/30/46/70/131304670.db2.gz YIRDLRDUHGOIID-HUUCEWRRSA-N 0 0 323.820 4.375 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)c1cnn(CC)c1)c1cccc(Cl)c1[O-] ZINC000296090684 131939881 /nfs/dbraw/zinc/93/98/81/131939881.db2.gz YDOMWVBRJRQTJW-NHYWBVRUSA-N 0 0 307.825 4.064 20 10 DICDRN CC[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccc(OC)cc1 ZINC000170789240 332636452 /nfs/dbraw/zinc/63/64/52/332636452.db2.gz BCIHVRQMBOVUBR-PXAZEXFGSA-N 0 0 303.377 4.342 20 10 DICDRN CCOc1cc(N[C@H](C)c2ccc(F)cc2O)ccc1OC ZINC000170789391 332636665 /nfs/dbraw/zinc/63/66/65/332636665.db2.gz NJNJCHGDRYWFPZ-LLVKDONJSA-N 0 0 305.349 4.112 20 10 DICDRN CC(C)C(=O)Nc1cccc(N[C@@H](C)c2cc(F)ccc2O)c1 ZINC000176984641 332966980 /nfs/dbraw/zinc/96/69/80/332966980.db2.gz RCZCLIZKCVAURY-LBPRGKRZSA-N 0 0 316.376 4.299 20 10 DICDRN CCOc1cc(N[C@H](C)c2cc(F)ccc2O)ccc1OC ZINC000176984914 332967015 /nfs/dbraw/zinc/96/70/15/332967015.db2.gz DWHOQCNEURLNKT-LLVKDONJSA-N 0 0 305.349 4.112 20 10 DICDRN O=C1CCCCN1c1cccc(N[C@H]2CCc3cccc(O)c32)c1 ZINC000297142488 335151008 /nfs/dbraw/zinc/15/10/08/335151008.db2.gz ZMULSAUZABHNJC-KRWDZBQOSA-N 0 0 322.408 4.009 20 10 DICDRN O=C1CCCCN1c1cccc(N[C@@H]2CCc3cccc(O)c32)c1 ZINC000297142491 335150941 /nfs/dbraw/zinc/15/09/41/335150941.db2.gz ZMULSAUZABHNJC-QGZVFWFLSA-N 0 0 322.408 4.009 20 10 DICDRN CCOCc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000294113635 334205924 /nfs/dbraw/zinc/20/59/24/334205924.db2.gz FZAOFTMPKRRFKN-UHFFFAOYSA-N 0 0 323.795 4.011 20 10 DICDRN Cc1ccc(O)c([C@H](C)Nc2cccc(NC(=O)C3CC3)c2)c1 ZINC000192743744 336260339 /nfs/dbraw/zinc/26/03/39/336260339.db2.gz RDHCZSOVSNWHBL-ZDUSSCGKSA-N 0 0 310.397 4.222 20 10 DICDRN COc1ccc(OC(F)F)c(N[C@@H](C)c2ccccc2O)c1 ZINC000192764964 336260998 /nfs/dbraw/zinc/26/09/98/336260998.db2.gz YEHVEBHVJYPEDV-JTQLQIEISA-N 0 0 309.312 4.175 20 10 DICDRN CCCN(Cc1ccccc1O)c1nc(C(F)(F)F)cs1 ZINC000301738069 336326616 /nfs/dbraw/zinc/32/66/16/336326616.db2.gz CJDZDFWNMBLLHN-UHFFFAOYSA-N 0 0 316.348 4.284 20 10 DICDRN FC(F)(F)c1ccc(NCCCSc2nccs2)nc1 ZINC000301761803 336328205 /nfs/dbraw/zinc/32/82/05/336328205.db2.gz GDYMLFDLJXLRRV-UHFFFAOYSA-N 0 0 319.377 4.151 20 10 DICDRN c1csc(SCCCNc2ccnc3ccsc32)n1 ZINC000301782269 336329534 /nfs/dbraw/zinc/32/95/34/336329534.db2.gz NLUQDTYQVZRGGB-UHFFFAOYSA-N 0 0 307.469 4.347 20 10 DICDRN Cc1cnc(C)c(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)n1 ZINC000302206575 336353856 /nfs/dbraw/zinc/35/38/56/336353856.db2.gz DRVFMHIDPRXXDR-UHFFFAOYSA-N 0 0 322.387 4.008 20 10 DICDRN C[C@H](Nc1nc(C(F)(F)F)cs1)c1ccc(N(C)C)cc1 ZINC000302424820 336358632 /nfs/dbraw/zinc/35/86/32/336358632.db2.gz OQFJVAASZXTISS-VIFPVBQESA-N 0 0 315.364 4.401 20 10 DICDRN C[C@@H](N[C@H](c1nccs1)c1ccccc1)c1ccccc1O ZINC000183471549 337191847 /nfs/dbraw/zinc/19/18/47/337191847.db2.gz TYVHETYFMGZWKE-DYVFJYSZSA-N 0 0 310.422 4.289 20 10 DICDRN COc1ccc(-c2noc([C@H](C)Sc3nccs3)n2)cc1 ZINC000127159675 337419512 /nfs/dbraw/zinc/41/95/12/337419512.db2.gz LJCKCSAEDKDCSF-VIFPVBQESA-N 0 0 319.411 4.055 20 10 DICDRN Cc1ncccc1C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000527983547 337777657 /nfs/dbraw/zinc/77/76/57/337777657.db2.gz AOSGXXHTBHNZIH-SNVBAGLBSA-N 0 0 311.212 4.253 20 10 DICDRN CCN(CC(C)(C)C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000464322437 339139598 /nfs/dbraw/zinc/13/95/98/339139598.db2.gz TWOKWVXJYAQVES-UHFFFAOYSA-N 0 0 315.461 4.064 20 10 DICDRN CCc1ccsc1C(=O)NCc1c(C)c2ccccc2n1C ZINC000471240659 339340837 /nfs/dbraw/zinc/34/08/37/339340837.db2.gz APTIVBLOOIPIJR-UHFFFAOYSA-N 0 0 312.438 4.041 20 10 DICDRN CC(C)(C)C[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000262498988 341523137 /nfs/dbraw/zinc/52/31/37/341523137.db2.gz LUGJVKZFHKHJMF-GOSISDBHSA-N 0 0 310.441 4.105 20 10 DICDRN COc1cc(C)c(N[C@@H](C)c2ccc(C)cc2O)cc1OC ZINC000273521583 341636153 /nfs/dbraw/zinc/63/61/53/341636153.db2.gz UNCHLOJOEDQKFJ-ZDUSSCGKSA-N 0 0 301.386 4.199 20 10 DICDRN CC(C)Oc1ccccc1C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000191212350 519784477 /nfs/dbraw/zinc/78/44/77/519784477.db2.gz KAQFDDSUKAUHFB-LBPRGKRZSA-N 0 0 321.367 4.308 20 10 DICDRN CCN(C)c1ccc([C@H](C)Nc2cccc(NC(C)=O)c2)cc1 ZINC000182720315 520291074 /nfs/dbraw/zinc/29/10/74/520291074.db2.gz UWIZTHVKDBQWIT-AWEZNQCLSA-N 0 0 311.429 4.274 20 10 DICDRN CC(=O)Nc1cc(N[C@@H](C)c2c(C)cc(C)cc2O)ccc1C ZINC000294876416 534718178 /nfs/dbraw/zinc/71/81/78/534718178.db2.gz UMKLNHYXUSLNDK-AWEZNQCLSA-N 0 0 312.413 4.449 20 10 DICDRN Cc1ccc(C)c(OCCCCC(=O)Nc2ccc(N)cc2)c1 ZINC000237654863 524173085 /nfs/dbraw/zinc/17/30/85/524173085.db2.gz ATAREZHCUXUPRB-UHFFFAOYSA-N 0 0 312.413 4.073 20 10 DICDRN Cc1cc(C)c(C(=O)CCCC(=O)Nc2ccc(N)cc2)c(C)c1 ZINC000269115918 524218835 /nfs/dbraw/zinc/21/88/35/524218835.db2.gz HMODHDMCQZLKAS-UHFFFAOYSA-N 0 0 324.424 4.186 20 10 DICDRN COc1ccccc1C(C)(C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000182153401 524364083 /nfs/dbraw/zinc/36/40/83/524364083.db2.gz FGCRFMFGMNWQLX-UHFFFAOYSA-N 0 0 305.805 4.079 20 10 DICDRN COc1ccc(O)c([C@H](C)Nc2ccc(SC)cc2OC)c1 ZINC000193441088 524774919 /nfs/dbraw/zinc/77/49/19/524774919.db2.gz WFALNTFXESBMQW-NSHDSACASA-N 0 0 319.426 4.304 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000158097950 526329934 /nfs/dbraw/zinc/32/99/34/526329934.db2.gz IMUJJYILFLAXBD-QWRGUYRKSA-N 0 0 307.743 4.256 20 10 DICDRN Oc1ccc(F)cc1CNc1ccc(N2C[C@H]3CC[C@@H]2C3)cc1 ZINC000190605719 526352032 /nfs/dbraw/zinc/35/20/32/526352032.db2.gz CHMKCHFFVCFIEK-SCLBCKFNSA-N 0 0 312.388 4.132 20 10 DICDRN CCN(CC)c1ccc(CN[C@@H](C)c2c(F)cncc2F)cc1 ZINC000285569853 535686834 /nfs/dbraw/zinc/68/68/34/535686834.db2.gz UEHUURJUISXWFP-ZDUSSCGKSA-N 0 0 319.399 4.057 20 10 DICDRN CCSc1cc(C[NH2+][C@@H](CC)c2ccc(F)cc2[O-])ccn1 ZINC000287660027 535732248 /nfs/dbraw/zinc/73/22/48/535732248.db2.gz VJHVWVYCCBRMDA-HNNXBMFYSA-N 0 0 320.433 4.279 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H](C)c1nccs1)c1cccc(Cl)c1[O-] ZINC000287534363 535804411 /nfs/dbraw/zinc/80/44/11/535804411.db2.gz DTPXSVKYRJDEIY-ZWNOBZJWSA-N 0 0 310.850 4.347 20 10 DICDRN CC[C@@H]([NH2+]Cc1cc(C)no1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287569161 535805525 /nfs/dbraw/zinc/80/55/25/535805525.db2.gz GSDLDWMMBJKXIY-CYBMUJFWSA-N 0 0 315.200 4.236 20 10 DICDRN CC[C@@H](Nc1ccc(CCO)cc1)c1cccc(Cl)c1O ZINC000287742702 535809732 /nfs/dbraw/zinc/80/97/32/535809732.db2.gz PTKQWVLVDJKCOT-MRXNPFEDSA-N 0 0 305.805 4.144 20 10 DICDRN CC[C@@H](Nc1cnn(CC(F)F)c1)c1cccc(Cl)c1O ZINC000287312039 535810044 /nfs/dbraw/zinc/81/00/44/535810044.db2.gz CZXSGQWDORYPBY-GFCCVEGCSA-N 0 0 315.751 4.070 20 10 DICDRN CN(Cc1cc(Cl)ccc1O)[C@H](C1CCC1)C(F)(F)F ZINC001203663763 1048952529 /nfs/dbraw/zinc/95/25/29/1048952529.db2.gz GPEKBIIUAVCFDS-CYBMUJFWSA-N 0 0 307.743 4.208 20 10 DICDRN CC[C@H]1CCCC[N@@H+]1Cc1cc(C)cc(Br)c1[O-] ZINC001205046529 1049351615 /nfs/dbraw/zinc/35/16/15/1049351615.db2.gz QVLQHHXMNCKZOX-ZDUSSCGKSA-N 0 0 312.251 4.228 20 10 DICDRN CC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC001308330007 1065917228 /nfs/dbraw/zinc/91/72/28/1065917228.db2.gz UIZXBJNYQOOGGG-FZMZJTMJSA-N 0 0 312.251 4.131 20 10 DICDRN C[C@@H]([NH2+]Cc1ccccc1O)c1ccc(Br)cc1 ZINC000049514786 1035524777 /nfs/dbraw/zinc/52/47/77/1035524777.db2.gz QKAIWPBBRPQWJB-LLVKDONJSA-N 0 0 306.203 4.006 20 10 DICDRN Cc1ccc(C=C2SC(Nc3cccc(C)c3)=NC2=O)s1 ZINC000211554953 1035549166 /nfs/dbraw/zinc/54/91/66/1035549166.db2.gz JJSJNDKADSMLLE-NTEUORMPSA-N 0 0 314.435 4.447 20 10 DICDRN C[C@H](NCc1ccc(N(C)C2CCCCC2)cc1)c1ncc[nH]1 ZINC000286107699 1035613212 /nfs/dbraw/zinc/61/32/12/1035613212.db2.gz NLYBTLRYIFGDGP-HNNXBMFYSA-N 0 0 312.461 4.029 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)c2sccc2C)cc1 ZINC000728219901 1036018803 /nfs/dbraw/zinc/01/88/03/1036018803.db2.gz QRLDQUNKXQMVOV-UHFFFAOYSA-N 0 0 316.470 4.175 20 10 DICDRN [O-]c1c(Br)cccc1C[NH2+]CCC1CCCCC1 ZINC000042412427 1036122228 /nfs/dbraw/zinc/12/22/28/1036122228.db2.gz XCRYFTXDQGSTKB-UHFFFAOYSA-N 0 0 312.251 4.215 20 10 DICDRN COc1ccc(N(C)Cc2cnc3ccc(C)cc3c2)cc1OC ZINC001167261646 1036341355 /nfs/dbraw/zinc/34/13/55/1036341355.db2.gz FGCUPQIUVAFNCS-UHFFFAOYSA-N 0 0 322.408 4.197 20 10 DICDRN C/C(=C\C(=O)NCc1cc(C)ccc1O)c1cccc(Cl)c1 ZINC001167293884 1036479627 /nfs/dbraw/zinc/47/96/27/1036479627.db2.gz SPDDFKXBFPLWTG-UKTHLTGXSA-N 0 0 315.800 4.074 20 10 DICDRN CCCOc1cccc(NCc2cc(F)c(N(C)C)cc2F)c1 ZINC001648841416 1036622573 /nfs/dbraw/zinc/62/25/73/1036622573.db2.gz QCLROXXFRJAOJR-UHFFFAOYSA-N 0 0 320.383 4.432 20 10 DICDRN C[C@@H](NC(=O)CCC(C)(C)c1ccccc1)c1ccccc1O ZINC001648889874 1036673566 /nfs/dbraw/zinc/67/35/66/1036673566.db2.gz PZVPQFHMNPXIOX-OAHLLOKOSA-N 0 0 311.425 4.327 20 10 DICDRN C[C@@H](CCCc1ccccc1)C(=O)N[C@@H](C)c1ccccc1O ZINC001648891880 1036677290 /nfs/dbraw/zinc/67/72/90/1036677290.db2.gz IXKKWHWAFXSXSD-HOTGVXAUSA-N 0 0 311.425 4.228 20 10 DICDRN C[C@H](NC(=O)c1cc2cccc(Cl)c2o1)c1ccccc1O ZINC001648892271 1036677825 /nfs/dbraw/zinc/67/78/25/1036677825.db2.gz SXQJUMATTJQSSH-JTQLQIEISA-N 0 0 315.756 4.283 20 10 DICDRN Cc1ncccc1/C=C\C(=O)N(C)c1cccc2ccccc21 ZINC001125394160 1036725103 /nfs/dbraw/zinc/72/51/03/1036725103.db2.gz NUPWDLMIFRJUMJ-SEYXRHQNSA-N 0 0 302.377 4.219 20 10 DICDRN CC(C)c1ccc(NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000079121396 1036757851 /nfs/dbraw/zinc/75/78/51/1036757851.db2.gz JAOZSYPBYOEIAP-UHFFFAOYSA-N 0 0 310.441 4.259 20 10 DICDRN CCc1cnc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])s1 ZINC000230707230 1036917300 /nfs/dbraw/zinc/91/73/00/1036917300.db2.gz HCIYURVSGQRBML-UHFFFAOYSA-N 0 0 317.241 4.008 20 10 DICDRN Cn1c(-c2ccccc2)cnc1SCCCc1ccncc1 ZINC000785029449 1037370180 /nfs/dbraw/zinc/37/01/80/1037370180.db2.gz NMLITTPKLWWAID-UHFFFAOYSA-N 0 0 309.438 4.207 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCc2ccccc21 ZINC000066698335 1037492539 /nfs/dbraw/zinc/49/25/39/1037492539.db2.gz DTDIQIONULKJRN-GOSISDBHSA-N 0 0 324.424 4.001 20 10 DICDRN CCc1ccc(NCc2c(O)cccc2Br)cc1 ZINC000706855183 1037501440 /nfs/dbraw/zinc/50/14/40/1037501440.db2.gz ADUDYISQRCACLL-UHFFFAOYSA-N 0 0 306.203 4.329 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc2ccccc2n1)c1ccc(F)cc1[O-] ZINC000796711033 1037615343 /nfs/dbraw/zinc/61/53/43/1037615343.db2.gz RVMDYRPDYDGYPB-KRWDZBQOSA-N 0 0 310.372 4.320 20 10 DICDRN CC(C)=CCC[C@@H](C)CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001125535207 1038004878 /nfs/dbraw/zinc/00/48/78/1038004878.db2.gz SMUHUFSFLDXMMH-OAHLLOKOSA-N 0 0 320.452 4.281 20 10 DICDRN C[C@H](Nc1cc2c(cc1Cl)OCO2)c1ccc(F)cc1O ZINC000062746580 1038624580 /nfs/dbraw/zinc/62/45/80/1038624580.db2.gz QMKLAYQJIQHVSR-QMMMGPOBSA-N 0 0 309.724 4.087 20 10 DICDRN COc1ccc(N(Cc2nnc(C(C)C)o2)[C@H](C)C2CC2)cc1 ZINC000109774039 1038633215 /nfs/dbraw/zinc/63/32/15/1038633215.db2.gz MMVQUVHWXVWFSE-CYBMUJFWSA-N 0 0 315.417 4.007 20 10 DICDRN CCOc1ccccc1NCc1cccc(Br)c1O ZINC000048794607 1038668622 /nfs/dbraw/zinc/66/86/22/1038668622.db2.gz UTLUHQLLISKENT-UHFFFAOYSA-N 0 0 322.202 4.166 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(F)c(F)c1 ZINC000049577294 1038693287 /nfs/dbraw/zinc/69/32/87/1038693287.db2.gz LYDMZGOJXWSLRQ-UHFFFAOYSA-N 0 0 318.150 4.267 20 10 DICDRN Cc1cc(C(=O)Nc2c(C)noc2C)c(C)n1-c1cccc(C)c1 ZINC000063489328 1038754510 /nfs/dbraw/zinc/75/45/10/1038754510.db2.gz IBARUCLEPSFMGA-UHFFFAOYSA-N 0 0 323.396 4.260 20 10 DICDRN Cc1cc(C(=O)Nc2ccc(F)cn2)c(C)n1-c1cccc(C)c1 ZINC000728515627 1038805351 /nfs/dbraw/zinc/80/53/51/1038805351.db2.gz FYZRKEMKEVMQRD-UHFFFAOYSA-N 0 0 323.371 4.189 20 10 DICDRN Cc1ccc(C)c(NC2=NC(=O)C(=Cc3cccc(O)c3)S2)c1 ZINC000023215436 1039156449 /nfs/dbraw/zinc/15/64/49/1039156449.db2.gz JNZDSKDJKLCDHM-MHWRWJLKSA-N 0 0 324.405 4.091 20 10 DICDRN C[C@H](NCc1coc(-c2ccccc2)n1)c1ccc(N(C)C)cc1 ZINC000123807827 1039171076 /nfs/dbraw/zinc/17/10/76/1039171076.db2.gz XKECHUFOXICOAE-HNNXBMFYSA-N 0 0 321.424 4.258 20 10 DICDRN COc1ccc(N[C@@H](C)c2ccccc2O)cc1Br ZINC000088318837 1039207728 /nfs/dbraw/zinc/20/77/28/1039207728.db2.gz YLILCQSUXYBCFL-JTQLQIEISA-N 0 0 322.202 4.336 20 10 DICDRN CCc1ccc([C@@H](C)NC(=O)[C@H](C)Sc2nccs2)cc1 ZINC000052914383 1039652891 /nfs/dbraw/zinc/65/28/91/1039652891.db2.gz PYKGLFYGWLIESA-NEPJUHHUSA-N 0 0 320.483 4.064 20 10 DICDRN CCC(=O)Nc1ccc(N[C@H](C)c2cc(F)ccc2O)cc1 ZINC000176983490 1040312131 /nfs/dbraw/zinc/31/21/31/1040312131.db2.gz CTACTRMBMKRYEP-LLVKDONJSA-N 0 0 302.349 4.053 20 10 DICDRN Clc1ccc(-c2nnc(CSc3nccs3)o2)cc1 ZINC000048874324 1040482032 /nfs/dbraw/zinc/48/20/32/1040482032.db2.gz SJUFRJFDTROOMT-UHFFFAOYSA-N 0 0 309.803 4.139 20 10 DICDRN Cc1cnc(CSc2ncc(-c3ccccc3)n2C)s1 ZINC000179718355 1040527404 /nfs/dbraw/zinc/52/74/04/1040527404.db2.gz AQOFPWZAXYXQHX-UHFFFAOYSA-N 0 0 301.440 4.144 20 10 DICDRN CCOc1ccc(NCc2c(O)cccc2Cl)cc1OC ZINC000092001080 1040585468 /nfs/dbraw/zinc/58/54/68/1040585468.db2.gz PENISAVBPVHVLJ-UHFFFAOYSA-N 0 0 307.777 4.065 20 10 DICDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)N[C@@H]1CCC[C@H]1O ZINC000255885239 1040812102 /nfs/dbraw/zinc/81/21/02/1040812102.db2.gz YXAHYNSONIWGFI-IAGOWNOFSA-N 0 0 324.384 4.137 20 10 DICDRN c1coc(-c2cc(COc3ccc(N4CCCC4)cc3)no2)c1 ZINC000178196541 1041048531 /nfs/dbraw/zinc/04/85/31/1041048531.db2.gz QMKZBYVLIJVXDB-UHFFFAOYSA-N 0 0 310.353 4.114 20 10 DICDRN O=C(NCc1ccon1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000747534396 1041053404 /nfs/dbraw/zinc/05/34/04/1041053404.db2.gz AUDBAQXAKUDFSP-UHFFFAOYSA-N 0 0 321.340 4.412 20 10 DICDRN Cc1cc(C#N)ccc1C(=O)Nc1cccc(N2CCCCC2)c1 ZINC000162782606 1041181760 /nfs/dbraw/zinc/18/17/60/1041181760.db2.gz PMHHVTGVQARJJD-UHFFFAOYSA-N 0 0 319.408 4.109 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc(OC)cc1 ZINC000176983419 1041229100 /nfs/dbraw/zinc/22/91/00/1041229100.db2.gz BEQPYLBEEWENGJ-SJCJKPOMSA-N 0 0 303.377 4.342 20 10 DICDRN Cc1cc(Cl)cc(CNc2ccc(F)c([C@@H](C)O)c2)c1O ZINC000809715399 1041230530 /nfs/dbraw/zinc/23/05/30/1041230530.db2.gz BEDNVHILGHKNDN-SNVBAGLBSA-N 0 0 309.768 4.159 20 10 DICDRN CC[C@H](c1ccncc1)[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000809765323 1041251869 /nfs/dbraw/zinc/25/18/69/1041251869.db2.gz MSSSOKLRVYHEPE-OAHLLOKOSA-N 0 0 308.784 4.163 20 10 DICDRN Cc1ccccc1[C@H](CC(C)C)NC(=O)Cc1ccc(N)cc1 ZINC000236598586 1041320654 /nfs/dbraw/zinc/32/06/54/1041320654.db2.gz PDKJFVIXIJRYHM-IBGZPJMESA-N 0 0 310.441 4.023 20 10 DICDRN Oc1ccc(Br)cc1CNc1cc(C2CC2)ccn1 ZINC000810175403 1041330619 /nfs/dbraw/zinc/33/06/19/1041330619.db2.gz KCRUNQWZZFWWKN-UHFFFAOYSA-N 0 0 319.202 4.039 20 10 DICDRN CC[C@@H]([NH2+]C[C@H](CC)OC)c1ccc(Cl)c(Cl)c1[O-] ZINC000810260213 1041348799 /nfs/dbraw/zinc/34/87/99/1041348799.db2.gz GXUOVHFKEFKZPI-JOYOIKCWSA-N 0 0 306.233 4.165 20 10 DICDRN CC(C)N(C)C[C@@H](C)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000810255146 1041357509 /nfs/dbraw/zinc/35/75/09/1041357509.db2.gz WDWHWFBJTVOUHQ-GHMZBOCLSA-N 0 0 319.276 4.078 20 10 DICDRN CN(C)c1ccc(CN2Cc3cccc(F)c3C2)c(Cl)c1 ZINC001140925290 1041358763 /nfs/dbraw/zinc/35/87/63/1041358763.db2.gz QZGYPQVSJDMTRE-UHFFFAOYSA-N 0 0 304.796 4.061 20 10 DICDRN Cc1cc(CNC(=O)CC2(C)CC2)c(C)n1-c1cccc(C)c1 ZINC001132264206 1041388080 /nfs/dbraw/zinc/38/80/80/1041388080.db2.gz LUNGXUDKXLAXHH-UHFFFAOYSA-N 0 0 310.441 4.209 20 10 DICDRN CC(C)(C)c1cnc(Sc2cc(C(F)F)ncn2)s1 ZINC000892916146 1041420278 /nfs/dbraw/zinc/42/02/78/1041420278.db2.gz JSYFVOKNZAOWSD-UHFFFAOYSA-N 0 0 301.387 4.319 20 10 DICDRN Oc1ccccc1CN(Cc1ccco1)Cc1ccccc1F ZINC000756330574 1041487888 /nfs/dbraw/zinc/48/78/88/1041487888.db2.gz YPYFNIKKLYPJCL-UHFFFAOYSA-N 0 0 311.356 4.327 20 10 DICDRN Cc1ccccc1-c1nnc(NCc2c(O)cccc2Cl)o1 ZINC000811838857 1041572815 /nfs/dbraw/zinc/57/28/15/1041572815.db2.gz WYVIRTMWBIHRKU-UHFFFAOYSA-N 0 0 315.760 4.016 20 10 DICDRN Cc1[nH]c2ccccc2c1C1=CCN(c2cccc(F)n2)CC1 ZINC000811822248 1041574943 /nfs/dbraw/zinc/57/49/43/1041574943.db2.gz CQCPFCUTFOKACD-UHFFFAOYSA-N 0 0 307.372 4.304 20 10 DICDRN CCN(CC)[C@@H](C[NH2+][C@H](C)c1ccc(C)cc1O)c1ccco1 ZINC000185228061 1041609517 /nfs/dbraw/zinc/60/95/17/1041609517.db2.gz UHZIUWIODGJERG-WBVHZDCISA-N 0 0 316.445 4.027 20 10 DICDRN CCOCCC1(C[NH2+][C@H](C)c2ccc(F)cc2[O-])CCCC1 ZINC000185748445 1041620620 /nfs/dbraw/zinc/62/06/20/1041620620.db2.gz RZIPTGWJLFHOFB-CQSZACIVSA-N 0 0 309.425 4.169 20 10 DICDRN Cc1ccc([C@@H](C)[NH2+]Cc2csc(-c3ccco3)n2)c(O)c1 ZINC000185804127 1041621306 /nfs/dbraw/zinc/62/13/06/1041621306.db2.gz ICZTVMJEFNGBGY-GFCCVEGCSA-N 0 0 314.410 4.268 20 10 DICDRN C[C@H]([NH2+]Cc1csc(-c2ccco2)n1)c1cc(F)ccc1O ZINC000185804319 1041621699 /nfs/dbraw/zinc/62/16/99/1041621699.db2.gz IUTWQKOFSHCWRW-JTQLQIEISA-N 0 0 318.373 4.099 20 10 DICDRN Cc1cc(C)c(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])c(C)c1 ZINC000756494571 1041622806 /nfs/dbraw/zinc/62/28/06/1041622806.db2.gz GEDYMPDIPNJFLW-CYBMUJFWSA-N 0 0 305.368 4.446 20 10 DICDRN CCC1(C)CN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000812692374 1041639406 /nfs/dbraw/zinc/63/94/06/1041639406.db2.gz WNBWOGYKUDYXDV-UHFFFAOYSA-N 0 0 302.443 4.028 20 10 DICDRN C=Cc1ccc(CC[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000812735286 1041642736 /nfs/dbraw/zinc/64/27/36/1041642736.db2.gz ZONOAWPOAYSVIW-GFCCVEGCSA-N 0 0 303.352 4.207 20 10 DICDRN CCN(CC)c1ccc(CNc2ccc3c(C)nn(C)c3c2)cc1 ZINC000812773605 1041645620 /nfs/dbraw/zinc/64/56/20/1041645620.db2.gz IFGFVVXGACHRIU-UHFFFAOYSA-N 0 0 322.456 4.340 20 10 DICDRN COc1cc(O)c(CNc2cccc(C3CCC3)c2)cc1OC ZINC000812776159 1041645909 /nfs/dbraw/zinc/64/59/09/1041645909.db2.gz SEPLEIWNWRRYFK-UHFFFAOYSA-N 0 0 313.397 4.289 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)NC2(C3CC3)CCC2)cc1 ZINC001133449552 1041648050 /nfs/dbraw/zinc/64/80/50/1041648050.db2.gz CIRQJFLVDAOIKR-UHFFFAOYSA-N 0 0 308.425 4.157 20 10 DICDRN CCN(Cc1cncc(C(F)(F)F)c1)c1ccc(OC)cc1 ZINC000812828668 1041650933 /nfs/dbraw/zinc/65/09/33/1041650933.db2.gz FOIGTSJIIGLXBI-UHFFFAOYSA-N 0 0 310.319 4.136 20 10 DICDRN CCCn1c(C(=O)N(C)Cc2ccccc2O)cc2ccccc21 ZINC000188358052 1041678266 /nfs/dbraw/zinc/67/82/66/1041678266.db2.gz JKQYPJBLTKWEIC-UHFFFAOYSA-N 0 0 322.408 4.029 20 10 DICDRN CCCCC[C@](C)(CC)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000189049375 1041695253 /nfs/dbraw/zinc/69/52/53/1041695253.db2.gz UPCZPHXTVUEXJO-LIRRHRJNSA-N 0 0 321.461 4.142 20 10 DICDRN Oc1ccc2ccccc2c1C[NH+]1CCC(c2ccncc2)CC1 ZINC000191283447 1041725563 /nfs/dbraw/zinc/72/55/63/1041725563.db2.gz MDNNNGLSSKUDMV-UHFFFAOYSA-N 0 0 318.420 4.320 20 10 DICDRN C[C@H]([NH2+]CC1CC(F)(F)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000813873178 1041740008 /nfs/dbraw/zinc/74/00/08/1041740008.db2.gz RPIHRNWFAFHHOC-ZETCQYMHSA-N 0 0 310.171 4.395 20 10 DICDRN CCn1ncc2ccc(NCc3c(O)cccc3Cl)cc21 ZINC000123418878 1041747247 /nfs/dbraw/zinc/74/72/47/1041747247.db2.gz MIAYTDUBLFEWHB-UHFFFAOYSA-N 0 0 301.777 4.027 20 10 DICDRN C[C@H](NC(=O)CCCc1c[nH]c2ccccc12)c1ccccc1O ZINC000827984749 1041755748 /nfs/dbraw/zinc/75/57/48/1041755748.db2.gz DXQDQDAACJSDOG-AWEZNQCLSA-N 0 0 322.408 4.074 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000814170461 1041783114 /nfs/dbraw/zinc/78/31/14/1041783114.db2.gz WRHTYLJPIHXOQJ-NSHDSACASA-N 0 0 303.780 4.351 20 10 DICDRN C[C@@]12CC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]1C2(F)F ZINC000814169260 1041783303 /nfs/dbraw/zinc/78/33/03/1041783303.db2.gz FUDVOEKJWSXSOC-WCQYABFASA-N 0 0 322.182 4.176 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1ccc(C2CC2)cc1F ZINC000814170287 1041783330 /nfs/dbraw/zinc/78/33/30/1041783330.db2.gz UQPRULOYPQYVEF-UHFFFAOYSA-N 0 0 305.780 4.352 20 10 DICDRN C[C@@H]1C[C@@H]1c1ccc(/C=C2\SC(=S)N(C3CCC3)C2=O)o1 ZINC000814185781 1041787074 /nfs/dbraw/zinc/78/70/74/1041787074.db2.gz PXQVGGKBIGNTAV-GUEJLFBGSA-N 0 0 319.451 4.157 20 10 DICDRN CCc1ccc(/C=C2\SC(=S)N(C3CCC3)C2=O)s1 ZINC000814185459 1041788056 /nfs/dbraw/zinc/78/80/56/1041788056.db2.gz HSJCPORYUMRAJV-WQLSENKSSA-N 0 0 309.481 4.064 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC(C)(C)C2CC2)cc1 ZINC001134255923 1041806119 /nfs/dbraw/zinc/80/61/19/1041806119.db2.gz DTUONQKFTCNPDF-UHFFFAOYSA-N 0 0 310.441 4.260 20 10 DICDRN Nc1ccc(Nc2cnc3cc(Br)ccc3c2)cc1 ZINC001159254126 1041889014 /nfs/dbraw/zinc/88/90/14/1041889014.db2.gz RASJVOIJHFRNNA-UHFFFAOYSA-N 0 0 314.186 4.323 20 10 DICDRN Cc1cc(CN(Cc2ccco2)Cc2ccco2)ccc1N(C)C ZINC000815008760 1041903013 /nfs/dbraw/zinc/90/30/13/1041903013.db2.gz NJWFUAZPLQYNLL-UHFFFAOYSA-N 0 0 324.424 4.449 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CCSC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806147872 1041967351 /nfs/dbraw/zinc/96/73/51/1041967351.db2.gz NUEZLQSJLHWABT-SKDRFNHKSA-N 0 0 306.258 4.245 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@H]3CCC[C@@H]32)cc1 ZINC001126094315 1041946645 /nfs/dbraw/zinc/94/66/45/1041946645.db2.gz HYNPOAIYJDJBJD-XLIONFOSSA-N 0 0 322.452 4.499 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H]3CCC[C@H]32)cc1 ZINC001126094311 1041946918 /nfs/dbraw/zinc/94/69/18/1041946918.db2.gz HYNPOAIYJDJBJD-FXAWDEMLSA-N 0 0 322.452 4.499 20 10 DICDRN C[C@H](Cc1ccco1)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815556449 1041961864 /nfs/dbraw/zinc/96/18/64/1041961864.db2.gz VRPJHSBXFKAAJU-GHMZBOCLSA-N 0 0 313.319 4.286 20 10 DICDRN CSCC[C@@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815582177 1041967288 /nfs/dbraw/zinc/96/72/88/1041967288.db2.gz ZMHSEMBLLJDBLV-NXEZZACHSA-N 0 0 307.381 4.203 20 10 DICDRN CC[C@@H]([NH2+][C@H]1CCSC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806147869 1041967323 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COCCOc1cccc(N[C@@H](C)c2c(C)cc(C)cc2O)c1 ZINC000815603018 1041979603 /nfs/dbraw/zinc/97/96/03/1041979603.db2.gz RBCXONXKSVTTLN-HNNXBMFYSA-N 0 0 315.413 4.207 20 10 DICDRN C[C@@H]([NH2+]CC[C@H](C)F)c1cc(Br)cc(Cl)c1[O-] ZINC000815645603 1041983129 /nfs/dbraw/zinc/98/31/29/1041983129.db2.gz KWQHXTOORJTFIY-JGVFFNPUSA-N 0 0 324.621 4.207 20 10 DICDRN C[C@H](F)CC[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000815645605 1041983347 /nfs/dbraw/zinc/98/33/47/1041983347.db2.gz KWQHXTOORJTFIY-YUMQZZPRSA-N 0 0 324.621 4.207 20 10 DICDRN C[C@H](NCC(C)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000815644569 1041983393 /nfs/dbraw/zinc/98/33/93/1041983393.db2.gz GDKZAPCEACHLNB-LBPRGKRZSA-N 0 0 300.368 4.122 20 10 DICDRN CCOC1(C[NH2+][C@@H](CC)c2cccc(Cl)c2[O-])CCCC1 ZINC000815644868 1041983527 /nfs/dbraw/zinc/98/35/27/1041983527.db2.gz NZJGAVJXGPSLOU-HNNXBMFYSA-N 0 0 311.853 4.436 20 10 DICDRN CC(C)C1([NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])CC1 ZINC000815647164 1041984872 /nfs/dbraw/zinc/98/48/72/1041984872.db2.gz 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CC(=O)Nc1ccc(C)c(NCc2cc(Cl)c(F)cc2O)c1 ZINC000816521893 1042064431 /nfs/dbraw/zinc/06/44/31/1042064431.db2.gz BWGLVJMTFSTVIX-UHFFFAOYSA-N 0 0 322.767 4.064 20 10 DICDRN CC(=O)Nc1cccc(NCc2cc(Cl)c(F)cc2O)c1C ZINC000816522425 1042064542 /nfs/dbraw/zinc/06/45/42/1042064542.db2.gz YOGYDVZVQJXOKU-UHFFFAOYSA-N 0 0 322.767 4.064 20 10 DICDRN CC(=O)Nc1ccc(C)c(NCc2ccc3ccccc3c2O)c1 ZINC000816522301 1042064919 /nfs/dbraw/zinc/06/49/19/1042064919.db2.gz SMYSUORWCKIDAX-UHFFFAOYSA-N 0 0 320.392 4.424 20 10 DICDRN CC(C)([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1cccc(F)c1 ZINC000816550975 1042065336 /nfs/dbraw/zinc/06/53/36/1042065336.db2.gz KCEOFCVPMDDDIT-UHFFFAOYSA-N 0 0 311.759 4.349 20 10 DICDRN CCOCc1cccc(NCc2cc(Cl)c(F)cc2O)c1 ZINC000816526211 1042065969 /nfs/dbraw/zinc/06/59/69/1042065969.db2.gz XSWDFYODFXRDEK-UHFFFAOYSA-N 0 0 309.768 4.333 20 10 DICDRN CC(=O)N(C)c1cccc(NCc2ccc3ccccc3c2O)c1 ZINC000816524973 1042066514 /nfs/dbraw/zinc/06/65/14/1042066514.db2.gz ZCJNHFNBUPYESI-UHFFFAOYSA-N 0 0 320.392 4.140 20 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309.413 4.318 20 10 DICDRN Oc1cc(F)c(Cl)cc1CNc1ccc2c(c1)CCCO2 ZINC000816563576 1042069186 /nfs/dbraw/zinc/06/91/86/1042069186.db2.gz CBGXVDKMISDJTF-UHFFFAOYSA-N 0 0 307.752 4.122 20 10 DICDRN Cc1cc2c(cc1NCc1ccc3ccccc3c1O)OCO2 ZINC000816566484 1042069195 /nfs/dbraw/zinc/06/91/95/1042069195.db2.gz WNJIQOHCEGHQGF-UHFFFAOYSA-N 0 0 307.349 4.195 20 10 DICDRN C[C@@H](C1CC1)n1cc(NCc2ccc3ccccc3c2O)cn1 ZINC000816574994 1042070176 /nfs/dbraw/zinc/07/01/76/1042070176.db2.gz YSHIFNUFTROVQU-ZDUSSCGKSA-N 0 0 307.397 4.325 20 10 DICDRN C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816569817 1042070717 /nfs/dbraw/zinc/07/07/17/1042070717.db2.gz XQQDUDUJVRSJTP-BZNIZROVSA-N 0 0 320.795 4.163 20 10 DICDRN Oc1c(CNc2ccc(OC(F)F)nc2)ccc2ccccc21 ZINC000816600631 1042071212 /nfs/dbraw/zinc/07/12/12/1042071212.db2.gz DBPTWFPIQZLLMR-UHFFFAOYSA-N 0 0 316.307 4.154 20 10 DICDRN COc1cc(NCc2ccc3ccccc3c2O)c(C)c(OC)c1 ZINC000816600374 1042071954 /nfs/dbraw/zinc/07/19/54/1042071954.db2.gz 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/nfs/dbraw/zinc/11/53/17/1042115317.db2.gz OKJVKZGJLQTVAZ-NBVRZTHBSA-N 0 0 318.436 4.145 20 10 DICDRN C[C@H]([NH2+]C[C@@H]1CC12CCSCC2)c1ccc(Cl)cc1[O-] ZINC000817588619 1042119943 /nfs/dbraw/zinc/11/99/43/1042119943.db2.gz HYDXCBXHRFVFSI-RYUDHWBXSA-N 0 0 311.878 4.230 20 10 DICDRN O=C1NC(=S)S/C1=C\c1c(Cl)ccc(Cl)c1Cl ZINC000817909508 1042129778 /nfs/dbraw/zinc/12/97/78/1042129778.db2.gz SXJPWMPWHXHLAZ-CLTKARDFSA-N 0 0 324.641 4.136 20 10 DICDRN CCc1c(N[C@H](C)c2cc(F)cc(F)c2O)cnn1CC(C)C ZINC000756856453 1042130218 /nfs/dbraw/zinc/13/02/18/1042130218.db2.gz PWVAUURWPYEKBI-LLVKDONJSA-N 0 0 323.387 4.258 20 10 DICDRN CC(C)c1ccc([C@@H](N)C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000817953962 1042131159 /nfs/dbraw/zinc/13/11/59/1042131159.db2.gz SYSHXWYFAOAPNS-UGSOOPFHSA-N 0 0 316.420 4.005 20 10 DICDRN O=C(NC[C@H]1CCOC1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000043189121 1042135080 /nfs/dbraw/zinc/13/50/80/1042135080.db2.gz NIPOVQMFUMKEFR-CTBAPTLKSA-N 0 0 324.384 4.260 20 10 DICDRN Cc1cc(C(=O)N2CC=CC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC001625907919 1042135382 /nfs/dbraw/zinc/13/53/82/1042135382.db2.gz WIWIVPQAAVFOTN-UHFFFAOYSA-N 0 0 308.425 4.230 20 10 DICDRN CC[C@@H]([NH2+]Cc1cc(C)cc(N)c1)c1cccc(Cl)c1[O-] ZINC000817979768 1042135883 /nfs/dbraw/zinc/13/58/83/1042135883.db2.gz FBWAIXVVZJBWQE-MRXNPFEDSA-N 0 0 304.821 4.177 20 10 DICDRN COc1cccc(CNc2ccc(OC3CCCC3)cc2)c1O ZINC000121916824 1042159261 /nfs/dbraw/zinc/15/92/61/1042159261.db2.gz CUNWQAWWNRYOKH-UHFFFAOYSA-N 0 0 313.397 4.334 20 10 DICDRN Cc1ccc(Cl)cc1N(C)C(=O)/C=C/c1ccc(Cl)nc1 ZINC000818809352 1042160925 /nfs/dbraw/zinc/16/09/25/1042160925.db2.gz OEGQYLMTAPOYME-VMPITWQZSA-N 0 0 321.207 4.373 20 10 DICDRN C[N@H+](Cc1ccccc1O)[C@H]1CCc2cccc(Cl)c2C1 ZINC001170945746 1042212305 /nfs/dbraw/zinc/21/23/05/1042212305.db2.gz XOWMPNDSZTWLIB-HNNXBMFYSA-N 0 0 301.817 4.035 20 10 DICDRN CCc1ccc(O)c(C(=O)Nc2cccc(N3CCCCC3)c2)c1 ZINC001136407532 1042239643 /nfs/dbraw/zinc/23/96/43/1042239643.db2.gz DVCNRZOEDCXTQO-UHFFFAOYSA-N 0 0 324.424 4.197 20 10 DICDRN C[C@@H](Nc1cccc(Br)c1)c1cc(F)ccc1O ZINC000094616710 1042265653 /nfs/dbraw/zinc/26/56/53/1042265653.db2.gz FVAXQZZHLOSSHQ-SECBINFHSA-N 0 0 310.166 4.467 20 10 DICDRN C[C@H]([NH2+]CCN(C)C1CCCC1)c1ccc2ccccc2c1O ZINC000390982146 1042288035 /nfs/dbraw/zinc/28/80/35/1042288035.db2.gz IVKUWHKKURHDAL-HNNXBMFYSA-N 0 0 312.457 4.070 20 10 DICDRN COC1(CCN(C)c2ccc(-c3nccs3)cc2)CCC1 ZINC001170989960 1042290160 /nfs/dbraw/zinc/29/01/60/1042290160.db2.gz DOMHGGVLANGJTA-UHFFFAOYSA-N 0 0 302.443 4.206 20 10 DICDRN CCNC(=O)Nc1ccc(C)c(N[C@@H](C)c2ccccc2O)c1 ZINC000279494400 1042318867 /nfs/dbraw/zinc/31/88/67/1042318867.db2.gz MAKGTTUWIISWII-ZDUSSCGKSA-N 0 0 313.401 4.015 20 10 DICDRN O=C(Nc1cccc(N2CCCCC2)c1)c1ccc(CF)cc1 ZINC000823322038 1042320254 /nfs/dbraw/zinc/32/02/54/1042320254.db2.gz MJVBATFUAIOKTD-UHFFFAOYSA-N 0 0 312.388 4.399 20 10 DICDRN COc1ccc(N(CCc2ccccc2)Cc2nocc2C)cc1 ZINC001167882164 1042327336 /nfs/dbraw/zinc/32/73/36/1042327336.db2.gz VNEQDMDVFXTJQO-UHFFFAOYSA-N 0 0 322.408 4.241 20 10 DICDRN COc1ccc(F)c(NCc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000094855126 1042332809 /nfs/dbraw/zinc/33/28/09/1042332809.db2.gz PQLYWCMFLGHHCG-UHFFFAOYSA-N 0 0 316.159 4.459 20 10 DICDRN O=C(C1CCCCC1)N(Cc1ccco1)Cc1ccccc1O ZINC000247812554 1042434180 /nfs/dbraw/zinc/43/41/80/1042434180.db2.gz BDMSLCNJQCJNPG-UHFFFAOYSA-N 0 0 313.397 4.094 20 10 DICDRN O=C(CSc1nccs1)Nc1ccc2ccccc2c1 ZINC000047239124 1042455847 /nfs/dbraw/zinc/45/58/47/1042455847.db2.gz SEZVEIYLIBMOSG-UHFFFAOYSA-N 0 0 300.408 4.027 20 10 DICDRN CN(C)c1ccc(CN(C)C(=O)NCCCCC(C)(C)C)cc1 ZINC000729231014 1042515767 /nfs/dbraw/zinc/51/57/67/1042515767.db2.gz QMWBOAOHQPLYQQ-UHFFFAOYSA-N 0 0 319.493 4.110 20 10 DICDRN CN(C)c1ccc(CNc2ccc(OCC(F)(F)F)cc2)cc1 ZINC000237094572 1042523046 /nfs/dbraw/zinc/52/30/46/1042523046.db2.gz KAAIHDQPIBNWOP-UHFFFAOYSA-N 0 0 324.346 4.306 20 10 DICDRN CC[C@H]([NH2+]Cc1nc(C2CC2)cs1)c1ccc(C)cc1O ZINC000280216796 1042567519 /nfs/dbraw/zinc/56/75/19/1042567519.db2.gz UNIKFMKIIDCQOW-AWEZNQCLSA-N 0 0 302.443 4.275 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1ccc(C)cc1O ZINC000280299766 1042570258 /nfs/dbraw/zinc/57/02/58/1042570258.db2.gz ZVEWPKAMHBHVRP-GOSISDBHSA-N 0 0 313.441 4.169 20 10 DICDRN C[C@@H](CC(=O)N(C)Cc1ccccc1O)c1c[nH]c2ccccc21 ZINC000280040243 1042762937 /nfs/dbraw/zinc/76/29/37/1042762937.db2.gz ZMEXKMXMEYGKQZ-AWEZNQCLSA-N 0 0 322.408 4.026 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)OCc2ncccc2C)cc1 ZINC001269881077 1042783706 /nfs/dbraw/zinc/78/37/06/1042783706.db2.gz WTMWPCDKIOEVDE-UHFFFAOYSA-N 0 0 320.392 4.155 20 10 DICDRN CCN(C(=O)/C(C)=C/c1cccnc1)c1ccccc1Cl ZINC001270288802 1042877105 /nfs/dbraw/zinc/87/71/05/1042877105.db2.gz KOFVEOYRTSQVGH-ACCUITESSA-N 0 0 300.789 4.191 20 10 DICDRN COc1cccc(C[NH2+]Cc2cc(C)n(-c3ccccc3)c2C)c1 ZINC000017311892 1042912162 /nfs/dbraw/zinc/91/21/62/1042912162.db2.gz NEXWPEIKUWEGPF-UHFFFAOYSA-N 0 0 320.436 4.393 20 10 DICDRN COc1cc(C)cc(CNc2ccccc2C(C)(F)F)c1O ZINC000894887944 1043010006 /nfs/dbraw/zinc/01/00/06/1043010006.db2.gz AFGMFNMUMBRQDE-UHFFFAOYSA-N 0 0 307.340 4.433 20 10 DICDRN COc1cc(C)cc(CNc2ccc(OC)c(SC)c2)c1O ZINC000894982454 1043060024 /nfs/dbraw/zinc/06/00/24/1043060024.db2.gz AVWQLAWLDPEQDE-UHFFFAOYSA-N 0 0 319.426 4.052 20 10 DICDRN CC[C@@H](Nc1ccc2c(c1)OCCCO2)c1ccc(C)cc1O ZINC000794818519 1043062253 /nfs/dbraw/zinc/06/22/53/1043062253.db2.gz UBWBPGXUDRTZHM-MRXNPFEDSA-N 0 0 313.397 4.425 20 10 DICDRN CC[C@H](Nc1cc(F)c(OC)cc1OC)c1ccc(C)cc1O ZINC000794816855 1043063113 /nfs/dbraw/zinc/06/31/13/1043063113.db2.gz KWTOJRPJAUTGNF-AWEZNQCLSA-N 0 0 319.376 4.420 20 10 DICDRN O=C(CSc1nccs1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000865352647 1043085530 /nfs/dbraw/zinc/08/55/30/1043085530.db2.gz QOQPWNZTDOTBHB-DTORHVGOSA-N 0 0 309.378 4.173 20 10 DICDRN CCc1nn(C)cc1N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000777301511 1043094246 /nfs/dbraw/zinc/09/42/46/1043094246.db2.gz JMFVJQLEZWOZSS-HNNXBMFYSA-N 0 0 312.461 4.146 20 10 DICDRN CC[C@@H](C)CCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000794851534 1043113256 /nfs/dbraw/zinc/11/32/56/1043113256.db2.gz HUDMEZHJWCQZRB-QGZVFWFLSA-N 0 0 316.489 4.462 20 10 DICDRN Cc1ncc([C@@H](C)[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])s1 ZINC000865701897 1043126160 /nfs/dbraw/zinc/12/61/60/1043126160.db2.gz ROLLVHALEXVVLB-SSDOTTSWSA-N 0 0 317.241 4.315 20 10 DICDRN O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(C(F)F)cc1 ZINC000794874040 1043143315 /nfs/dbraw/zinc/14/33/15/1043143315.db2.gz WLMIGRQKHYFKRG-RAXLEYEMSA-N 0 0 322.380 4.080 20 10 DICDRN Cc1ccc(NC(=O)C(C)C)cc1N[C@@H](C)c1ccccc1O ZINC000183646447 1043169022 /nfs/dbraw/zinc/16/90/22/1043169022.db2.gz KWFBIENKPSFEDR-AWEZNQCLSA-N 0 0 312.413 4.468 20 10 DICDRN C[C@@H](Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccccc1O ZINC000183660408 1043169039 /nfs/dbraw/zinc/16/90/39/1043169039.db2.gz DHFVJNLROAVVFM-RHSMWYFYSA-N 0 0 313.397 4.123 20 10 DICDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)c1ccncn1 ZINC000777404367 1043185401 /nfs/dbraw/zinc/18/54/01/1043185401.db2.gz ZDKWAWABIKOQFW-UHFFFAOYSA-N 0 0 303.325 4.144 20 10 DICDRN Cc1csc(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])n1 ZINC000184954871 1043192364 /nfs/dbraw/zinc/19/23/64/1043192364.db2.gz AENGAZJENHAJOS-QMMMGPOBSA-N 0 0 317.241 4.315 20 10 DICDRN Cc1csc(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])n1 ZINC000184954888 1043192574 /nfs/dbraw/zinc/19/25/74/1043192574.db2.gz AENGAZJENHAJOS-MRVPVSSYSA-N 0 0 317.241 4.315 20 10 DICDRN C[C@H]([NH2+]Cc1nccs1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185087968 1043194857 /nfs/dbraw/zinc/19/48/57/1043194857.db2.gz UOUPHRQGDRMNMM-ZETCQYMHSA-N 0 0 303.214 4.006 20 10 DICDRN CCC(CC)CNC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000729503193 1043199404 /nfs/dbraw/zinc/19/94/04/1043199404.db2.gz KKQSSUQEAVKNTE-UHFFFAOYSA-N 0 0 319.493 4.110 20 10 DICDRN COc1ccc(CN[C@H](COCC(C)C)c2ccco2)cc1C ZINC000237176761 1043202206 /nfs/dbraw/zinc/20/22/06/1043202206.db2.gz HUBZGWWIJHAKJQ-QGZVFWFLSA-N 0 0 317.429 4.100 20 10 DICDRN COCc1cc(N[C@H](C)c2ccc(C)cc2O)ccc1OC ZINC000866499826 1043209872 /nfs/dbraw/zinc/20/98/72/1043209872.db2.gz QKNQJMWJRWSWDR-CYBMUJFWSA-N 0 0 301.386 4.029 20 10 DICDRN COCc1cc(N[C@H](C)c2ccc(N(C)C)cc2)ccc1OC ZINC000866497226 1043210716 /nfs/dbraw/zinc/21/07/16/1043210716.db2.gz IAVKYXZUFXZHBR-CQSZACIVSA-N 0 0 314.429 4.081 20 10 DICDRN C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000186075756 1043212531 /nfs/dbraw/zinc/21/25/31/1043212531.db2.gz OQMACQMWJOZNKM-ZJUUUORDSA-N 0 0 320.260 4.147 20 10 DICDRN CC[C@H]([NH2+][C@@H](C1CCC1)[C@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000866512542 1043215284 /nfs/dbraw/zinc/21/52/84/1043215284.db2.gz MDNXTFNXMMYRSV-JQFCIGGWSA-N 0 0 323.864 4.292 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccc(F)cc1[O-] ZINC000866610987 1043234245 /nfs/dbraw/zinc/23/42/45/1043234245.db2.gz XBLRKDRFPBSHOH-OASPWFOLSA-N 0 0 303.299 4.079 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ccc(F)c(F)c1[O-] ZINC000187674829 1043246368 /nfs/dbraw/zinc/24/63/68/1043246368.db2.gz JVGBPXUNSNYPOQ-RFAUZJTJSA-N 0 0 307.315 4.148 20 10 DICDRN CCOc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])c1 ZINC000187678337 1043249700 /nfs/dbraw/zinc/24/97/00/1043249700.db2.gz NJPPQAFPDAYKCV-NEPJUHHUSA-N 0 0 321.367 4.481 20 10 DICDRN C[C@H]([NH2+]C1(c2cccc(F)c2)CC1)c1ccc(F)c(F)c1[O-] ZINC000187860697 1043250318 /nfs/dbraw/zinc/25/03/18/1043250318.db2.gz FHJRXIDCDOXQPA-JTQLQIEISA-N 0 0 307.315 4.149 20 10 DICDRN COc1ccc(N(C)Cc2cnc(Cl)s2)cc1Cl ZINC000121865990 1043263636 /nfs/dbraw/zinc/26/36/36/1043263636.db2.gz PYVBWTIOVNPVLK-UHFFFAOYSA-N 0 0 303.214 4.095 20 10 DICDRN COC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccc(Cl)cc1 ZINC000194254158 1043290164 /nfs/dbraw/zinc/29/01/64/1043290164.db2.gz OSMNIWWJYDNETD-ZBEGNZNMSA-N 0 0 323.795 4.223 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)Nc2ccccc2)cc1 ZINC000017743789 1043321909 /nfs/dbraw/zinc/32/19/09/1043321909.db2.gz PSOPIRYUZVJKLL-UHFFFAOYSA-N 0 0 311.429 4.197 20 10 DICDRN CC[C@H]([NH2+][C@H](C)COc1ccccc1)c1ccc(F)cc1[O-] ZINC000796727239 1043364623 /nfs/dbraw/zinc/36/46/23/1043364623.db2.gz SBXSEHWORYYSFG-DYVFJYSZSA-N 0 0 303.377 4.040 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)COc1ccccc1)c1ccc(F)cc1[O-] ZINC000796727241 1043365553 /nfs/dbraw/zinc/36/55/53/1043365553.db2.gz SBXSEHWORYYSFG-SUMWQHHRSA-N 0 0 303.377 4.040 20 10 DICDRN CC[C@@H](CC(=O)N1Cc2cccc(O)c2C1)c1ccc(C)cc1 ZINC000871202724 1043367324 /nfs/dbraw/zinc/36/73/24/1043367324.db2.gz MODCZHUXHWNREL-HNNXBMFYSA-N 0 0 309.409 4.127 20 10 DICDRN Cc1ccc(C)c(NC(=O)NCc2cc3ccccc3cc2O)c1 ZINC001202774302 1043380435 /nfs/dbraw/zinc/38/04/35/1043380435.db2.gz MMLNMXPARSNUCP-UHFFFAOYSA-N 0 0 320.392 4.484 20 10 DICDRN COc1ccc(N(Cc2ncc(C3CC3)o2)C(C)C)cc1F ZINC000270533453 1043389008 /nfs/dbraw/zinc/38/90/08/1043389008.db2.gz PDQXNBOASFWHML-UHFFFAOYSA-N 0 0 304.365 4.115 20 10 DICDRN CCS[C@H](C)c1noc(CNc2ccccc2NC(C)C)n1 ZINC000871846042 1043404671 /nfs/dbraw/zinc/40/46/71/1043404671.db2.gz OYQMXUBDMWZYTN-GFCCVEGCSA-N 0 0 320.462 4.316 20 10 DICDRN CC(C)Nc1ccccc1NCc1nc(C2CCCC2)no1 ZINC000871845435 1043405417 /nfs/dbraw/zinc/40/54/17/1043405417.db2.gz AREQKDAYMGCMSV-UHFFFAOYSA-N 0 0 300.406 4.160 20 10 DICDRN CCCOc1ccc(C[NH2+][C@H](CC(=O)[O-])CC(C)(C)C)cc1C ZINC000871878457 1043412374 /nfs/dbraw/zinc/41/23/74/1043412374.db2.gz LRNAAPRTRJNVJC-MRXNPFEDSA-N 0 0 321.461 4.153 20 10 DICDRN CCCOc1ccc(C[NH2+]C[C@@H](CC(=O)[O-])C(C)(C)C)cc1C ZINC000871877786 1043412887 /nfs/dbraw/zinc/41/28/87/1043412887.db2.gz ULOHLFWDHBBYEY-MRXNPFEDSA-N 0 0 321.461 4.010 20 10 DICDRN COc1ccc2oc(NCc3ccc(N4CCCC4)cc3)nc2c1 ZINC000825584265 1043457486 /nfs/dbraw/zinc/45/74/86/1043457486.db2.gz ZZZNTJCBINFGTD-UHFFFAOYSA-N 0 0 323.396 4.049 20 10 DICDRN C[C@H](NCc1ncc(Cl)s1)c1ccc(Cl)cc1O ZINC000872111365 1043462875 /nfs/dbraw/zinc/46/28/75/1043462875.db2.gz AMQNLUXIHAFNDG-ZETCQYMHSA-N 0 0 303.214 4.006 20 10 DICDRN CC[C@H]([NH2+]Cc1cc(N)cc(F)c1)c1cccc(Cl)c1[O-] ZINC000873288274 1043531878 /nfs/dbraw/zinc/53/18/78/1043531878.db2.gz AFNSHMPDTBZDKR-HNNXBMFYSA-N 0 0 308.784 4.008 20 10 DICDRN C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(N)cc1 ZINC000926143921 1043533742 /nfs/dbraw/zinc/53/37/42/1043533742.db2.gz QUOSSOKGIVERSW-RDTXWAMCSA-N 0 0 309.413 4.069 20 10 DICDRN CC1(C)C[C@@H](c2ccccc2)CN1C(=O)Nc1ccc(N)cc1 ZINC000926140964 1043533847 /nfs/dbraw/zinc/53/38/47/1043533847.db2.gz CRCNVVIAOQVDTD-OAHLLOKOSA-N 0 0 309.413 4.069 20 10 DICDRN Nc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 ZINC000020327105 1043576676 /nfs/dbraw/zinc/57/66/76/1043576676.db2.gz UDLVHIBUPLFMGF-UHFFFAOYSA-N 0 0 316.404 4.430 20 10 DICDRN C[C@H]([NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1ccc(F)cc1[O-] ZINC000926974127 1043665077 /nfs/dbraw/zinc/66/50/77/1043665077.db2.gz PUSCOEFNYRCEPF-UXEPBGEESA-N 0 0 321.342 4.231 20 10 DICDRN C[C@@H]([NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1c([O-])cccc1F ZINC000926976162 1043666169 /nfs/dbraw/zinc/66/61/69/1043666169.db2.gz GQYBYDJZRLTESW-CJBNDPTMSA-N 0 0 321.342 4.231 20 10 DICDRN CC[C@@H]([NH2+][C@H](c1cnn(C)c1)C(C)C)c1cccc(Cl)c1[O-] ZINC000927070102 1043682365 /nfs/dbraw/zinc/68/23/65/1043682365.db2.gz NVAGHMLMCPDHOP-CVEARBPZSA-N 0 0 321.852 4.217 20 10 DICDRN COc1ccc(C2CC2)cc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000895538453 1043701988 /nfs/dbraw/zinc/70/19/88/1043701988.db2.gz DHFXURVJASTNHK-UHFFFAOYSA-N 0 0 317.816 4.221 20 10 DICDRN CC(C)Oc1ccccc1[C@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000876937590 1043727067 /nfs/dbraw/zinc/72/70/67/1043727067.db2.gz ZDLAPRPLSKHIMH-LBPRGKRZSA-N 0 0 321.367 4.308 20 10 DICDRN [O-]c1c(F)c(F)ccc1C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000876973810 1043727613 /nfs/dbraw/zinc/72/76/13/1043727613.db2.gz QHGGPXFNSQSMLD-AWEZNQCLSA-N 0 0 309.743 4.101 20 10 DICDRN [O-]c1c(F)c(F)ccc1C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000876973145 1043728756 /nfs/dbraw/zinc/72/87/56/1043728756.db2.gz BNFSSJCAPGJQNH-AWEZNQCLSA-N 0 0 309.743 4.101 20 10 DICDRN CCOc1ccc(OC)cc1N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000777675809 1043736007 /nfs/dbraw/zinc/73/60/07/1043736007.db2.gz AHBAGQUMAIEFMW-AWEZNQCLSA-N 0 0 314.429 4.333 20 10 DICDRN CC(C)(C)OCc1ccccc1NC(=O)C1=CC(=O)CS1 ZINC000928389362 1043747118 /nfs/dbraw/zinc/74/71/18/1043747118.db2.gz UMMWZCWOJFYWSM-UHFFFAOYSA-N 0 0 305.399 4.021 20 10 DICDRN C[C@]1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCCS1 ZINC000126502328 1043760556 /nfs/dbraw/zinc/76/05/56/1043760556.db2.gz XCPMKMCJQCAXDE-CYBMUJFWSA-N 0 0 306.258 4.074 20 10 DICDRN COc1cc(OC)c(N[C@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000777701329 1043769025 /nfs/dbraw/zinc/76/90/25/1043769025.db2.gz DLTOLTSKCNIMHV-GFCCVEGCSA-N 0 0 318.392 4.082 20 10 DICDRN CC(C)(C)c1nc(COc2ccc(N3CCCC3)cc2)co1 ZINC000877878916 1043816382 /nfs/dbraw/zinc/81/63/82/1043816382.db2.gz HUCQSAYMDQYYDG-UHFFFAOYSA-N 0 0 300.402 4.151 20 10 DICDRN C[N@H+](Cc1cccc(F)c1[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000290124275 1043919521 /nfs/dbraw/zinc/91/95/21/1043919521.db2.gz JDWUEPFWNSFMAF-TXEJJXNPSA-N 0 0 305.315 4.084 20 10 DICDRN C[C@@H](NCc1cscn1)c1ccc(N2CCCCCC2)cc1 ZINC000127350756 1043920907 /nfs/dbraw/zinc/92/09/07/1043920907.db2.gz QYQLZFQVZJIYNI-OAHLLOKOSA-N 0 0 315.486 4.374 20 10 DICDRN C[C@H](NC(=O)CC(C)(C)CC(F)F)c1ccc(N(C)C)cc1 ZINC000879539504 1043972612 /nfs/dbraw/zinc/97/26/12/1043972612.db2.gz XQVROPPQRFKWPE-LBPRGKRZSA-N 0 0 312.404 4.001 20 10 DICDRN Cc1ccccc1-c1noc([C@@H](C)N[C@H](C)c2ccccc2O)n1 ZINC000879648619 1043975665 /nfs/dbraw/zinc/97/56/65/1043975665.db2.gz WMNDTSNFDIBQBP-ZIAGYGMSSA-N 0 0 323.396 4.162 20 10 DICDRN Cc1cccc(-c2nnc([C@@H](C)N[C@H](C)c3ccccc3O)o2)c1 ZINC000879649047 1043980040 /nfs/dbraw/zinc/98/00/40/1043980040.db2.gz KDNXDDMRTJUPDB-ZIAGYGMSSA-N 0 0 323.396 4.162 20 10 DICDRN CC(C)Oc1cccc(NC(=O)N[C@H](C)c2ccccc2O)c1 ZINC000879749357 1043986737 /nfs/dbraw/zinc/98/67/37/1043986737.db2.gz HHMSKFUJWQHHTG-CYBMUJFWSA-N 0 0 314.385 4.062 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cccc(F)c1 ZINC000020473375 1044036530 /nfs/dbraw/zinc/03/65/30/1044036530.db2.gz VMFFJDXJNMTIOA-UHFFFAOYSA-N 0 0 300.160 4.128 20 10 DICDRN CN(Cc1ccccc1O)C(=O)Nc1cccc(C2CCC2)c1 ZINC000292175771 1044145353 /nfs/dbraw/zinc/14/53/53/1044145353.db2.gz YXLKDEHHNCYQJF-UHFFFAOYSA-N 0 0 310.397 4.324 20 10 DICDRN Cc1ccc(O)c(CNc2cnn(CC(C)C)c2C(F)F)c1 ZINC000778110111 1044153955 /nfs/dbraw/zinc/15/39/55/1044153955.db2.gz GRYLDNCYODOTTD-UHFFFAOYSA-N 0 0 309.360 4.103 20 10 DICDRN Cc1ccc(O)c(CN[C@@H](CCc2ccccc2)C(F)(F)F)c1 ZINC000778122330 1044160092 /nfs/dbraw/zinc/16/00/92/1044160092.db2.gz FLGMOWQTAKBEGL-KRWDZBQOSA-N 0 0 323.358 4.354 20 10 DICDRN C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4ccc(N)cc4)cc3c2C1 ZINC000212540510 1044185773 /nfs/dbraw/zinc/18/57/73/1044185773.db2.gz DLMNEJSJLQEJMK-GFCCVEGCSA-N 0 0 319.408 4.127 20 10 DICDRN CCc1ccc([C@H](C)CC(=O)N(C)Cc2ccccc2O)cc1 ZINC000130524013 1044204602 /nfs/dbraw/zinc/20/46/02/1044204602.db2.gz QPEFAKYPIKNDEF-OAHLLOKOSA-N 0 0 311.425 4.107 20 10 DICDRN Oc1c(F)cc(F)cc1CNc1cccc(COCC2CC2)c1 ZINC000882923969 1044205934 /nfs/dbraw/zinc/20/59/34/1044205934.db2.gz ROGDOUKWBKPCKJ-UHFFFAOYSA-N 0 0 319.351 4.209 20 10 DICDRN COc1ccc(N(Cc2ccc(Cl)cn2)C(C)C)cc1F ZINC000778219381 1044224024 /nfs/dbraw/zinc/22/40/24/1044224024.db2.gz CQSJOISGCLQIJE-UHFFFAOYSA-N 0 0 308.784 4.298 20 10 DICDRN COc1ccc(C2CC2)cc1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000883265762 1044253515 /nfs/dbraw/zinc/25/35/15/1044253515.db2.gz KEEOPRRLWLZRDB-LBPRGKRZSA-N 0 0 315.388 4.268 20 10 DICDRN CC[C@H]([NH2+]C[C@H]1C[C@H](OC)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000883272932 1044257545 /nfs/dbraw/zinc/25/75/45/1044257545.db2.gz ZUMAQSSWYDGYCE-KWBADKCTSA-N 0 0 318.244 4.165 20 10 DICDRN CCC(=O)N(C)c1ccc(N[C@H](C)c2ccc(C)cc2O)cc1 ZINC000883314366 1044267206 /nfs/dbraw/zinc/26/72/06/1044267206.db2.gz DBOYMLLYNIIWFP-CQSZACIVSA-N 0 0 312.413 4.247 20 10 DICDRN CC[C@@H]([NH2+][C@H]1C[C@@H](COC)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000883319584 1044271489 /nfs/dbraw/zinc/27/14/89/1044271489.db2.gz IHXFGMAOQCJEGV-GBIKHYSHSA-N 0 0 318.244 4.165 20 10 DICDRN CC1(CCC(=O)N(Cc2ccco2)Cc2ccccc2O)CC1 ZINC000934699934 1044273162 /nfs/dbraw/zinc/27/31/62/1044273162.db2.gz MMCXXHNXHZVUJO-UHFFFAOYSA-N 0 0 313.397 4.094 20 10 DICDRN Cc1cccnc1[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])C(C)C ZINC000293567400 1044298790 /nfs/dbraw/zinc/29/87/90/1044298790.db2.gz IQWDMBWTGDWVQI-INIZCTEOSA-N 0 0 322.811 4.375 20 10 DICDRN COC1CCC([NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000840793350 1044301371 /nfs/dbraw/zinc/30/13/71/1044301371.db2.gz XWPNTROPAXHYBW-KPPDAEKUSA-N 0 0 318.244 4.307 20 10 DICDRN Oc1c(Cl)cccc1CNc1ccc([C@H]2CCOC2)cc1 ZINC000293621697 1044306655 /nfs/dbraw/zinc/30/66/55/1044306655.db2.gz KUPTVHOQPYQTEA-AWEZNQCLSA-N 0 0 303.789 4.162 20 10 DICDRN CN(C/C=C\c1ccccc1[N+](=O)[O-])c1ccc2cc[nH]c2c1 ZINC000475327712 1044360912 /nfs/dbraw/zinc/36/09/12/1044360912.db2.gz FHADAHHSCYEIBQ-XQRVVYSFSA-N 0 0 307.353 4.226 20 10 DICDRN Cc1ccc(CNC(=S)Nc2cccc(C(C)C)c2)nc1C ZINC000840845204 1044378674 /nfs/dbraw/zinc/37/86/74/1044378674.db2.gz YRYKKKYGCZRVGI-UHFFFAOYSA-N 0 0 313.470 4.308 20 10 DICDRN C[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000840859085 1044394141 /nfs/dbraw/zinc/39/41/41/1044394141.db2.gz HBNFACNWVBQLQO-HRDYMLBCSA-N 0 0 306.258 4.244 20 10 DICDRN C=Cc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000760112240 1044399763 /nfs/dbraw/zinc/39/97/63/1044399763.db2.gz FYDSVQFHTNNXCB-UHFFFAOYSA-N 0 0 320.436 4.200 20 10 DICDRN COc1ccc(O)c([C@@H](C)Nc2ccc(OC(F)F)cc2)c1 ZINC000192908658 1044400393 /nfs/dbraw/zinc/40/03/93/1044400393.db2.gz SZYBRSGPSLWJKD-SNVBAGLBSA-N 0 0 309.312 4.175 20 10 DICDRN C[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccc2ccccc2c1O ZINC000192914114 1044402199 /nfs/dbraw/zinc/40/21/99/1044402199.db2.gz AGFJHTHISHINMR-KDOFPFPSSA-N 0 0 324.424 4.092 20 10 DICDRN CCN(CC)c1ccc(CNc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000320872990 1044457975 /nfs/dbraw/zinc/45/79/75/1044457975.db2.gz RLFRIGMFAJUQCA-UHFFFAOYSA-N 0 0 317.364 4.192 20 10 DICDRN COc1ccc(O)c([C@H](C)Nc2ccc([C@@H]3CCOC3)cc2)c1 ZINC000295020509 1044480322 /nfs/dbraw/zinc/48/03/22/1044480322.db2.gz NRIKAKMDWOKAJV-DZGCQCFKSA-N 0 0 313.397 4.078 20 10 DICDRN CC[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000134907353 1044533485 /nfs/dbraw/zinc/53/34/85/1044533485.db2.gz MUYAEASGFILXFP-HTQZYQBOSA-N 0 0 306.631 4.257 20 10 DICDRN C[C@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)c1ccc(F)c(F)c1[O-] ZINC000295849994 1044567215 /nfs/dbraw/zinc/56/72/15/1044567215.db2.gz AYRNSYFFGPJFID-JRPNMDOOSA-N 0 0 319.351 4.233 20 10 DICDRN CC(C)(C)c1ccncc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000840959949 1044569984 /nfs/dbraw/zinc/56/99/84/1044569984.db2.gz YXMJYJRFJKXICK-UHFFFAOYSA-N 0 0 304.821 4.028 20 10 DICDRN CC(C)[C@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)c1cccnc1 ZINC000886536741 1044655888 /nfs/dbraw/zinc/65/58/88/1044655888.db2.gz NWCXOSOZIDEIMC-ZFWWWQNUSA-N 0 0 302.393 4.017 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)c1c([O-])cccc1F ZINC000886551538 1044659075 /nfs/dbraw/zinc/65/90/75/1044659075.db2.gz JSPTWNLVHFFQDH-ZIAGYGMSSA-N 0 0 307.409 4.064 20 10 DICDRN CC(C)C(=O)Nc1cccc(N[C@@H](C)c2c(O)cccc2F)c1 ZINC000886566121 1044660038 /nfs/dbraw/zinc/66/00/38/1044660038.db2.gz JJFBCXMNJAVZBT-LBPRGKRZSA-N 0 0 316.376 4.299 20 10 DICDRN CCCCCn1cc(C[NH2+][C@H](C)c2c([O-])cccc2F)c(C)n1 ZINC000886560083 1044660570 /nfs/dbraw/zinc/66/05/70/1044660570.db2.gz MVXONJWZFPZCKF-CQSZACIVSA-N 0 0 319.424 4.077 20 10 DICDRN COc1cc(C)c(N[C@@H](C)c2c(O)cccc2F)cc1OC ZINC000886564358 1044661282 /nfs/dbraw/zinc/66/12/82/1044661282.db2.gz UTNJPCCDKBVRBT-NSHDSACASA-N 0 0 305.349 4.030 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCCOc2cc(F)ccc21)c1c([O-])cccc1F ZINC000886580212 1044662875 /nfs/dbraw/zinc/66/28/75/1044662875.db2.gz AAPDRUVWIGKRHH-XHDPSFHLSA-N 0 0 319.351 4.235 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)c1c([O-])cccc1F ZINC000886592657 1044666425 /nfs/dbraw/zinc/66/64/25/1044666425.db2.gz ZLGROGKTSJJCMZ-JOQOYGCGSA-N 0 0 315.388 4.102 20 10 DICDRN Cc1c(N[C@H](C)c2c(O)cccc2F)cnn1C1CCCC1 ZINC000886600734 1044666835 /nfs/dbraw/zinc/66/68/35/1044666835.db2.gz ACYLHQBORIBZKA-LLVKDONJSA-N 0 0 303.381 4.324 20 10 DICDRN C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccccc2)C1)c1c([O-])cccc1F ZINC000886592655 1044666949 /nfs/dbraw/zinc/66/69/49/1044666949.db2.gz ZLGROGKTSJJCMZ-DHSIGJKJSA-N 0 0 315.388 4.102 20 10 DICDRN CSc1cccc(F)c1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886608803 1044668932 /nfs/dbraw/zinc/66/89/32/1044668932.db2.gz GEGNWQLTPTUVAK-JTQLQIEISA-N 0 0 309.381 4.243 20 10 DICDRN C[C@H]([NH2+]C1CCC(OC(C)(C)C)CC1)c1c([O-])cccc1F ZINC000886644412 1044671953 /nfs/dbraw/zinc/67/19/53/1044671953.db2.gz CKWMTBWLBIZGAB-HSBZDZAISA-N 0 0 309.425 4.308 20 10 DICDRN COc1ccc(Cl)c(N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000043316566 1044685504 /nfs/dbraw/zinc/68/55/04/1044685504.db2.gz ALJXCZVIEZQZKG-JTQLQIEISA-N 0 0 307.777 4.236 20 10 DICDRN CC[C@@H](Nc1cccc([C@H]2CCCC(=O)N2)c1)c1ccccc1O ZINC000886806420 1044705463 /nfs/dbraw/zinc/70/54/63/1044705463.db2.gz UBLZLJJIYYRNPD-QZTJIDSGSA-N 0 0 324.424 4.297 20 10 DICDRN C[C@H](NC(=O)N(C)Cc1ccccc1O)c1cc2ccccc2o1 ZINC000043865734 1044716119 /nfs/dbraw/zinc/71/61/19/1044716119.db2.gz JPWKBMOKEXVESZ-ZDUSSCGKSA-N 0 0 324.380 4.041 20 10 DICDRN Cc1cc(CCCC(=O)N(C)Cc2ccccc2O)c(C)s1 ZINC000084631262 1044727497 /nfs/dbraw/zinc/72/74/97/1044727497.db2.gz PYBNNUXZHVXWFC-UHFFFAOYSA-N 0 0 317.454 4.052 20 10 DICDRN C[C@H]([NH2+][C@@H]1CC(C)(C)Oc2cc(F)ccc21)c1ccccc1O ZINC000367828746 1044756246 /nfs/dbraw/zinc/75/62/46/1044756246.db2.gz WCUSRLFQNMGRFI-BLLLJJGKSA-N 0 0 315.388 4.484 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCCC(F)(F)F ZINC000097988987 1044790436 /nfs/dbraw/zinc/79/04/36/1044790436.db2.gz MZXSAICRUVPDCJ-UHFFFAOYSA-N 0 0 302.123 4.131 20 10 DICDRN C[C@@H]([NH2+]Cc1cccc(-c2cccnc2)c1)c1ccccc1O ZINC000372096284 1044906864 /nfs/dbraw/zinc/90/68/64/1044906864.db2.gz ROTUBWYACJHXNV-OAHLLOKOSA-N 0 0 304.393 4.305 20 10 DICDRN CCC[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000302057201 1044965653 /nfs/dbraw/zinc/96/56/53/1044965653.db2.gz WCJSVDZVZOPSEY-HXUWFJFHSA-N 0 0 324.468 4.295 20 10 DICDRN Cc1c(F)nccc1N(c1ccc(N)cc1)c1ccc(N)cc1 ZINC001212844575 1044984275 /nfs/dbraw/zinc/98/42/75/1044984275.db2.gz ATJRFPVTPLAUJZ-UHFFFAOYSA-N 0 0 308.360 4.163 20 10 DICDRN CCC[C@H](CC1CCCCC1)C(=O)NCc1ccc(O)c(O)c1 ZINC000778919878 1045034190 /nfs/dbraw/zinc/03/41/90/1045034190.db2.gz OJDBABLOIGUVPL-MRXNPFEDSA-N 0 0 319.445 4.101 20 10 DICDRN CCc1cccc(CC)c1NC(=O)N(C)Cc1ccccc1O ZINC000047344929 1045048983 /nfs/dbraw/zinc/04/89/83/1045048983.db2.gz CXNJLOWGNDDUOP-UHFFFAOYSA-N 0 0 312.413 4.181 20 10 DICDRN CCc1noc(C)c1CSc1ncc(-c2ccccc2)n1C ZINC000159035037 1045099466 /nfs/dbraw/zinc/09/94/66/1045099466.db2.gz IPEKZFDGWDHCJF-UHFFFAOYSA-N 0 0 313.426 4.238 20 10 DICDRN Cc1ccc(O)c(CNc2nnc(C3CCCCC3)s2)c1 ZINC000777511133 1045161999 /nfs/dbraw/zinc/16/19/99/1045161999.db2.gz CVCWFXIFDCKIFJ-UHFFFAOYSA-N 0 0 303.431 4.212 20 10 DICDRN CCCCc1nnc(NCc2ccc(N(CC)CC)c(F)c2)o1 ZINC000777516358 1045164121 /nfs/dbraw/zinc/16/41/21/1045164121.db2.gz WPLLLGODARAZMR-UHFFFAOYSA-N 0 0 320.412 4.010 20 10 DICDRN Cc1cc(O)c(CNc2cc(C)c(Br)cn2)cc1C ZINC000777514828 1045165186 /nfs/dbraw/zinc/16/51/86/1045165186.db2.gz FWPXXXOPLNTSAM-UHFFFAOYSA-N 0 0 321.218 4.087 20 10 DICDRN Cc1cc(O)c(CNc2nnc(CC3CCCCC3)o2)cc1C ZINC000777514678 1045165935 /nfs/dbraw/zinc/16/59/35/1045165935.db2.gz CIXIEEJSBDMMDE-UHFFFAOYSA-N 0 0 315.417 4.127 20 10 DICDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(C)c1C ZINC000007666881 1045210610 /nfs/dbraw/zinc/21/06/10/1045210610.db2.gz QHRZPMLMRHBPSB-UHFFFAOYSA-N 0 0 319.364 4.120 20 10 DICDRN CN(Cc1ccccc1O)C(=O)Nc1csc2ccccc12 ZINC000779093218 1045268577 /nfs/dbraw/zinc/26/85/77/1045268577.db2.gz AIDDHYWZBOIKDD-UHFFFAOYSA-N 0 0 312.394 4.271 20 10 DICDRN CC[C@H](C)n1ncc(NCc2cc(F)ccc2O)c1C1CC1 ZINC000779108489 1045286059 /nfs/dbraw/zinc/28/60/59/1045286059.db2.gz ZRYQYACJBOTKPV-NSHDSACASA-N 0 0 303.381 4.188 20 10 DICDRN Cc1cccc(CN[C@H](CCc2ccccc2)C(F)(F)F)c1O ZINC000779152333 1045324368 /nfs/dbraw/zinc/32/43/68/1045324368.db2.gz KTBYNAADAKXOHA-MRXNPFEDSA-N 0 0 323.358 4.354 20 10 DICDRN CC(C)(C)c1cnc(SC[C@@H]2CC3(CCC3)C(=O)O2)s1 ZINC000188077015 1045334592 /nfs/dbraw/zinc/33/45/92/1045334592.db2.gz FMCCJKSERVSVBH-JTQLQIEISA-N 0 0 311.472 4.019 20 10 DICDRN Cc1cnc(CN(C)c2ccc(OCc3ccccc3)cc2)o1 ZINC000189647100 1045360964 /nfs/dbraw/zinc/36/09/64/1045360964.db2.gz LHFHPJROUSUCKP-UHFFFAOYSA-N 0 0 308.381 4.198 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000529644557 1045505689 /nfs/dbraw/zinc/50/56/89/1045505689.db2.gz OTVIEMXBHFRYJW-INIZCTEOSA-N 0 0 302.805 4.072 20 10 DICDRN O=C1N=C(N2CCCCC2)S/C1=C/c1ccccc1C1CC1 ZINC000750817051 1045558380 /nfs/dbraw/zinc/55/83/80/1045558380.db2.gz BKHDBZWBVBQAKR-FOWTUZBSSA-N 0 0 312.438 4.020 20 10 DICDRN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C(C)(C)C)c1[O-] ZINC001307504701 1045558517 /nfs/dbraw/zinc/55/85/17/1045558517.db2.gz BGQRRKAHLOTVQX-HNNXBMFYSA-N 0 0 309.837 4.259 20 10 DICDRN Nc1ccc(CC(=O)N[C@@H]2CCC[C@H](c3ccccc3)CC2)cc1 ZINC001122290945 1045563350 /nfs/dbraw/zinc/56/33/50/1045563350.db2.gz MREOZTKMYGKBRT-AZUAARDMSA-N 0 0 322.452 4.044 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)c1ccccc1Cl ZINC000750862061 1045564424 /nfs/dbraw/zinc/56/44/24/1045564424.db2.gz NYFHAAWDNXVBAT-UHFFFAOYSA-N 0 0 303.789 4.098 20 10 DICDRN Cc1cccc(NC2=NC(=O)C(=Cc3ccccc3F)S2)c1 ZINC000016439023 1045568444 /nfs/dbraw/zinc/56/84/44/1045568444.db2.gz MAQVWSYFAYVOAE-XNTDXEJSSA-N 0 0 312.369 4.217 20 10 DICDRN Cc1ccc(NC(=O)Nc2nc3ccccc3n2C)cc1Cl ZINC001202800073 1045577302 /nfs/dbraw/zinc/57/73/02/1045577302.db2.gz GOEMHKNYFLSRAL-UHFFFAOYSA-N 0 0 314.776 4.179 20 10 DICDRN C[C@H]([NH2+]CCc1ccco1)c1ccc(Cl)c(Cl)c1[O-] ZINC000119881572 1045581881 /nfs/dbraw/zinc/58/18/81/1045581881.db2.gz BYVYPDOTSZTOSU-VIFPVBQESA-N 0 0 300.185 4.185 20 10 DICDRN Oc1cccc(Cl)c1CNc1ccc(-c2csnn2)cc1 ZINC000119671456 1045581914 /nfs/dbraw/zinc/58/19/14/1045581914.db2.gz YZBRCLCJHGJHNF-UHFFFAOYSA-N 0 0 317.801 4.176 20 10 DICDRN COc1ccc(O)c([C@H](C)Nc2ccc3scnc3c2)c1 ZINC000190702447 1045602822 /nfs/dbraw/zinc/60/28/22/1045602822.db2.gz GHGCTGUVXWUXRV-JTQLQIEISA-N 0 0 300.383 4.184 20 10 DICDRN COCC1(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])CCC1 ZINC000800492853 1045632565 /nfs/dbraw/zinc/63/25/65/1045632565.db2.gz GHOXPYVZVCPGEN-JTQLQIEISA-N 0 0 318.244 4.166 20 10 DICDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H]2CCCCC2(C)C)c1 ZINC000752622700 1045692761 /nfs/dbraw/zinc/69/27/61/1045692761.db2.gz XAIGRKMSNSFVCG-KGLIPLIRSA-N 0 0 319.445 4.185 20 10 DICDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@H]2CCCCC2(C)C)c1 ZINC000752622702 1045693002 /nfs/dbraw/zinc/69/30/02/1045693002.db2.gz XAIGRKMSNSFVCG-ZIAGYGMSSA-N 0 0 319.445 4.185 20 10 DICDRN CCc1cccnc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000752649277 1045694631 /nfs/dbraw/zinc/69/46/31/1045694631.db2.gz SOJGBQYZAHIIGI-UHFFFAOYSA-N 0 0 319.408 4.304 20 10 DICDRN Cc1cc(NCc2ccccc2O)c2ccc(F)c(F)c2n1 ZINC000752896795 1045712927 /nfs/dbraw/zinc/71/29/27/1045712927.db2.gz RTOAAFMEMZKASP-UHFFFAOYSA-N 0 0 300.308 4.139 20 10 DICDRN CCCC[C@@H](C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001124549044 1045720279 /nfs/dbraw/zinc/72/02/79/1045720279.db2.gz ANQPNWOLTDETDF-MRXNPFEDSA-N 0 0 302.462 4.072 20 10 DICDRN CCCCC[C@H](C(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC001124553515 1045720757 /nfs/dbraw/zinc/72/07/57/1045720757.db2.gz PSOXLZDJDCREDY-SFHVURJKSA-N 0 0 304.478 4.221 20 10 DICDRN C=Cc1ccc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)cc1 ZINC001124622643 1045734759 /nfs/dbraw/zinc/73/47/59/1045734759.db2.gz JLOPQIABOBIHMR-UHFFFAOYSA-N 0 0 320.436 4.202 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)C=C(C1CC1)C1CC1 ZINC000801546554 1045734900 /nfs/dbraw/zinc/73/49/00/1045734900.db2.gz UEIKSHCFFKIZOA-UHFFFAOYSA-N 0 0 313.441 4.267 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)/C=C\c1ccsc1 ZINC000801549292 1045734951 /nfs/dbraw/zinc/73/49/51/1045734951.db2.gz JDENYTYYFWOXDZ-HJWRWDBZSA-N 0 0 315.438 4.296 20 10 DICDRN CC[C@@H](CC(C)C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001124622124 1045735148 /nfs/dbraw/zinc/73/51/48/1045735148.db2.gz CMOZUNBDHKNAQH-SFHVURJKSA-N 0 0 316.489 4.318 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCC1(C)C ZINC000801545878 1045735974 /nfs/dbraw/zinc/73/59/74/1045735974.db2.gz FLZCPIXWCLJUHZ-INIZCTEOSA-N 0 0 303.446 4.347 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)C(F)=C1CCCC1 ZINC000801548322 1045736110 /nfs/dbraw/zinc/73/61/10/1045736110.db2.gz RZEVCEOMSPMBJA-UHFFFAOYSA-N 0 0 305.393 4.319 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC(C)(C)C1 ZINC000801551336 1045737056 /nfs/dbraw/zinc/73/70/56/1045737056.db2.gz LMMCKXFUABIEGY-OAHLLOKOSA-N 0 0 303.446 4.347 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)C(C)=C1CCCC1 ZINC000801548570 1045737237 /nfs/dbraw/zinc/73/72/37/1045737237.db2.gz XXBSNNLXVYUGBJ-UHFFFAOYSA-N 0 0 301.430 4.411 20 10 DICDRN Cc1ccc(/C=C\C(=O)N(C)c2c(Cl)cccc2Cl)cn1 ZINC000779472670 1045753563 /nfs/dbraw/zinc/75/35/63/1045753563.db2.gz AWJFJAALFUDHSB-HJWRWDBZSA-N 0 0 321.207 4.373 20 10 DICDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000779473003 1045753754 /nfs/dbraw/zinc/75/37/54/1045753754.db2.gz DQNDVTXRSLAHEV-KXFIGUGUSA-N 0 0 324.163 4.057 20 10 DICDRN CC1([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCC(F)(F)CC1 ZINC000753569216 1045762745 /nfs/dbraw/zinc/76/27/45/1045762745.db2.gz KZAZVKNTHPHFNY-UHFFFAOYSA-N 0 0 307.743 4.242 20 10 DICDRN Cn1cc(NCc2cccc(Cl)c2O)c(-c2ccccc2)n1 ZINC000753567906 1045763839 /nfs/dbraw/zinc/76/38/39/1045763839.db2.gz JYPBRPVBACCVFD-UHFFFAOYSA-N 0 0 313.788 4.058 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)/C=C1\CC[C@@H](C)C1 ZINC000753580276 1045767089 /nfs/dbraw/zinc/76/70/89/1045767089.db2.gz CMKDXQFICYGFSS-APVMCDBPSA-N 0 0 314.473 4.236 20 10 DICDRN CCC(CC)(CC)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001124905919 1045795926 /nfs/dbraw/zinc/79/59/26/1045795926.db2.gz XRTBLFJJKCDXMH-UHFFFAOYSA-N 0 0 316.489 4.460 20 10 DICDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CC[C@H](C(C)C)CC2)c1 ZINC000753788817 1045803397 /nfs/dbraw/zinc/80/33/97/1045803397.db2.gz QLUSBSIJSSAZSG-RBSFLKMASA-N 0 0 319.445 4.040 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCC[C@@H](C)C2)cc1 ZINC001124944291 1045809928 /nfs/dbraw/zinc/80/99/28/1045809928.db2.gz UVWMRUKXZQVFIK-KDOFPFPSSA-N 0 0 310.441 4.403 20 10 DICDRN C[C@]1(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCOC1 ZINC000753995052 1045828756 /nfs/dbraw/zinc/82/87/56/1045828756.db2.gz PQTOVPFJXPHTSB-SFHVURJKSA-N 0 0 309.369 4.467 20 10 DICDRN C[C@@H](Nc1ccc2scnc2c1)c1cc(F)cc(F)c1O ZINC000754123466 1045850903 /nfs/dbraw/zinc/85/09/03/1045850903.db2.gz LBDAJRPOVVQADX-MRVPVSSYSA-N 0 0 306.337 4.453 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000801993305 1045873657 /nfs/dbraw/zinc/87/36/57/1045873657.db2.gz HAARLCLGTGAUOT-WBVHZDCISA-N 0 0 318.461 4.283 20 10 DICDRN O=C1/C(=C\c2cccs2)SC(=S)N1Cc1cccs1 ZINC000192692026 1045921368 /nfs/dbraw/zinc/92/13/68/1045921368.db2.gz RBADLEBNDNYWRY-YRNVUSSQSA-N 0 0 323.489 4.211 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCC1(C)C ZINC000802225554 1045925602 /nfs/dbraw/zinc/92/56/02/1045925602.db2.gz YIRTYTWTWDWLJY-KRWDZBQOSA-N 0 0 318.461 4.283 20 10 DICDRN COc1ccc(OC(F)F)c(N[C@H](C)c2ccc(C)cc2O)c1 ZINC000192764246 1045930371 /nfs/dbraw/zinc/93/03/71/1045930371.db2.gz BCDTZSYVKGVTQA-LLVKDONJSA-N 0 0 323.339 4.484 20 10 DICDRN CCOc1ccc(N[C@H](CC)c2ccccc2O)cc1OC ZINC000192782790 1045932811 /nfs/dbraw/zinc/93/28/11/1045932811.db2.gz QTHYKDSQLXLLJB-OAHLLOKOSA-N 0 0 301.386 4.363 20 10 DICDRN Cc1ccc([C@@H](C)Nc2ccc(OC(F)F)nc2)c(O)c1C ZINC000802321169 1045953599 /nfs/dbraw/zinc/95/35/99/1045953599.db2.gz QERJLMVBHWIMEE-LLVKDONJSA-N 0 0 308.328 4.179 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[C@@H]1C ZINC000802314230 1045953927 /nfs/dbraw/zinc/95/39/27/1045953927.db2.gz ANXCDQMENYYYHX-HOTGVXAUSA-N 0 0 318.461 4.140 20 10 DICDRN CCOc1ccc(N[C@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000192996644 1045960006 /nfs/dbraw/zinc/96/00/06/1045960006.db2.gz HCQXAPDATGFINW-CQSZACIVSA-N 0 0 314.429 4.333 20 10 DICDRN CC(C)(C)c1cnc(SCc2nnc(C3CC3)s2)s1 ZINC000829297870 1045965474 /nfs/dbraw/zinc/96/54/74/1045965474.db2.gz JZKYQIZJIQQNJO-UHFFFAOYSA-N 0 0 311.501 4.462 20 10 DICDRN Cc1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(Cl)c1 ZINC000755387004 1045980188 /nfs/dbraw/zinc/98/01/88/1045980188.db2.gz UEUNSMGEHKVKEB-ZDUSSCGKSA-N 0 0 316.832 4.205 20 10 DICDRN [O-]c1cccc(F)c1C[NH+]1CCC(c2ccccc2F)CC1 ZINC001137837827 1045980238 /nfs/dbraw/zinc/98/02/38/1045980238.db2.gz WCYRWYNWBBWKMW-UHFFFAOYSA-N 0 0 303.352 4.050 20 10 DICDRN Cc1cc(C[N@@H+](C)Cc2ccccn2)c(C)n1-c1ccccc1 ZINC001137854484 1045984852 /nfs/dbraw/zinc/98/48/52/1045984852.db2.gz YHUGDMPEQSUQOX-UHFFFAOYSA-N 0 0 305.425 4.121 20 10 DICDRN Cc1cc(CN2Cc3ccncc3C2)c(C)n1-c1ccccc1 ZINC001137857916 1045987175 /nfs/dbraw/zinc/98/71/75/1045987175.db2.gz OEFHQPTWWPEFAT-UHFFFAOYSA-N 0 0 303.409 4.005 20 10 DICDRN Cc1ccc(NC(=O)N[C@H](C)c2ccccc2O)cc1Cl ZINC001202811852 1045987855 /nfs/dbraw/zinc/98/78/55/1045987855.db2.gz WOYBEDHODHKQCA-LLVKDONJSA-N 0 0 304.777 4.237 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)Cc1cc(F)cc(F)c1F ZINC001137875334 1045993724 /nfs/dbraw/zinc/99/37/24/1045993724.db2.gz QRWUFGOKWCJWCI-UHFFFAOYSA-N 0 0 322.374 4.192 20 10 DICDRN Cc1cc(C)c(CNC(=O)Nc2ccc(C)c(Cl)c2)c(O)c1 ZINC001202812459 1046000119 /nfs/dbraw/zinc/00/01/19/1046000119.db2.gz GMHTYTILZKNQTP-UHFFFAOYSA-N 0 0 318.804 4.293 20 10 DICDRN CC1(C)CN(C(=O)/C=C\c2cccnc2)c2ccccc2S1 ZINC000755624173 1046003015 /nfs/dbraw/zinc/00/30/15/1046003015.db2.gz VAWKKRQUTJDUAR-KTKRTIGZSA-N 0 0 310.422 4.012 20 10 DICDRN Nc1ccc(CC(=O)Nc2ccc(OC3CCCCC3)cc2)cc1 ZINC000829773106 1046006037 /nfs/dbraw/zinc/00/60/37/1046006037.db2.gz ARQPWPIPGBCDSG-UHFFFAOYSA-N 0 0 324.424 4.162 20 10 DICDRN COc1cc(NCc2cc(C)c(C)cc2O)c(OC)cc1Cl ZINC000802644208 1046023107 /nfs/dbraw/zinc/02/31/07/1046023107.db2.gz URBZIOMQCJYQCY-UHFFFAOYSA-N 0 0 321.804 4.292 20 10 DICDRN CCc1c(N[C@H](C)c2ccccc2O)cnn1CCC(C)C ZINC000756051450 1046046033 /nfs/dbraw/zinc/04/60/33/1046046033.db2.gz WUCPMCHJTSGWFK-CQSZACIVSA-N 0 0 301.434 4.370 20 10 DICDRN Cc1ccc(C(=O)Nc2cccc(N3CCC(C)CC3)c2)cc1N ZINC000830190088 1046047798 /nfs/dbraw/zinc/04/77/98/1046047798.db2.gz SRSWHHNXEQEROU-UHFFFAOYSA-N 0 0 323.440 4.066 20 10 DICDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCS1 ZINC000756147753 1046054826 /nfs/dbraw/zinc/05/48/26/1046054826.db2.gz UEEHWLGCCWTWTE-SECBINFHSA-N 0 0 306.258 4.026 20 10 DICDRN C[C@@H]([NH2+]Cc1ccc(Cl)s1)c1cc(F)cc(F)c1[O-] ZINC000756468711 1046087348 /nfs/dbraw/zinc/08/73/48/1046087348.db2.gz FPOJBDQVZLQOTE-SSDOTTSWSA-N 0 0 303.761 4.236 20 10 DICDRN C[C@@H]([NH2+]CCCCOc1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000756402499 1046076416 /nfs/dbraw/zinc/07/64/16/1046076416.db2.gz SMPMUECMKFOOQI-CYBMUJFWSA-N 0 0 321.367 4.180 20 10 DICDRN Cc1ccc(OCCCC[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000756417135 1046078425 /nfs/dbraw/zinc/07/84/25/1046078425.db2.gz JXLFUGJVDODYKF-HNNXBMFYSA-N 0 0 317.404 4.350 20 10 DICDRN CC(C)Oc1ccccc1C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756441606 1046081561 /nfs/dbraw/zinc/08/15/61/1046081561.db2.gz MAHVAYGFLWUBON-LBPRGKRZSA-N 0 0 321.367 4.308 20 10 DICDRN C[C@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)c1cc(F)cc(F)c1[O-] ZINC000756433905 1046082990 /nfs/dbraw/zinc/08/29/90/1046082990.db2.gz QXQKAJQAZQWQBU-NRUUGDAUSA-N 0 0 307.340 4.238 20 10 DICDRN C[C@H]([NH2+]CC1CCCC1)c1cc(Br)cc(F)c1[O-] ZINC000756456710 1046083464 /nfs/dbraw/zinc/08/34/64/1046083464.db2.gz DZUPHJLIPAAILK-VIFPVBQESA-N 0 0 316.214 4.135 20 10 DICDRN CSc1ccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756456078 1046085301 /nfs/dbraw/zinc/08/53/01/1046085301.db2.gz WIJWGPVMQMVSDL-SNVBAGLBSA-N 0 0 309.381 4.243 20 10 DICDRN C[C@H]([NH2+]Cc1ccc(Cl)s1)c1cc(F)cc(F)c1[O-] ZINC000756468713 1046087177 /nfs/dbraw/zinc/08/71/77/1046087177.db2.gz FPOJBDQVZLQOTE-ZETCQYMHSA-N 0 0 303.761 4.236 20 10 DICDRN C[C@@H]([NH2+][C@H]1CSCc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000756487162 1046088372 /nfs/dbraw/zinc/08/83/72/1046088372.db2.gz IJDVMYGMYSKRJR-HWPZZCPQSA-N 0 0 321.392 4.309 20 10 DICDRN COc1ccc(CC[C@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000756503376 1046090799 /nfs/dbraw/zinc/09/07/99/1046090799.db2.gz KQGKVMPZEZYSSY-UONOGXRCSA-N 0 0 317.404 4.212 20 10 DICDRN COc1ccc(CC[C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000756503381 1046092063 /nfs/dbraw/zinc/09/20/63/1046092063.db2.gz KQGKVMPZEZYSSY-ZIAGYGMSSA-N 0 0 317.404 4.212 20 10 DICDRN C[C@@H]([NH2+]Cc1cccc2cccnc21)c1cc(F)cc(F)c1[O-] ZINC000756494938 1046092094 /nfs/dbraw/zinc/09/20/94/1046092094.db2.gz IPLXIUGNVASXLY-LLVKDONJSA-N 0 0 314.335 4.069 20 10 DICDRN C[C@@H]([NH2+]CC[C@H](C)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756513140 1046094547 /nfs/dbraw/zinc/09/45/47/1046094547.db2.gz CLJINSSDKSRTRY-UONOGXRCSA-N 0 0 314.385 4.145 20 10 DICDRN C[C@H]([NH2+][C@H]1CCCOc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000756515905 1046094650 /nfs/dbraw/zinc/09/46/50/1046094650.db2.gz GQKXYCNGBMLQLW-ZBEGNZNMSA-N 0 0 319.351 4.235 20 10 DICDRN C[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1)c1cc(F)cc(F)c1[O-] ZINC000756527460 1046095456 /nfs/dbraw/zinc/09/54/56/1046095456.db2.gz SKNPOXRCHVYTQB-MRVPVSSYSA-N 0 0 315.722 4.314 20 10 DICDRN CC/C(C)=C(\C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000779820090 1046097271 /nfs/dbraw/zinc/09/72/71/1046097271.db2.gz FBYUBDYLNVFYBD-FOCLMDBBSA-N 0 0 302.462 4.236 20 10 DICDRN CCc1nc([C@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cs1 ZINC000756571370 1046100251 /nfs/dbraw/zinc/10/02/51/1046100251.db2.gz ZCKQKYSWJDKNMK-IUCAKERBSA-N 0 0 312.385 4.101 20 10 DICDRN CC(C)[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])Nc1ccccc1 ZINC000756555987 1046101009 /nfs/dbraw/zinc/10/10/09/1046101009.db2.gz NPVMHMFWTWDVRI-KDOFPFPSSA-N 0 0 316.420 4.319 20 10 DICDRN COc1cc(SC)ccc1NCc1cc(C)c(C)cc1O ZINC000194498898 1046100900 /nfs/dbraw/zinc/10/09/00/1046100900.db2.gz SSQVKUHNJVFODB-UHFFFAOYSA-N 0 0 303.427 4.352 20 10 DICDRN COc1cccc([C@H]2CCCC[N@@H+]2Cc2cccc(F)c2[O-])c1 ZINC001138127447 1046102962 /nfs/dbraw/zinc/10/29/62/1046102962.db2.gz BUWCKDDBQOSBLN-GOSISDBHSA-N 0 0 315.388 4.267 20 10 DICDRN [O-]c1c(F)cccc1C[N@H+](Cc1ccccc1)Cc1ccccn1 ZINC001138122406 1046103017 /nfs/dbraw/zinc/10/30/17/1046103017.db2.gz CDXPAKQXMOOGNZ-UHFFFAOYSA-N 0 0 322.383 4.129 20 10 DICDRN COc1cccc([C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2[O-])c1 ZINC001138127448 1046103056 /nfs/dbraw/zinc/10/30/56/1046103056.db2.gz BUWCKDDBQOSBLN-SFHVURJKSA-N 0 0 315.388 4.267 20 10 DICDRN CCC[C@@H](C(=O)c1ccccc1)[N@H+](C)Cc1cccc(F)c1[O-] ZINC001138131172 1046104983 /nfs/dbraw/zinc/10/49/83/1046104983.db2.gz SEKXJEZNMWBCDI-KRWDZBQOSA-N 0 0 315.388 4.015 20 10 DICDRN CCCOc1ccc(N[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000194764815 1046105499 /nfs/dbraw/zinc/10/54/99/1046105499.db2.gz LDPKRSKFXPMNNP-CYBMUJFWSA-N 0 0 301.386 4.363 20 10 DICDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC001138128355 1046105602 /nfs/dbraw/zinc/10/56/02/1046105602.db2.gz FHYZRPSBHFKZDF-HNNXBMFYSA-N 0 0 317.379 4.125 20 10 DICDRN C[C@@H]([NH2+]CCOC1CCCCCC1)c1cc(F)cc(F)c1[O-] ZINC000756593486 1046106222 /nfs/dbraw/zinc/10/62/22/1046106222.db2.gz ZPMGHSJFABNPNM-GFCCVEGCSA-N 0 0 313.388 4.060 20 10 DICDRN C[C@H]([NH2+]CCOC1CCCCCC1)c1cc(F)cc(F)c1[O-] ZINC000756593519 1046106760 /nfs/dbraw/zinc/10/67/60/1046106760.db2.gz ZPMGHSJFABNPNM-LBPRGKRZSA-N 0 0 313.388 4.060 20 10 DICDRN CO[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])C(C)(C)C ZINC000756628016 1046112558 /nfs/dbraw/zinc/11/25/58/1046112558.db2.gz UPCLJYDDONZGMF-CABZTGNLSA-N 0 0 320.260 4.411 20 10 DICDRN CO[C@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])C(C)(C)C ZINC000756628017 1046112928 /nfs/dbraw/zinc/11/29/28/1046112928.db2.gz UPCLJYDDONZGMF-JOYOIKCWSA-N 0 0 320.260 4.411 20 10 DICDRN C[C@H]([NH2+][C@@H](C)[C@@H](C)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756638926 1046113682 /nfs/dbraw/zinc/11/36/82/1046113682.db2.gz XFDBAORLDFAAIS-RDBSUJKOSA-N 0 0 314.385 4.143 20 10 DICDRN CC[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])Oc1ccccc1F ZINC000756637902 1046114290 /nfs/dbraw/zinc/11/42/90/1046114290.db2.gz KYUMFOGLWYWACL-GXTWGEPZSA-N 0 0 321.367 4.179 20 10 DICDRN CCS[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000756638810 1046114682 /nfs/dbraw/zinc/11/46/82/1046114682.db2.gz RUOHBBXHEDAUOD-WCFLWFBJSA-N 0 0 315.429 4.385 20 10 DICDRN CC[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])Oc1ccccc1F ZINC000756637903 1046114879 /nfs/dbraw/zinc/11/48/79/1046114879.db2.gz KYUMFOGLWYWACL-JSGCOSHPSA-N 0 0 321.367 4.179 20 10 DICDRN C[C@@H]([NH2+]C1CC=CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756646744 1046115742 /nfs/dbraw/zinc/11/57/42/1046115742.db2.gz OPQRFWMBLJUAFI-MRVPVSSYSA-N 0 0 316.626 4.177 20 10 DICDRN C[C@H](C[C@@H]1CCOC1)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756646113 1046115962 /nfs/dbraw/zinc/11/59/62/1046115962.db2.gz KQHPFUZRABOTRG-MXWKQRLJSA-N 0 0 318.244 4.165 20 10 DICDRN COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756645481 1046116402 /nfs/dbraw/zinc/11/64/02/1046116402.db2.gz GGTFZLSUNATIDR-QFYYESIMSA-N 0 0 319.351 4.017 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1cc(Br)c(F)cc1[O-] ZINC000756687254 1046120338 /nfs/dbraw/zinc/12/03/38/1046120338.db2.gz YHVUDYGAXMBTFU-MWODSPESSA-N 0 0 316.214 4.133 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1cc(Br)c(F)cc1[O-] ZINC000756687262 1046120394 /nfs/dbraw/zinc/12/03/94/1046120394.db2.gz YHVUDYGAXMBTFU-VYUIOLGVSA-N 0 0 316.214 4.133 20 10 DICDRN C[C@H]([NH2+]CCCC1CC1)c1cc(Br)cc(F)c1[O-] ZINC000756733316 1046124114 /nfs/dbraw/zinc/12/41/14/1046124114.db2.gz OSPLTUSLTHUHQE-VIFPVBQESA-N 0 0 316.214 4.135 20 10 DICDRN C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])Oc1ccccc1Cl ZINC000756731682 1046124509 /nfs/dbraw/zinc/12/45/09/1046124509.db2.gz HXYAVEAAQKXLGE-RYUDHWBXSA-N 0 0 323.795 4.303 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@@H]1Oc2ccccc2[C@@H]1C ZINC000756748055 1046126635 /nfs/dbraw/zinc/12/66/35/1046126635.db2.gz VDSKZQHHDSBBJY-GNWWPAOBSA-N 0 0 315.388 4.135 20 10 DICDRN C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756762487 1046128029 /nfs/dbraw/zinc/12/80/29/1046128029.db2.gz UMIDMTSAQPSVGX-ZJUUUORDSA-N 0 0 320.260 4.147 20 10 DICDRN CCC(CC)[C@@H](CC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])OC ZINC000756757980 1046128481 /nfs/dbraw/zinc/12/84/81/1046128481.db2.gz DIWPNIMNRVIDAC-BDJLRTHQSA-N 0 0 315.404 4.162 20 10 DICDRN Cc1c(CN2CCCC[C@H]2C(F)(F)F)c2ccccc2n1C ZINC001138256678 1046130002 /nfs/dbraw/zinc/13/00/02/1046130002.db2.gz GODXNVDFNDGDMH-INIZCTEOSA-N 0 0 310.363 4.404 20 10 DICDRN C[C@H]([NH2+]Cc1cccc(F)n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756770351 1046130534 /nfs/dbraw/zinc/13/05/34/1046130534.db2.gz UCBJNFHMUDEHQR-QMMMGPOBSA-N 0 0 315.175 4.084 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1c(C)noc1C ZINC000756776735 1046131906 /nfs/dbraw/zinc/13/19/06/1046131906.db2.gz QMNNGEBGSVKNIU-RTHLEPHNSA-N 0 0 310.344 4.077 20 10 DICDRN CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756783343 1046133355 /nfs/dbraw/zinc/13/33/55/1046133355.db2.gz XYZCKWCRLDOBQE-PZROIBLQSA-N 0 0 321.367 4.097 20 10 DICDRN COc1ccc(N[C@H]2C[C@@H](C)c3c2c(O)ccc3F)c(OC)c1 ZINC000756790190 1046135061 /nfs/dbraw/zinc/13/50/61/1046135061.db2.gz MULSAPLFRYZURK-YGRLFVJLSA-N 0 0 317.360 4.209 20 10 DICDRN C[C@H](Nc1ccc2c(c1)OCCCO2)c1cc(F)cc(F)c1O ZINC000756794912 1046136707 /nfs/dbraw/zinc/13/67/07/1046136707.db2.gz CMMWVHPWQVFZGO-JTQLQIEISA-N 0 0 321.323 4.005 20 10 DICDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(SC)cc2)c1 ZINC000756796751 1046136766 /nfs/dbraw/zinc/13/67/66/1046136766.db2.gz MSEPFCSNGHSIHH-LLVKDONJSA-N 0 0 317.410 4.074 20 10 DICDRN COCc1cccc(N[C@@H]2C[C@H](C)c3c2c(O)ccc3F)c1 ZINC000756802696 1046136984 /nfs/dbraw/zinc/13/69/84/1046136984.db2.gz DTRVENLCBNOPDH-XHDPSFHLSA-N 0 0 301.361 4.338 20 10 DICDRN C[C@@H](Nc1ccc2c(c1)OCCCO2)c1cc(Cl)ccc1O ZINC000756798249 1046137117 /nfs/dbraw/zinc/13/71/17/1046137117.db2.gz WOHGUCSDKLVOHC-LLVKDONJSA-N 0 0 319.788 4.380 20 10 DICDRN Cc1ccc([C@@H](C)Nc2ccc3c(c2)OCCCO3)c(O)c1C ZINC000756794870 1046137762 /nfs/dbraw/zinc/13/77/62/1046137762.db2.gz BBOFVIWVEYDMMH-CQSZACIVSA-N 0 0 313.397 4.343 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1cc(Br)c(F)cc1[O-] ZINC000756817118 1046138685 /nfs/dbraw/zinc/13/86/85/1046138685.db2.gz HOCLEOFVICNTQS-BDAKNGLRSA-N 0 0 316.214 4.133 20 10 DICDRN CC(=O)Nc1c(C)ccc(N[C@H](C)c2ccc(C)cc2O)c1C ZINC000756815444 1046138903 /nfs/dbraw/zinc/13/89/03/1046138903.db2.gz QALXYWIIPUSEIK-CQSZACIVSA-N 0 0 312.413 4.449 20 10 DICDRN C[C@@H]([NH2+]C1(c2ccccc2)CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756820480 1046140792 /nfs/dbraw/zinc/14/07/92/1046140792.db2.gz XBZQWXMONITFAX-CYBMUJFWSA-N 0 0 312.369 4.030 20 10 DICDRN C[C@H]([NH2+]C1(c2ccccc2F)CC1)c1cc(F)cc(F)c1[O-] ZINC000756831926 1046140931 /nfs/dbraw/zinc/14/09/31/1046140931.db2.gz CMNXKGFBYWZRLT-JTQLQIEISA-N 0 0 307.315 4.149 20 10 DICDRN CSc1ccc(N[C@H]2C[C@@H](C)c3c2c(O)ccc3F)nc1 ZINC000756844779 1046141577 /nfs/dbraw/zinc/14/15/77/1046141577.db2.gz MEVVHNSLEFHDBG-SKDRFNHKSA-N 0 0 304.390 4.309 20 10 DICDRN C[C@@H](Nc1ccc(OCC(F)F)cc1)c1ccc(F)cc1O ZINC000756837275 1046142837 /nfs/dbraw/zinc/14/28/37/1046142837.db2.gz GIVOGAQMQWIPID-SNVBAGLBSA-N 0 0 311.303 4.348 20 10 DICDRN CC(C)CCn1ccc(N[C@H](C)c2cc(Cl)ccc2O)n1 ZINC000756851232 1046144660 /nfs/dbraw/zinc/14/46/60/1046144660.db2.gz QJUIOUJMRLJJTJ-GFCCVEGCSA-N 0 0 307.825 4.461 20 10 DICDRN CC(=O)Nc1ccc(N[C@@H](C)c2cc(F)cc(F)c2O)cc1C ZINC000756866281 1046145856 /nfs/dbraw/zinc/14/58/56/1046145856.db2.gz ZDZMSZBNDQZFOB-JTQLQIEISA-N 0 0 320.339 4.110 20 10 DICDRN Cc1c(N[C@@H](C)c2cc(Cl)ccc2O)cnn1CC(C)C ZINC000756874018 1046147612 /nfs/dbraw/zinc/14/76/12/1046147612.db2.gz MPANRNASGZJJPC-NSHDSACASA-N 0 0 307.825 4.380 20 10 DICDRN Cc1c(N[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)cnn1CC(C)C ZINC000756874567 1046147746 /nfs/dbraw/zinc/14/77/46/1046147746.db2.gz SAPSZKSEAVYFAF-BXUZGUMPSA-N 0 0 317.408 4.353 20 10 DICDRN CCc1csc(NCc2ccc(N3CCCCC3)cc2)n1 ZINC000756961073 1046155768 /nfs/dbraw/zinc/15/57/68/1046155768.db2.gz IEKKQQOINRXLBF-UHFFFAOYSA-N 0 0 301.459 4.308 20 10 DICDRN CC/C(C)=C(\C)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000779979659 1046185624 /nfs/dbraw/zinc/18/56/24/1046185624.db2.gz FJIKAOFFBYPQIR-BUHFOSPRSA-N 0 0 320.396 4.081 20 10 DICDRN CCn1ncc2ccc(N[C@@H](C)c3cc(F)cc(F)c3O)cc21 ZINC000757583860 1046188691 /nfs/dbraw/zinc/18/86/91/1046188691.db2.gz VDZUKFUHDWNSCZ-JTQLQIEISA-N 0 0 317.339 4.213 20 10 DICDRN COc1ccc(O)c([C@H](C)Nc2ccc3c(c2)CC(C)(C)O3)c1 ZINC000757614649 1046192889 /nfs/dbraw/zinc/19/28/89/1046192889.db2.gz RGONQFQPYCIHJT-LBPRGKRZSA-N 0 0 313.397 4.287 20 10 DICDRN C[C@@H](Nc1ccc2c(c1)ncn2C)c1cc2c(cc1O)CCCC2 ZINC000757609917 1046194212 /nfs/dbraw/zinc/19/42/12/1046194212.db2.gz AXPDOCZTMLUFCL-CYBMUJFWSA-N 0 0 321.424 4.331 20 10 DICDRN C[C@@H](Nc1ccc2c(cnn2C(F)F)c1)c1ccc(F)cc1O ZINC000757620539 1046194894 /nfs/dbraw/zinc/19/48/94/1046194894.db2.gz GURCPFAKSVQDGU-SECBINFHSA-N 0 0 321.302 4.449 20 10 DICDRN Cc1nc2c(s1)[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])CCC2 ZINC000757635970 1046195345 /nfs/dbraw/zinc/19/53/45/1046195345.db2.gz CQJTUDMNDJXXDO-AMIZOPFISA-N 0 0 324.396 4.164 20 10 DICDRN COc1ccc(O)c([C@H](C)N[C@H](CC(C)(C)C)C(F)(F)F)c1 ZINC000757632341 1046195514 /nfs/dbraw/zinc/19/55/14/1046195514.db2.gz YZDALYLEPABGDW-IINYFYTJSA-N 0 0 319.367 4.419 20 10 DICDRN C[C@@H]1C[C@H](Nc2cccc(CCCO)c2)c2c1c(F)ccc2O ZINC000757640953 1046197387 /nfs/dbraw/zinc/19/73/87/1046197387.db2.gz VYLLBRHQGLZKCF-WBMJQRKESA-N 0 0 315.388 4.117 20 10 DICDRN Cc1cc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])ccc1Cl ZINC000757700890 1046202572 /nfs/dbraw/zinc/20/25/72/1046202572.db2.gz GEZIMACVUIFGJW-JTQLQIEISA-N 0 0 311.759 4.483 20 10 DICDRN Cc1cc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])ccc1Cl ZINC000757700892 1046203630 /nfs/dbraw/zinc/20/36/30/1046203630.db2.gz GEZIMACVUIFGJW-SNVBAGLBSA-N 0 0 311.759 4.483 20 10 DICDRN Cc1cc(Cl)cc(/C=C2/SC(=S)N(C3CC3)C2=O)c1 ZINC000841495976 1046205111 /nfs/dbraw/zinc/20/51/11/1046205111.db2.gz MJFXVVZACRHGBM-KPKJPENVSA-N 0 0 309.843 4.012 20 10 DICDRN COc1c(Cl)cccc1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000903247039 1046207902 /nfs/dbraw/zinc/20/79/02/1046207902.db2.gz STTHANWIXCWPCA-SNVBAGLBSA-N 0 0 309.768 4.044 20 10 DICDRN C[C@H](N[C@@H]1c2ccccc2OC[C@H]1F)c1cc(Cl)ccc1O ZINC000903272267 1046216514 /nfs/dbraw/zinc/21/65/14/1046216514.db2.gz NUIJGOZFGNLQKY-NCAQKEMTSA-N 0 0 321.779 4.168 20 10 DICDRN Cc1cc(C)c([C@@H](C)NCc2nc(C(C)(C)C)co2)c(O)c1 ZINC000903313119 1046234173 /nfs/dbraw/zinc/23/41/73/1046234173.db2.gz IMDAMZKAHWWIPZ-CYBMUJFWSA-N 0 0 302.418 4.145 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])c1cncs1 ZINC000903311886 1046235601 /nfs/dbraw/zinc/23/56/01/1046235601.db2.gz SBXPHWLEHWTVRA-DTWKUNHWSA-N 0 0 316.348 4.279 20 10 DICDRN CC[C@H](NCc1nc(C(C)(C)C)co1)c1ccc(F)cc1O ZINC000903313700 1046236581 /nfs/dbraw/zinc/23/65/81/1046236581.db2.gz XBQAQPCAJGUJET-ZDUSSCGKSA-N 0 0 306.381 4.058 20 10 DICDRN COc1ccc(CNc2ccc3c(Cl)cccc3n2)c(O)c1 ZINC000795284999 1046242142 /nfs/dbraw/zinc/24/21/42/1046242142.db2.gz PPUUBAHQZOLDAL-UHFFFAOYSA-N 0 0 314.772 4.215 20 10 DICDRN COc1ccc(CNc2cc3ccccc3c(Cl)n2)c(O)c1 ZINC000795283571 1046242400 /nfs/dbraw/zinc/24/24/00/1046242400.db2.gz CADAWYZVPPNLJJ-UHFFFAOYSA-N 0 0 314.772 4.215 20 10 DICDRN COc1ccc([C@@H](C)[NH2+]Cc2cccc(Cl)c2[O-])cc1C ZINC000897417303 1046253663 /nfs/dbraw/zinc/25/36/63/1046253663.db2.gz JDNWAVOPBBQAQH-GFCCVEGCSA-N 0 0 305.805 4.213 20 10 DICDRN CCN1C(=O)/C(=C/c2cc3ccccc3s2)SC1=S ZINC000758417330 1046269336 /nfs/dbraw/zinc/26/93/36/1046269336.db2.gz VECWFPBSPBGFSN-WQLSENKSSA-N 0 0 305.449 4.122 20 10 DICDRN CCc1cnc(NCc2ccc(N3CCCCC3)cc2)s1 ZINC000758458261 1046272450 /nfs/dbraw/zinc/27/24/50/1046272450.db2.gz RWDAWUBPPZRLCZ-UHFFFAOYSA-N 0 0 301.459 4.308 20 10 DICDRN Cc1ccc(N(C)C(=O)/C=C\c2ccc(Cl)nc2)c(C)c1 ZINC000758565079 1046280139 /nfs/dbraw/zinc/28/01/39/1046280139.db2.gz AIRNGJUHJFYUNZ-TWGQIWQCSA-N 0 0 300.789 4.028 20 10 DICDRN CO[C@H]1CC=C(n2c(=N)ccc(/N=N/c3ccccc3)c2N)CC1 ZINC001212873598 1046281089 /nfs/dbraw/zinc/28/10/89/1046281089.db2.gz PPOHWYSYLZYHOQ-CWLREBMBSA-N 0 0 323.400 4.005 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000758624815 1046281731 /nfs/dbraw/zinc/28/17/31/1046281731.db2.gz PSOFNMPTQLRYHV-OAHLLOKOSA-N 0 0 323.223 4.335 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC2(CCC2)C1 ZINC000758671121 1046284245 /nfs/dbraw/zinc/28/42/45/1046284245.db2.gz UEWYOLUAUKTUGM-UHFFFAOYSA-N 0 0 314.454 4.172 20 10 DICDRN c1cnn(-c2cccc(COc3ccc(N4CCCC4)cc3)c2)c1 ZINC000758763818 1046289782 /nfs/dbraw/zinc/28/97/82/1046289782.db2.gz SGCPWHRWWYUBFG-UHFFFAOYSA-N 0 0 319.408 4.052 20 10 DICDRN O=C(/C=C\c1ccc(Cl)nc1)N(CC1CC1)c1ccccc1 ZINC000759307296 1046343444 /nfs/dbraw/zinc/34/34/44/1046343444.db2.gz ADNWHPFURBQBJF-LUAWRHEFSA-N 0 0 312.800 4.191 20 10 DICDRN CCCOc1ccccc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001138998194 1046351516 /nfs/dbraw/zinc/35/15/16/1046351516.db2.gz HMAWRBZRSILUIV-UHFFFAOYSA-N 0 0 312.457 4.173 20 10 DICDRN CCC(CC)CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000759473491 1046359494 /nfs/dbraw/zinc/35/94/94/1046359494.db2.gz MIDMMFZQQCUKDI-UHFFFAOYSA-N 0 0 322.412 4.161 20 10 DICDRN O=C(NCc1ccccc1O)Nc1ccc(-c2ccccc2)cc1 ZINC000748438294 1046373619 /nfs/dbraw/zinc/37/36/19/1046373619.db2.gz HGAGTCBEACAEAS-UHFFFAOYSA-N 0 0 318.376 4.381 20 10 DICDRN CC(C)(C)c1cnc(SCC(=O)Nc2cccc(F)c2)s1 ZINC000759713127 1046373764 /nfs/dbraw/zinc/37/37/64/1046373764.db2.gz FYWJDGZRUWJLMX-UHFFFAOYSA-N 0 0 324.446 4.311 20 10 DICDRN Cc1cn2nc(Sc3ncc(C(C)(C)C)s3)sc2n1 ZINC000759713389 1046374205 /nfs/dbraw/zinc/37/42/05/1046374205.db2.gz HCFPMDUQHYDRJS-UHFFFAOYSA-N 0 0 310.473 4.004 20 10 DICDRN CCCCCNC(=O)[C@H](C)Sc1ncc(C(C)(C)C)s1 ZINC000759712913 1046374717 /nfs/dbraw/zinc/37/47/17/1046374717.db2.gz CJRDTFVBEGHYGS-NSHDSACASA-N 0 0 314.520 4.228 20 10 DICDRN COC(=O)[C@H](Sc1ncc(C(C)(C)C)s1)c1ccccc1 ZINC000759713667 1046374955 /nfs/dbraw/zinc/37/49/55/1046374955.db2.gz KLBAKQJMJAPPKO-CYBMUJFWSA-N 0 0 321.467 4.447 20 10 DICDRN COC(=O)c1coc(CSc2ncc(C(C)(C)C)s2)c1 ZINC000759720197 1046376524 /nfs/dbraw/zinc/37/65/24/1046376524.db2.gz YTORHKAUNFFOAT-UHFFFAOYSA-N 0 0 311.428 4.113 20 10 DICDRN Cc1nc2[nH]ccc2c(Sc2ncc(C(C)(C)C)s2)n1 ZINC000759718639 1046376779 /nfs/dbraw/zinc/37/67/79/1046376779.db2.gz WKAFSEURUZIEIA-UHFFFAOYSA-N 0 0 304.444 4.172 20 10 DICDRN O=C(NCc1ccccc1O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000748461870 1046377543 /nfs/dbraw/zinc/37/75/43/1046377543.db2.gz OHDNEUJXBPIOIN-IBGZPJMESA-N 0 0 324.424 4.123 20 10 DICDRN C[C@@H](NC(=O)NCc1ccccc1O)c1cccc2ccccc21 ZINC000748462710 1046378522 /nfs/dbraw/zinc/37/85/22/1046378522.db2.gz HFNOCQKJZVPENR-CQSZACIVSA-N 0 0 320.392 4.106 20 10 DICDRN CC1(C(=O)NCc2ccc(N3CCCCC3)cc2)CCCCC1 ZINC000780503870 1046390250 /nfs/dbraw/zinc/39/02/50/1046390250.db2.gz GTUKTARQUZFDNV-UHFFFAOYSA-N 0 0 314.473 4.264 20 10 DICDRN CCC(CC)N(CC(C)C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000748614944 1046390353 /nfs/dbraw/zinc/39/03/53/1046390353.db2.gz LXILUVCAYNAOGH-UHFFFAOYSA-N 0 0 319.493 4.109 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCC[C@@H]1C ZINC001139123569 1046393458 /nfs/dbraw/zinc/39/34/58/1046393458.db2.gz IWHRBBBINWYYKY-DOTOQJQBSA-N 0 0 303.446 4.347 20 10 DICDRN CCOc1ccc(N(C)Cc2ncccc2C(F)(F)F)cc1 ZINC000780776007 1046405458 /nfs/dbraw/zinc/40/54/58/1046405458.db2.gz ZYZFEXWMNLINEJ-UHFFFAOYSA-N 0 0 310.319 4.136 20 10 DICDRN C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000780793581 1046407307 /nfs/dbraw/zinc/40/73/07/1046407307.db2.gz RTGOCNUFFWUVEP-MWLCHTKSSA-N 0 0 307.743 4.208 20 10 DICDRN CC/C(C)=C(/C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000780931654 1046411895 /nfs/dbraw/zinc/41/18/95/1046411895.db2.gz CMRGILKDXYEATD-MSUUIHNZSA-N 0 0 314.473 4.286 20 10 DICDRN CN(CCSc1cccc(Cl)c1)c1ccc2c(c1)OCO2 ZINC001168215549 1046424175 /nfs/dbraw/zinc/42/41/75/1046424175.db2.gz UMPKMTASOSMKSE-UHFFFAOYSA-N 0 0 321.829 4.297 20 10 DICDRN COc1ccc(N(C)Cc2ccccc2SC)cc1OC ZINC000781326707 1046439150 /nfs/dbraw/zinc/43/91/50/1046439150.db2.gz KDAFSCWSJUHVJZ-UHFFFAOYSA-N 0 0 303.427 4.062 20 10 DICDRN COc1ccc2c(c1)CCCCN2Cc1ccc(C)nc1Cl ZINC001168244187 1046444908 /nfs/dbraw/zinc/44/49/08/1046444908.db2.gz KKWLETYSKWDFCI-UHFFFAOYSA-N 0 0 316.832 4.395 20 10 DICDRN CN(Cc1ccccc1O)c1ccc(C(F)(F)F)c(Cl)n1 ZINC000760263232 1046446505 /nfs/dbraw/zinc/44/65/05/1046446505.db2.gz SMZHMVFVFZSEBN-UHFFFAOYSA-N 0 0 316.710 4.096 20 10 DICDRN CCc1ccc(NC(=O)NCc2cc3ccccc3cc2O)cc1 ZINC001202946132 1046467908 /nfs/dbraw/zinc/46/79/08/1046467908.db2.gz GMXDTALNGQNFBK-UHFFFAOYSA-N 0 0 320.392 4.430 20 10 DICDRN Cc1cc(Br)c([O-])c(C[N@@H+](C(C)C)C2CCC2)c1 ZINC000781906968 1046485810 /nfs/dbraw/zinc/48/58/10/1046485810.db2.gz ATMQFQMBJXEPAB-UHFFFAOYSA-N 0 0 312.251 4.226 20 10 DICDRN CN(C[C@@H]1CCCOC1)c1ccc(OCc2ccccc2)cc1 ZINC000781961855 1046489238 /nfs/dbraw/zinc/48/92/38/1046489238.db2.gz YIENLXWWZPPPKW-SFHVURJKSA-N 0 0 311.425 4.128 20 10 DICDRN Cc1ncc(CN(C)c2ccc(OCc3ccccc3)cc2)cn1 ZINC000781961556 1046489530 /nfs/dbraw/zinc/48/95/30/1046489530.db2.gz VDLWTAFGTUBTCC-UHFFFAOYSA-N 0 0 319.408 4.000 20 10 DICDRN Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(N(C)C)c(C)c2)cn1 ZINC001139673366 1046496407 /nfs/dbraw/zinc/49/64/07/1046496407.db2.gz FPZLKHCKZFZYEP-FQEVSTJZSA-N 0 0 309.457 4.102 20 10 DICDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC001139685237 1046499368 /nfs/dbraw/zinc/49/93/68/1046499368.db2.gz BTWOPZQPBYWNPH-OAHLLOKOSA-N 0 0 317.379 4.440 20 10 DICDRN Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139681412 1046499867 /nfs/dbraw/zinc/49/98/67/1046499867.db2.gz QHUSKRDWKVLPOP-QGZVFWFLSA-N 0 0 303.352 4.316 20 10 DICDRN O=C(OCc1cc(Cl)nc2ccccc12)C1=CC(=O)CS1 ZINC000782276304 1046511917 /nfs/dbraw/zinc/51/19/17/1046511917.db2.gz UMZUNTRZOVIPSA-UHFFFAOYSA-N 0 0 319.769 4.012 20 10 DICDRN C[C@H](NC(=O)CC1CC(c2ccccc2)C1)c1ccccc1O ZINC000827964402 1046536160 /nfs/dbraw/zinc/53/61/60/1046536160.db2.gz NBGOCYMEEGYNQW-UQPPLGOBSA-N 0 0 309.409 4.153 20 10 DICDRN C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1cc(Br)c(F)cc1[O-] ZINC000783310142 1046579732 /nfs/dbraw/zinc/57/97/32/1046579732.db2.gz NNXHSDVIFWGFHO-KXUCPTDWSA-N 0 0 316.214 4.133 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1cc(Br)cc(F)c1[O-] ZINC000783311739 1046580584 /nfs/dbraw/zinc/58/05/84/1046580584.db2.gz ZRGHIXUKFDNEEL-FXPVBKGRSA-N 0 0 316.214 4.133 20 10 DICDRN C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1cc(Br)cc(F)c1[O-] ZINC000783311741 1046581034 /nfs/dbraw/zinc/58/10/34/1046581034.db2.gz ZRGHIXUKFDNEEL-WCABBAIRSA-N 0 0 316.214 4.133 20 10 DICDRN CCC(CC)[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2[O-])CCO1 ZINC000248496577 1046619227 /nfs/dbraw/zinc/61/92/27/1046619227.db2.gz LMIJKARJRUQTIU-DWQUBVKVSA-N 0 0 309.425 4.166 20 10 DICDRN Cc1ccncc1/C=C/C(=O)N(Cc1ccco1)c1ccccc1 ZINC000783834009 1046635975 /nfs/dbraw/zinc/63/59/75/1046635975.db2.gz XLARSNQIJXEIJL-MDZDMXLPSA-N 0 0 318.376 4.230 20 10 DICDRN CC(C)Cn1ncc(N[C@H]2CCc3cccc(O)c32)c1C1CC1 ZINC000834802843 1046672707 /nfs/dbraw/zinc/67/27/07/1046672707.db2.gz FOCUNSULANCVBQ-HNNXBMFYSA-N 0 0 311.429 4.222 20 10 DICDRN C[C@@H]([NH2+]C[C@H]1CSc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000834819380 1046675788 /nfs/dbraw/zinc/67/57/88/1046675788.db2.gz VFTGNAPGMUXDDL-MNOVXSKESA-N 0 0 321.392 4.211 20 10 DICDRN CC[C@H]([NH2+][C@H](C)CC(C)(C)O)c1ccc(Cl)c(Cl)c1[O-] ZINC000834877103 1046693798 /nfs/dbraw/zinc/69/37/98/1046693798.db2.gz ZGMQNUOEDOZMFM-SKDRFNHKSA-N 0 0 320.260 4.289 20 10 DICDRN C[C@@H]([NH2+]C[C@@H]1CCCC1(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000834886595 1046699890 /nfs/dbraw/zinc/69/98/90/1046699890.db2.gz UGZQLSNFHIPAKT-ZJUUUORDSA-N 0 0 323.305 4.497 20 10 DICDRN CC[C@H]([NH2+]C[C@@H]1CCO[C@H](C(C)C)C1)c1ccc(F)cc1[O-] ZINC000834886536 1046700973 /nfs/dbraw/zinc/70/09/73/1046700973.db2.gz TWWJNYGZFPOVOV-SKDZVZGDSA-N 0 0 309.425 4.023 20 10 DICDRN CC[C@H]([NH2+]CC1(CC)COC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000834899121 1046708491 /nfs/dbraw/zinc/70/84/91/1046708491.db2.gz IFQRTOWYXQHWBT-LBPRGKRZSA-N 0 0 318.244 4.166 20 10 DICDRN CCCc1ncc(C[NH2+][C@@H](CC)c2cccc(Cl)c2[O-])o1 ZINC000834900217 1046711167 /nfs/dbraw/zinc/71/11/67/1046711167.db2.gz NTEYTBOOWXWZQV-AWEZNQCLSA-N 0 0 308.809 4.227 20 10 DICDRN C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)c1ccc(Cl)c(Cl)c1[O-] ZINC000834904387 1046713859 /nfs/dbraw/zinc/71/38/59/1046713859.db2.gz PJVNNEPXEMNKGJ-SECBINFHSA-N 0 0 320.260 4.147 20 10 DICDRN CC[C@@H]([NH2+]Cc1cnc(C)cc1C)c1cccc(Cl)c1[O-] ZINC000834902117 1046714831 /nfs/dbraw/zinc/71/48/31/1046714831.db2.gz FCMPLMCXLXFZJS-MRXNPFEDSA-N 0 0 304.821 4.298 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)c1ccc(F)cc1[O-] ZINC000834908793 1046716846 /nfs/dbraw/zinc/71/68/46/1046716846.db2.gz HWDBKKKSYXEJES-AXAPSJFSSA-N 0 0 321.417 4.164 20 10 DICDRN CC[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1cccc(Cl)c1[O-] ZINC000834912005 1046719135 /nfs/dbraw/zinc/71/91/35/1046719135.db2.gz VGLOVCGJFKKLLB-WFASDCNBSA-N 0 0 311.853 4.292 20 10 DICDRN CC[C@H]([NH2+]Cc1cccc2cccnc21)c1ccc(F)cc1[O-] ZINC000796722148 1046723578 /nfs/dbraw/zinc/72/35/78/1046723578.db2.gz DPDLRLYGVZIYJK-KRWDZBQOSA-N 0 0 310.372 4.320 20 10 DICDRN Oc1cccc2c1C[N@H+](Cc1c[nH]c3cccc(Cl)c13)CC2 ZINC001140446356 1046725873 /nfs/dbraw/zinc/72/58/73/1046725873.db2.gz HUMFKCZLWTXXNR-UHFFFAOYSA-N 0 0 312.800 4.085 20 10 DICDRN CC[C@H]([NH2+]C[C@H](C)Oc1ccccc1F)c1ccc(F)cc1[O-] ZINC000796778475 1046730385 /nfs/dbraw/zinc/73/03/85/1046730385.db2.gz XWTMOWVAHDCRRN-LRDDRELGSA-N 0 0 321.367 4.179 20 10 DICDRN CC[C@H]([NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C)c1ccc(F)cc1[O-] ZINC000796772597 1046730405 /nfs/dbraw/zinc/73/04/05/1046730405.db2.gz UKBOWVXRPAKBMR-QANKJYHBSA-N 0 0 323.452 4.413 20 10 DICDRN CC[C@H]([NH2+]Cc1cc(C)ccc1OC)c1ccc(F)cc1[O-] ZINC000796796715 1046733968 /nfs/dbraw/zinc/73/39/68/1046733968.db2.gz FUCFQGNWGFIMNP-INIZCTEOSA-N 0 0 303.377 4.089 20 10 DICDRN CC[C@H]([NH2+]C[C@@H](C)Oc1ccccc1)c1ccc(F)cc1[O-] ZINC000796816169 1046737983 /nfs/dbraw/zinc/73/79/83/1046737983.db2.gz JPZTTYMEINRMBN-DYVFJYSZSA-N 0 0 303.377 4.040 20 10 DICDRN CC(C)c1nc(CN(C)Cc2ccc(Cl)cc2O)cs1 ZINC001140465045 1046739812 /nfs/dbraw/zinc/73/98/12/1046739812.db2.gz FXRJCDOGWYPVBP-UHFFFAOYSA-N 0 0 310.850 4.258 20 10 DICDRN CCOCCC1(C[NH2+][C@@H](CC)c2ccc(F)cc2[O-])CCC1 ZINC000796832448 1046742215 /nfs/dbraw/zinc/74/22/15/1046742215.db2.gz QBMYWVAFXNTKAD-INIZCTEOSA-N 0 0 309.425 4.169 20 10 DICDRN CC[C@H]([NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1ccc(F)cc1[O-] ZINC000796834916 1046743618 /nfs/dbraw/zinc/74/36/18/1046743618.db2.gz IMUJTLHXZVKFOO-DMUMMCEESA-N 0 0 311.400 4.158 20 10 DICDRN CC(=O)Nc1cc(NC/C=C\c2ccc(N(C)C)cc2)ccc1C ZINC000835030196 1046744548 /nfs/dbraw/zinc/74/45/48/1046744548.db2.gz ANPNIZYMWBLVNP-WAYWQWQTSA-N 0 0 323.440 4.145 20 10 DICDRN CC(=O)Nc1ccc(NC/C=C/c2ccc(N(C)C)cc2)cc1C ZINC000835031338 1046744774 /nfs/dbraw/zinc/74/47/74/1046744774.db2.gz MKZIXMAOTLVEGC-AATRIKPKSA-N 0 0 323.440 4.145 20 10 DICDRN CC[C@H](Nc1cc(OC)c(OC)cc1C)c1ccc(F)cc1O ZINC000796857581 1046746219 /nfs/dbraw/zinc/74/62/19/1046746219.db2.gz QQMKXVWRZIHAEO-AWEZNQCLSA-N 0 0 319.376 4.420 20 10 DICDRN CC[C@@H](Nc1ccc(OCCOC)cc1)c1ccc(F)cc1O ZINC000796868176 1046749021 /nfs/dbraw/zinc/74/90/21/1046749021.db2.gz GQLOPCZPLSXVEF-QGZVFWFLSA-N 0 0 319.376 4.120 20 10 DICDRN C[C@@H](O)c1cc(NC/C=C\c2ccc(N(C)C)cc2)ccc1F ZINC000835054255 1046750535 /nfs/dbraw/zinc/75/05/35/1046750535.db2.gz TYJDZNPVNPLXCR-ZRUQZJFASA-N 0 0 314.404 4.070 20 10 DICDRN C[C@H](O)c1cc(NC/C=C\c2ccc(N(C)C)cc2)ccc1F ZINC000835054253 1046750910 /nfs/dbraw/zinc/75/09/10/1046750910.db2.gz TYJDZNPVNPLXCR-WSNITJDQSA-N 0 0 314.404 4.070 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CCO[C@@H](CC(C)C)C1)c1ccc(F)cc1[O-] ZINC000796895996 1046752697 /nfs/dbraw/zinc/75/26/97/1046752697.db2.gz HAGNNHHBYCCCBA-VYDXJSESSA-N 0 0 309.425 4.166 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CCCO[C@@H]1CC(C)C)c1ccc(F)cc1[O-] ZINC000796953115 1046762523 /nfs/dbraw/zinc/76/25/23/1046762523.db2.gz MCQUBBWYRJDRNV-LZLYRXPVSA-N 0 0 309.425 4.166 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CCCO[C@H]1CC(C)C)c1ccc(F)cc1[O-] ZINC000796953112 1046763745 /nfs/dbraw/zinc/76/37/45/1046763745.db2.gz MCQUBBWYRJDRNV-JZXOWHBKSA-N 0 0 309.425 4.166 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)c1c(F)cccc1OC)c1ccc(F)cc1[O-] ZINC000796782503 1046782049 /nfs/dbraw/zinc/78/20/49/1046782049.db2.gz AYISTBUGHMUFMX-IAQYHMDHSA-N 0 0 321.367 4.481 20 10 DICDRN CSCc1ccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000797101660 1046790873 /nfs/dbraw/zinc/79/08/73/1046790873.db2.gz WKSIOGSMZQXNGS-LLVKDONJSA-N 0 0 323.408 4.384 20 10 DICDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001140584939 1046796477 /nfs/dbraw/zinc/79/64/77/1046796477.db2.gz KYJWEYNIVDYYKF-HNNXBMFYSA-N 0 0 321.342 4.017 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CC1CCCCC1 ZINC000302808633 1046808404 /nfs/dbraw/zinc/80/84/04/1046808404.db2.gz ITKWDUKEUMFNKR-UHFFFAOYSA-N 0 0 302.462 4.072 20 10 DICDRN C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2F)C1)c1ccc(F)cc1[O-] ZINC000797997268 1046917360 /nfs/dbraw/zinc/91/73/60/1046917360.db2.gz SPHZDEDTTQMCDY-YRGRVCCFSA-N 0 0 303.352 4.267 20 10 DICDRN CCCn1cc(N[C@H](C)c2cccc(C(F)(F)F)c2O)cn1 ZINC000798183778 1046935111 /nfs/dbraw/zinc/93/51/11/1046935111.db2.gz SRALSGDLCKJULY-SNVBAGLBSA-N 0 0 313.323 4.191 20 10 DICDRN CN(C)c1ccc(CN2Cc3ccc(F)cc3C2)c(Cl)c1 ZINC001140926075 1046951725 /nfs/dbraw/zinc/95/17/25/1046951725.db2.gz YPOWXTNRNIHVOC-UHFFFAOYSA-N 0 0 304.796 4.061 20 10 DICDRN CN(C)c1ccc(C[NH+]2CCC3(CC(F)C3)CC2)c(Cl)c1 ZINC001140921364 1046952090 /nfs/dbraw/zinc/95/20/90/1046952090.db2.gz BBEAZCHVXKNAQG-UHFFFAOYSA-N 0 0 310.844 4.120 20 10 DICDRN COc1cccc([C@H]2CCCC[N@@H+]2Cc2ccc(C)cc2O)c1 ZINC001140950167 1046958670 /nfs/dbraw/zinc/95/86/70/1046958670.db2.gz SXHIRBBRWVTOTE-LJQANCHMSA-N 0 0 311.425 4.436 20 10 DICDRN Cc1ccc(CN2Cc3nc(-c4ccccc4)sc3C2)c(O)c1 ZINC001140953778 1046960146 /nfs/dbraw/zinc/96/01/46/1046960146.db2.gz DLZIMAWHUBYYKU-UHFFFAOYSA-N 0 0 322.433 4.340 20 10 DICDRN Cc1cccc(C(=O)Nc2cccc(N3CCC(C)CC3)c2)c1 ZINC000303765462 1046964417 /nfs/dbraw/zinc/96/44/17/1046964417.db2.gz GAICLHXAOQRQIW-UHFFFAOYSA-N 0 0 308.425 4.484 20 10 DICDRN COc1ccc(N(CCC(C)C)Cc2cnc(Cl)cn2)cc1 ZINC000799169336 1047006864 /nfs/dbraw/zinc/00/68/64/1047006864.db2.gz GMTOSIRCORJGEU-UHFFFAOYSA-N 0 0 319.836 4.191 20 10 DICDRN CN(Cc1ccc(Cl)cc1Cl)Cc1cc(O)ccc1O ZINC001141156884 1047030281 /nfs/dbraw/zinc/03/02/81/1047030281.db2.gz WIZGVHGNMIJIQS-UHFFFAOYSA-N 0 0 312.196 4.037 20 10 DICDRN CN(Cc1ccccc1O)C(=O)Nc1ccc2ccccc2c1 ZINC000097444829 1047040081 /nfs/dbraw/zinc/04/00/81/1047040081.db2.gz WFURGBHPKMHWHS-UHFFFAOYSA-N 0 0 306.365 4.209 20 10 DICDRN Cc1cc(CN2CCCc3cc(O)c(O)cc3C2)ccc1Cl ZINC001141236210 1047058203 /nfs/dbraw/zinc/05/82/03/1047058203.db2.gz NXKJBFXGXPOJBV-UHFFFAOYSA-N 0 0 317.816 4.008 20 10 DICDRN CCCC[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000799880626 1047066403 /nfs/dbraw/zinc/06/64/03/1047066403.db2.gz CCRLAIGRLZVRHZ-MRXNPFEDSA-N 0 0 304.478 4.316 20 10 DICDRN C[N@H+](Cc1c(F)ccc(F)c1[O-])C12CC3CC(CC(C3)C1)C2 ZINC001139683027 1047072731 /nfs/dbraw/zinc/07/27/31/1047072731.db2.gz GYQJYZPQRDOJLR-UHFFFAOYSA-N 0 0 307.384 4.071 20 10 DICDRN Cc1cc(C(=O)NC(C2CC2)C2CC2)c(C)n1-c1ccccc1C ZINC001141314476 1047085225 /nfs/dbraw/zinc/08/52/25/1047085225.db2.gz RBYGEJKOJPOJPX-UHFFFAOYSA-N 0 0 322.452 4.321 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1cccc(C)c1 ZINC001141382963 1047111605 /nfs/dbraw/zinc/11/16/05/1047111605.db2.gz SUAQJCUMCCWRIP-UHFFFAOYSA-N 0 0 324.449 4.394 20 10 DICDRN CC[C@@H]1CCCC[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001137443106 1047121906 /nfs/dbraw/zinc/12/19/06/1047121906.db2.gz BYFUXFWLBQVDHM-RHSMWYFYSA-N 0 0 315.457 4.104 20 10 DICDRN CC(C)c1nnc(NCc2ccc(N3CCC(C)CC3)cc2)o1 ZINC000827594269 1047124189 /nfs/dbraw/zinc/12/41/89/1047124189.db2.gz FGPYHIAIYPEGIC-UHFFFAOYSA-N 0 0 314.433 4.041 20 10 DICDRN C[C@H](Nc1nc(C(C)(C)C)ns1)c1ccc(N(C)C)cc1 ZINC001116667348 1047166509 /nfs/dbraw/zinc/16/65/09/1047166509.db2.gz NFDDNMVJPZAMDG-NSHDSACASA-N 0 0 304.463 4.075 20 10 DICDRN O=C(NCc1ccccc1O)c1ccc2c(c1)oc1ccccc12 ZINC001117139879 1047195670 /nfs/dbraw/zinc/19/56/70/1047195670.db2.gz VPRRLMUVVSNRAZ-UHFFFAOYSA-N 0 0 317.344 4.222 20 10 DICDRN CCOc1cccc(CNc2ccc(OC)c(SC)c2)c1O ZINC000839151356 1047198822 /nfs/dbraw/zinc/19/88/22/1047198822.db2.gz YIOBFCCYIVSYCJ-UHFFFAOYSA-N 0 0 319.426 4.134 20 10 DICDRN COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000839164289 1047201019 /nfs/dbraw/zinc/20/10/19/1047201019.db2.gz ZIEHDWXMLHQANU-LLVKDONJSA-N 0 0 323.795 4.353 20 10 DICDRN CCc1sc(-c2nnc(CSc3nccs3)o2)cc1C ZINC000133224243 1047201192 /nfs/dbraw/zinc/20/11/92/1047201192.db2.gz DCFCRUQBDNNHML-UHFFFAOYSA-N 0 0 323.468 4.418 20 10 DICDRN CC[C@H](OC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)o1 ZINC001117204122 1047206231 /nfs/dbraw/zinc/20/62/31/1047206231.db2.gz UZEGGOWDPQHOLV-INIZCTEOSA-N 0 0 311.385 4.242 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)Cc1cccc(C2CC2)c1 ZINC000839621782 1047251679 /nfs/dbraw/zinc/25/16/79/1047251679.db2.gz MHVCUAFDWSNJRQ-UHFFFAOYSA-N 0 0 323.436 4.251 20 10 DICDRN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc(N)cc1 ZINC000385463766 1047273721 /nfs/dbraw/zinc/27/37/21/1047273721.db2.gz LEBXZRAULRHUKP-AWEZNQCLSA-N 0 0 309.413 4.101 20 10 DICDRN C[C@@H](Nc1cc2c(cc1Cl)OCCO2)c1cc(F)ccc1O ZINC000388576379 1047286422 /nfs/dbraw/zinc/28/64/22/1047286422.db2.gz FBLKYTRRDLXEOY-SECBINFHSA-N 0 0 323.751 4.129 20 10 DICDRN C[C@@H]([NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC001118428747 1047294823 /nfs/dbraw/zinc/29/48/23/1047294823.db2.gz VWVKWBQHIOBKDM-GTDKDYCYSA-N 0 0 322.182 4.393 20 10 DICDRN COc1ccc2cc(NCc3cccc(OC)c3O)ccc2c1 ZINC000796459028 1047299669 /nfs/dbraw/zinc/29/96/69/1047299669.db2.gz OXYZGQKEUPDSNE-UHFFFAOYSA-N 0 0 309.365 4.175 20 10 DICDRN COC1CCC([NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])CC1 ZINC000840792380 1047332941 /nfs/dbraw/zinc/33/29/41/1047332941.db2.gz KEDRCULUKMRHII-WHXUTIOJSA-N 0 0 318.244 4.307 20 10 DICDRN CC[C@H](Nc1cccc(COCCOC)c1)c1ccccc1O ZINC000390937271 1047302670 /nfs/dbraw/zinc/30/26/70/1047302670.db2.gz KKZVVCLUGHMPJK-SFHVURJKSA-N 0 0 315.413 4.118 20 10 DICDRN CCCOc1ccc(CNCc2nc(C(C)(C)C)co2)cc1C ZINC000897941705 1047304758 /nfs/dbraw/zinc/30/47/58/1047304758.db2.gz DDBFIAZYIUYISY-UHFFFAOYSA-N 0 0 316.445 4.359 20 10 DICDRN Cc1cccnc1[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])C(C)(C)C ZINC000897995021 1047307779 /nfs/dbraw/zinc/30/77/79/1047307779.db2.gz VEYGCMXUMWLHIU-QGZVFWFLSA-N 0 0 320.383 4.251 20 10 DICDRN C[C@@H](NC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)c1ccccc1O ZINC000827955524 1047307796 /nfs/dbraw/zinc/30/77/96/1047307796.db2.gz ARCOUVMQRBFCQT-DJIMGWMZSA-N 0 0 309.409 4.153 20 10 DICDRN CC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(F)c(F)cc1[O-] ZINC001142527463 1047310310 /nfs/dbraw/zinc/31/03/10/1047310310.db2.gz VRCCCDUFZSZIDN-UHFFFAOYSA-N 0 0 311.759 4.346 20 10 DICDRN C/C(=C/c1cccnc1)C(=O)N1CC2(CCCC2)c2ccccc21 ZINC001126786180 1047313955 /nfs/dbraw/zinc/31/39/55/1047313955.db2.gz QGVRTKZRNOSJBZ-SSZFMOIBSA-N 0 0 318.420 4.344 20 10 DICDRN CCc1nc(CN(c2ccc(OC)c(F)c2)C(C)C)cs1 ZINC000725816583 1047317855 /nfs/dbraw/zinc/31/78/55/1047317855.db2.gz ZESDDMFQCDBTTK-UHFFFAOYSA-N 0 0 308.422 4.268 20 10 DICDRN CC(C)(C)c1nc(CNCc2cc(Cl)ccc2O)cs1 ZINC000725852193 1047321665 /nfs/dbraw/zinc/32/16/65/1047321665.db2.gz IEKYHQFIIVGCAE-UHFFFAOYSA-N 0 0 310.850 4.089 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000898218214 1047323558 /nfs/dbraw/zinc/32/35/58/1047323558.db2.gz AVYQVKMPWIUUMS-XJKSGUPXSA-N 0 0 316.832 4.257 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)CCCc1cccnc1)c1ccc(F)cc1[O-] ZINC000840774923 1047330473 /nfs/dbraw/zinc/33/04/73/1047330473.db2.gz MIJRDCOHUXIJKX-RDTXWAMCSA-N 0 0 316.420 4.378 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)c1cc(F)cc(F)c1[O-] ZINC000840775005 1047331434 /nfs/dbraw/zinc/33/14/34/1047331434.db2.gz OSJISWLLQQEKKK-QWHCGFSZSA-N 0 0 320.383 4.127 20 10 DICDRN COCC[C@@H](C)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000840835259 1047341471 /nfs/dbraw/zinc/34/14/71/1047341471.db2.gz LGUSUHXJPJQWMX-ZJUUUORDSA-N 0 0 306.233 4.022 20 10 DICDRN CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)NCc1ccccc1O ZINC000726242358 1047342211 /nfs/dbraw/zinc/34/22/11/1047342211.db2.gz XZSBADBMMPNJLQ-HOCLYGCPSA-N 0 0 318.461 4.044 20 10 DICDRN COc1cc(N[C@H](C)c2ccccc2O)c(Cl)c(OC)c1 ZINC000840850734 1047344157 /nfs/dbraw/zinc/34/41/57/1047344157.db2.gz VXXNCZDFKZRFNB-SNVBAGLBSA-N 0 0 307.777 4.236 20 10 DICDRN C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000840873358 1047349233 /nfs/dbraw/zinc/34/92/33/1047349233.db2.gz TXRXKQLWWLWRJY-CHWFTXMASA-N 0 0 318.244 4.163 20 10 DICDRN C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000840872281 1047349338 /nfs/dbraw/zinc/34/93/38/1047349338.db2.gz JKUBRLJJCNXYSS-GWOFURMSSA-N 0 0 318.244 4.163 20 10 DICDRN CC[C@H](Nc1cccc([C@@H]2CCC(=O)N2)c1)c1ccc(C)cc1O ZINC000840885217 1047353199 /nfs/dbraw/zinc/35/31/99/1047353199.db2.gz WCWZYOJSOSCFCG-ROUUACIJSA-N 0 0 324.424 4.215 20 10 DICDRN CO[C@@H]1Cc2ccc(NCc3c(O)cc(C)cc3Cl)cc2C1 ZINC000840937138 1047360032 /nfs/dbraw/zinc/36/00/32/1047360032.db2.gz PDBHAUJYEZXOMG-OAHLLOKOSA-N 0 0 317.816 4.080 20 10 DICDRN Oc1c(F)cc(Cl)cc1CNc1ccc2c(c1)CCCN2 ZINC000841037789 1047373250 /nfs/dbraw/zinc/37/32/50/1047373250.db2.gz XLVFZQTYFXKJMS-UHFFFAOYSA-N 0 0 306.768 4.155 20 10 DICDRN Cc1cc2cc(C[NH2+]Cc3c([O-])ccc(Cl)c3F)ccc2[nH]1 ZINC000796528570 1047378834 /nfs/dbraw/zinc/37/88/34/1047378834.db2.gz WBDAKHOGWDGJMZ-UHFFFAOYSA-N 0 0 318.779 4.264 20 10 DICDRN C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)Nc1ccc(N)cc1 ZINC000841296060 1047399401 /nfs/dbraw/zinc/39/94/01/1047399401.db2.gz OFLRENKTJNUGKY-FZKQIMNGSA-N 0 0 309.413 4.104 20 10 DICDRN CC[C@@H](CN(CC)C(=O)Nc1ccc(N)cc1)c1ccccc1 ZINC000841295981 1047399604 /nfs/dbraw/zinc/39/96/04/1047399604.db2.gz LZGWXUSKLLYEDT-HNNXBMFYSA-N 0 0 311.429 4.316 20 10 DICDRN Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Nc2ccc(N)cc2)o1 ZINC000841296515 1047400066 /nfs/dbraw/zinc/40/00/66/1047400066.db2.gz ULMTUBFNPSOOAU-MLGOLLRUSA-N 0 0 313.401 4.175 20 10 DICDRN C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)Nc2ccc(N)cc2)C1 ZINC000841299246 1047400159 /nfs/dbraw/zinc/40/01/59/1047400159.db2.gz HYZLXMALFDEZTK-KSSFIOAISA-N 0 0 309.413 4.274 20 10 DICDRN Nc1ccc(NC(=O)NC[C@H]2CCCC[C@@H]2c2ccccc2)cc1 ZINC000841298133 1047400524 /nfs/dbraw/zinc/40/05/24/1047400524.db2.gz 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/nfs/dbraw/zinc/04/58/59/1049045859.db2.gz VPSFGOTUQYFVFX-ICCXJUOJSA-N 0 0 320.260 4.147 20 10 DICDRN CC[C@H](COC)[NH2+][C@@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775509991 1049047911 /nfs/dbraw/zinc/04/79/11/1049047911.db2.gz SYHXSJNVTCEDKW-SKDRFNHKSA-N 0 0 306.233 4.165 20 10 DICDRN C/C=C(C)/C=C/C(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001178516841 1049050069 /nfs/dbraw/zinc/05/00/69/1049050069.db2.gz UPITWODYKMWTSC-LHCTVKHISA-N 0 0 313.441 4.271 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H](OC)C(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775511638 1049056275 /nfs/dbraw/zinc/05/62/75/1049056275.db2.gz FZJYPIYVGSUWSN-CHWSQXEVSA-N 0 0 320.260 4.411 20 10 DICDRN CC[C@H]([NH2+][C@@H](CC)C1CCOCC1)c1cc(Cl)ccc1O ZINC000775514376 1049062747 /nfs/dbraw/zinc/06/27/47/1049062747.db2.gz ZRUVZPQYNSBTQO-HOTGVXAUSA-N 0 0 311.853 4.292 20 10 DICDRN CC[C@@H]([NH2+]C[C@H](C)SC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775522882 1049082358 /nfs/dbraw/zinc/08/23/58/1049082358.db2.gz AMZXTGASPARALV-GZMMTYOYSA-N 0 0 308.274 4.491 20 10 DICDRN CCOc1ncc(C)cc1NCc1ccc(N2CCCC2)cc1 ZINC001178805979 1049092105 /nfs/dbraw/zinc/09/21/05/1049092105.db2.gz OBCLDNKTOHLATJ-UHFFFAOYSA-N 0 0 311.429 4.001 20 10 DICDRN O=C(Nc1ccc2sccc2c1)N1CCc2cccc(O)c2C1 ZINC001192445445 1049106178 /nfs/dbraw/zinc/10/61/78/1049106178.db2.gz XSHONWZLTAHAJE-UHFFFAOYSA-N 0 0 324.405 4.197 20 10 DICDRN Oc1cccc2c1CN(Cc1cccc(Cl)c1Cl)CC2 ZINC001204184879 1049107451 /nfs/dbraw/zinc/10/74/51/1049107451.db2.gz MUECSINBTURHTE-UHFFFAOYSA-N 0 0 308.208 4.257 20 10 DICDRN C=COc1ccc(NCc2cc(F)c(N(C)C)cc2F)cc1 ZINC001178922321 1049111223 /nfs/dbraw/zinc/11/12/23/1049111223.db2.gz UWMRCRIVPHDIOD-UHFFFAOYSA-N 0 0 304.340 4.165 20 10 DICDRN CCC1CC[NH+](Cc2cc(C)cc(Br)c2[O-])CC1 ZINC001204230332 1049116249 /nfs/dbraw/zinc/11/62/49/1049116249.db2.gz YYXSCSBJYDNALQ-UHFFFAOYSA-N 0 0 312.251 4.085 20 10 DICDRN CC[C@H](Nc1ccc(CCO)cc1)c1cc(Cl)ccc1O ZINC000775540991 1049124823 /nfs/dbraw/zinc/12/48/23/1049124823.db2.gz RNOMYVKZLLECPY-INIZCTEOSA-N 0 0 305.805 4.144 20 10 DICDRN CCCC[C@@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)C(C)C ZINC000857117118 1049128908 /nfs/dbraw/zinc/12/89/08/1049128908.db2.gz VXOIAOACQYIOIJ-DZGCQCFKSA-N 0 0 307.434 4.040 20 10 DICDRN Cc1cc(C(=O)N2CCC[C@H](C)C2)c(C)n1-c1ccccc1C ZINC000068883117 1049141395 /nfs/dbraw/zinc/14/13/95/1049141395.db2.gz SMEAUAVKYZDUNL-AWEZNQCLSA-N 0 0 310.441 4.275 20 10 DICDRN CN(C)c1ccc(CN(C)C(=O)c2cccc(C(C)(C)C)c2)cc1 ZINC000857433574 1049146111 /nfs/dbraw/zinc/14/61/11/1049146111.db2.gz HUAXBSOPMHYAKZ-UHFFFAOYSA-N 0 0 324.468 4.322 20 10 DICDRN CC1(C)C[N@H+](Cc2c([O-])ccc(Cl)c2F)Cc2ccccc21 ZINC001204348043 1049147364 /nfs/dbraw/zinc/14/73/64/1049147364.db2.gz NTQQBFWYMMTEOQ-UHFFFAOYSA-N 0 0 319.807 4.478 20 10 DICDRN Cc1cc(-c2nc([C@@H]3C[C@H]3C)no2)c(C)n1-c1ccc(F)cc1 ZINC000904816055 1049153180 /nfs/dbraw/zinc/15/31/80/1049153180.db2.gz ILARPZIWCCEIKO-MEBBXXQBSA-N 0 0 311.360 4.407 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)c1cccc(C2CC2)c1 ZINC000857467176 1049153995 /nfs/dbraw/zinc/15/39/95/1049153995.db2.gz VAXBYIDYMAJOMM-UHFFFAOYSA-N 0 0 309.409 4.322 20 10 DICDRN Cc1cc(Cc2nc([C@H]3C[C@@H]3C)no2)c(C)n1-c1ccccc1 ZINC000904823753 1049156455 /nfs/dbraw/zinc/15/64/55/1049156455.db2.gz VJVPSFLCJILJOM-SJCJKPOMSA-N 0 0 307.397 4.191 20 10 DICDRN CC(C)(C)C1CCC(CC(=O)NCc2ccccc2O)CC1 ZINC000857472505 1049158002 /nfs/dbraw/zinc/15/80/02/1049158002.db2.gz VPFSNZFBXAIRLP-UHFFFAOYSA-N 0 0 303.446 4.251 20 10 DICDRN Cc1c2ccccc2n(C)c1CNc1nc2ccc(C)cc2[nH]1 ZINC001179442549 1049164560 /nfs/dbraw/zinc/16/45/60/1049164560.db2.gz DXBDFDBKMOTEMC-UHFFFAOYSA-N 0 0 304.397 4.284 20 10 DICDRN Nc1ccc(N(c2ccc(N)cc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC001204475218 1049170415 /nfs/dbraw/zinc/17/04/15/1049170415.db2.gz AEGKJIZRSNVZGW-UHFFFAOYSA-N 0 0 320.352 4.229 20 10 DICDRN CC1(C)CCC[C@@H](CC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000857547779 1049172986 /nfs/dbraw/zinc/17/29/86/1049172986.db2.gz TVSMNJORJICTRE-LBPRGKRZSA-N 0 0 309.837 4.268 20 10 DICDRN CCc1ccc([C@H](C)C(=O)NCc2cc(Cl)ccc2O)cc1 ZINC000857547593 1049173229 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ZINC001179854694 1049215363 /nfs/dbraw/zinc/21/53/63/1049215363.db2.gz JAEUBQSFJBDZSE-UHFFFAOYSA-N 0 0 319.452 4.101 20 10 DICDRN Cc1cc(O)c(CN2CC[C@@H]2c2cccc(F)c2)cc1Cl ZINC001179854157 1049216540 /nfs/dbraw/zinc/21/65/40/1049216540.db2.gz BEQIJSRQBDEWKJ-MRXNPFEDSA-N 0 0 305.780 4.440 20 10 DICDRN C[C@H]1c2ccccc2CC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC001179855620 1049218851 /nfs/dbraw/zinc/21/88/51/1049218851.db2.gz XQOYUIRMKGPTOK-NSHDSACASA-N 0 0 305.780 4.304 20 10 DICDRN C[C@@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2F)[C@@H]1c1ccccc1 ZINC001204679875 1049222397 /nfs/dbraw/zinc/22/23/97/1049222397.db2.gz BHTBGBMMVCIWHH-DIFFPNOSSA-N 0 0 305.780 4.378 20 10 DICDRN Cc1cc(CNCc2nc(C)c(C)[nH]2)c(C)n1-c1cccc(C)c1 ZINC000858292921 1049236638 /nfs/dbraw/zinc/23/66/38/1049236638.db2.gz HLSKFJBSCAIAKV-UHFFFAOYSA-N 0 0 322.456 4.032 20 10 DICDRN Cc1cc(O)c(CN2CC=C(C(F)(F)F)CC2)cc1Cl ZINC001179904004 1049238907 /nfs/dbraw/zinc/23/89/07/1049238907.db2.gz AMUQYCNUWKAHPW-UHFFFAOYSA-N 0 0 305.727 4.048 20 10 DICDRN Cc1cc(O)c(CNc2ccc3c(c2)[C@@H](C)CC(=O)N3C)cc1C ZINC000858311614 1049238984 /nfs/dbraw/zinc/23/89/84/1049238984.db2.gz LFFKRTMLZXFFJI-AWEZNQCLSA-N 0 0 324.424 4.091 20 10 DICDRN [O-]c1c(F)cccc1C[N@@H+]1CCCC[C@H]1Cc1ccc(F)cc1 ZINC001204750280 1049252620 /nfs/dbraw/zinc/25/26/20/1049252620.db2.gz ZAKPDVFKWRPZHK-KRWDZBQOSA-N 0 0 317.379 4.268 20 10 DICDRN CCCCCOC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001193763484 1049260560 /nfs/dbraw/zinc/26/05/60/1049260560.db2.gz UVLSEQBVKICILL-UHFFFAOYSA-N 0 0 304.434 4.045 20 10 DICDRN CC[N@H+](Cc1ccc(F)c(F)c1[O-])[C@@H](C)c1ccc(F)cc1 ZINC001180043756 1049263961 /nfs/dbraw/zinc/26/39/61/1049263961.db2.gz XVQWLXIIJIPQCF-NSHDSACASA-N 0 0 309.331 4.393 20 10 DICDRN C[C@H](Cc1cccs1)[N@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC001180058789 1049269628 /nfs/dbraw/zinc/26/96/28/1049269628.db2.gz UBPSMQCVEUEGQL-SNVBAGLBSA-N 0 0 313.825 4.309 20 10 DICDRN CCn1cc([C@H](C)[NH2+]Cc2cc(C)n(-c3ccccc3)c2C)cn1 ZINC000858542539 1049271417 /nfs/dbraw/zinc/27/14/17/1049271417.db2.gz LROKACKZXQSKFY-INIZCTEOSA-N 0 0 322.456 4.161 20 10 DICDRN Cc1cc(C[NH2+][C@H](C)c2ccc(F)cn2)c(C)n1-c1ccccc1 ZINC000858544007 1049272194 /nfs/dbraw/zinc/27/21/94/1049272194.db2.gz XSFWWDXPIOMCEQ-OAHLLOKOSA-N 0 0 323.415 4.479 20 10 DICDRN COCc1ccc(N[C@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000858567719 1049276837 /nfs/dbraw/zinc/27/68/37/1049276837.db2.gz IWSCLGURVPBMNA-CQSZACIVSA-N 0 0 314.429 4.081 20 10 DICDRN C[C@]1(c2ccccc2)CCC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC001180133538 1049278813 /nfs/dbraw/zinc/27/88/13/1049278813.db2.gz XUGGZRLISZTQTJ-IBGZPJMESA-N 0 0 317.379 4.224 20 10 DICDRN C[C@H]1C[C@H](NC(=O)/C=C/c2ccc(N(C)C)cc2)c2ccccc21 ZINC001180130014 1049279579 /nfs/dbraw/zinc/27/95/79/1049279579.db2.gz QXWXRLUKOOPOFI-FYKSETSCSA-N 0 0 320.436 4.131 20 10 DICDRN CC(C)c1ccc(O)c(CNc2cccc(NC(=O)C3CC3)c2)c1 ZINC001180285181 1049337819 /nfs/dbraw/zinc/33/78/19/1049337819.db2.gz ZBHRSXFIEZDQNQ-UHFFFAOYSA-N 0 0 324.424 4.476 20 10 DICDRN CCCCCCOC(=O)NCc1cc2ccccc2cc1O ZINC001194204128 1049341795 /nfs/dbraw/zinc/34/17/95/1049341795.db2.gz RIGKMVLVKBKDPL-UHFFFAOYSA-N 0 0 301.386 4.352 20 10 DICDRN CN(C)c1ccc(CN(C)c2ccccc2)c(C(F)(F)F)c1 ZINC001180479527 1049362258 /nfs/dbraw/zinc/36/22/58/1049362258.db2.gz PXNZMIMOTTVHAW-UHFFFAOYSA-N 0 0 308.347 4.408 20 10 DICDRN COc1ccc(N(Cc2ccc(Cl)cn2)CC2CC2)cc1 ZINC001194468366 1049376754 /nfs/dbraw/zinc/37/67/54/1049376754.db2.gz YFBPJKXZHNHISN-UHFFFAOYSA-N 0 0 302.805 4.160 20 10 DICDRN [O-]c1c(F)cc(F)cc1C[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC001180557304 1049380730 /nfs/dbraw/zinc/38/07/30/1049380730.db2.gz BGNAQDHGQGZLKQ-UHFFFAOYSA-N 0 0 323.770 4.488 20 10 DICDRN Cc1cc(C(F)F)oc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000860950375 1049423219 /nfs/dbraw/zinc/42/32/19/1049423219.db2.gz MNLSLGQWPYPPGF-LLVKDONJSA-N 0 0 322.355 4.083 20 10 DICDRN CCN(Cc1cc(F)c(F)cc1O)c1ccc2[nH]ccc2c1 ZINC001180954458 1049423489 /nfs/dbraw/zinc/42/34/89/1049423489.db2.gz WIWLIAXWRGFXHA-UHFFFAOYSA-N 0 0 302.324 4.178 20 10 DICDRN CCn1nccc1Nc1ccccc1C(=O)c1ccc(F)cc1 ZINC001205294809 1049431428 /nfs/dbraw/zinc/43/14/28/1049431428.db2.gz AHDSWYWYTCOEGC-UHFFFAOYSA-N 0 0 309.344 4.017 20 10 DICDRN Cc1cccc(C2=CC[N@H+](Cc3ccc(F)c(F)c3[O-])CC2)c1 ZINC001205360103 1049450691 /nfs/dbraw/zinc/45/06/91/1049450691.db2.gz MPUQEYVKNHMDIY-UHFFFAOYSA-N 0 0 315.363 4.268 20 10 DICDRN Cc1cc(O)c(CN2CCc3cc(F)ccc3C2)c(Cl)c1 ZINC001205379214 1049454389 /nfs/dbraw/zinc/45/43/89/1049454389.db2.gz AFEANLHFVLLSMJ-UHFFFAOYSA-N 0 0 305.780 4.051 20 10 DICDRN Oc1c(F)cc(F)cc1CN1CC2(CCC2)c2ccccc21 ZINC001205399405 1049460951 /nfs/dbraw/zinc/46/09/51/1049460951.db2.gz GPURMHIAYRZZRG-UHFFFAOYSA-N 0 0 301.336 4.112 20 10 DICDRN C[N@H+](Cc1ccc(F)c(Cl)c1)Cc1cccc(Cl)c1[O-] ZINC001205408788 1049461722 /nfs/dbraw/zinc/46/17/22/1049461722.db2.gz CPPIQCGZJAGCQI-UHFFFAOYSA-N 0 0 314.187 4.470 20 10 DICDRN C/C(=C/c1ccccc1)C[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC001205403086 1049462291 /nfs/dbraw/zinc/46/22/91/1049462291.db2.gz QQSHRHLNUAUTLD-JYRVWZFOSA-N 0 0 303.352 4.206 20 10 DICDRN CC[N@H+](Cc1c[nH]c2ccccc12)Cc1cc(F)c(F)cc1[O-] ZINC001205423580 1049467831 /nfs/dbraw/zinc/46/78/31/1049467831.db2.gz UCCLYWNMYVKRAT-UHFFFAOYSA-N 0 0 316.351 4.174 20 10 DICDRN [O-]c1c(Cl)cccc1C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000775634752 1049472658 /nfs/dbraw/zinc/47/26/58/1049472658.db2.gz WAHZFCJHFRQGCL-UHFFFAOYSA-N 0 0 305.780 4.349 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)Nc1cc(C)cc(C)c1 ZINC000118790758 1049477399 /nfs/dbraw/zinc/47/73/99/1049477399.db2.gz ZMRZECOINWGLKW-UHFFFAOYSA-N 0 0 312.413 4.453 20 10 DICDRN CCCCOc1ccc(NCc2ccc(Cl)cc2O)cn1 ZINC001205471676 1049479019 /nfs/dbraw/zinc/47/90/19/1049479019.db2.gz PYLMYUYWACTBFE-UHFFFAOYSA-N 0 0 306.793 4.232 20 10 DICDRN [O-]c1c(C[NH2+]CCCCCc2ccc(F)cc2)ccc(F)c1F ZINC001205475510 1049479187 /nfs/dbraw/zinc/47/91/87/1049479187.db2.gz OHUZJTUMFWFZQT-UHFFFAOYSA-N 0 0 323.358 4.312 20 10 DICDRN C[C@@H]1CC[C@H](C)[C@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC001181465146 1049480668 /nfs/dbraw/zinc/48/06/68/1049480668.db2.gz UYHVYGZYEXXMII-UHIISALHSA-N 0 0 312.251 4.069 20 10 DICDRN CC[C@H]1CN(Cc2c(O)ccc(Cl)c2F)c2ccccc2O1 ZINC001205480804 1049480673 /nfs/dbraw/zinc/48/06/73/1049480673.db2.gz LVKXZASVXRXFMF-NSHDSACASA-N 0 0 321.779 4.362 20 10 DICDRN CC[C@@H](C)OC(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001195161617 1049489625 /nfs/dbraw/zinc/48/96/25/1049489625.db2.gz MHTGNGKJXHIABU-MLGOLLRUSA-N 0 0 305.418 4.157 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001205535095 1049494342 /nfs/dbraw/zinc/49/43/42/1049494342.db2.gz DDQZBCLWZKLXAP-LBPRGKRZSA-N 0 0 323.770 4.313 20 10 DICDRN CCC(F)(F)C(C)(C)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000862498273 1049498587 /nfs/dbraw/zinc/49/85/87/1049498587.db2.gz BQTMVWZGQJZMCK-UHFFFAOYSA-N 0 0 309.759 4.346 20 10 DICDRN COCc1ccc(NCc2cc(Cl)cc(C)c2O)cc1OC ZINC000862535858 1049500050 /nfs/dbraw/zinc/50/00/50/1049500050.db2.gz AMFFHIZZBNKDAH-UHFFFAOYSA-N 0 0 321.804 4.121 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000862536822 1049500101 /nfs/dbraw/zinc/50/01/01/1049500101.db2.gz WODXXXAVHPJYSV-UHFFFAOYSA-N 0 0 307.743 4.258 20 10 DICDRN Cc1c[nH]nc1NC(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195255646 1049501219 /nfs/dbraw/zinc/50/12/19/1049501219.db2.gz RHAGLUFWFBOQBL-QZQOTICOSA-N 0 0 321.340 4.091 20 10 DICDRN CC(F)(F)CNC(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195253963 1049501932 /nfs/dbraw/zinc/50/19/32/1049501932.db2.gz IBEIZOYBQDJRFW-QZQOTICOSA-N 0 0 319.311 4.193 20 10 DICDRN COc1ccc(N(Cc2ncccc2Cl)CC(C)C)cc1 ZINC001195257972 1049502162 /nfs/dbraw/zinc/50/21/62/1049502162.db2.gz LQCQCAXXSVKRKT-UHFFFAOYSA-N 0 0 304.821 4.406 20 10 DICDRN [O-]c1c(Br)cccc1C[NH2+]C1CCC2(CCC2)CC1 ZINC001205666717 1049528713 /nfs/dbraw/zinc/52/87/13/1049528713.db2.gz BLIUQBKZKFNQSY-UHFFFAOYSA-N 0 0 324.262 4.357 20 10 DICDRN COCC[N@H+](Cc1cccc(Cl)c1[O-])[C@@H](C)c1ccccc1 ZINC000775656998 1049532000 /nfs/dbraw/zinc/53/20/00/1049532000.db2.gz SJQZCWOJTNIIES-AWEZNQCLSA-N 0 0 319.832 4.255 20 10 DICDRN Cc1cc(CNC(=O)CCC(C)(F)F)c(C)n1-c1ccccc1 ZINC000863166207 1049539548 /nfs/dbraw/zinc/53/95/48/1049539548.db2.gz MNKZWQXJNDEFPA-UHFFFAOYSA-N 0 0 320.383 4.146 20 10 DICDRN CCc1cccc(CNc2ccc(-n3ccc(C)n3)cc2)c1O ZINC001205753130 1049553726 /nfs/dbraw/zinc/55/37/26/1049553726.db2.gz UGEDEFBGDJXPCH-UHFFFAOYSA-N 0 0 307.397 4.061 20 10 DICDRN CCc1ccc([C@@H]2CC[N@H+](Cc3cc(F)cc(F)c3[O-])C2)cc1 ZINC001182072511 1049570507 /nfs/dbraw/zinc/57/05/07/1049570507.db2.gz PTCWDVVHWDTTID-OAHLLOKOSA-N 0 0 317.379 4.222 20 10 DICDRN COc1cccc(Nc2ccc(NCC3(O)CCCC3)cc2)c1 ZINC000863571308 1049572133 /nfs/dbraw/zinc/57/21/33/1049572133.db2.gz VKKOAISQGBVUPH-UHFFFAOYSA-N 0 0 312.413 4.156 20 10 DICDRN COc1ccc2c(c1)CCCCN2Cc1ccc2c(c1)C[C@H](C)O2 ZINC001182159785 1049580445 /nfs/dbraw/zinc/58/04/45/1049580445.db2.gz BRTHBPMVQLPACJ-HNNXBMFYSA-N 0 0 323.436 4.362 20 10 DICDRN CCO[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001182195895 1049588849 /nfs/dbraw/zinc/58/88/49/1049588849.db2.gz JYXWMJZQTNWTPA-CHWSQXEVSA-N 0 0 318.244 4.136 20 10 DICDRN C[C@H]([NH2+]CCCOCC1CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774113134 1049602971 /nfs/dbraw/zinc/60/29/71/1049602971.db2.gz XRJFVJUBUYVDDN-JTQLQIEISA-N 0 0 318.244 4.166 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC001205952401 1049609094 /nfs/dbraw/zinc/60/90/94/1049609094.db2.gz QFVSDHDTHIIOMI-NSHDSACASA-N 0 0 323.770 4.313 20 10 DICDRN COc1cccc(CNc2cccc(-c3nccs3)c2)c1O ZINC000119765943 1049612046 /nfs/dbraw/zinc/61/20/46/1049612046.db2.gz VDPNGFVJRFAXEW-UHFFFAOYSA-N 0 0 312.394 4.136 20 10 DICDRN Cc1ncsc1C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774160790 1049615203 /nfs/dbraw/zinc/61/52/03/1049615203.db2.gz BEIVMVAHQQCFHX-ZETCQYMHSA-N 0 0 317.241 4.315 20 10 DICDRN CC[C@H](C)[C@@](C)(O)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774186008 1049618442 /nfs/dbraw/zinc/61/84/42/1049618442.db2.gz WQXKAKPOIMXVMC-WMFXKJRFSA-N 0 0 320.260 4.147 20 10 DICDRN CCN(Cc1ccccc1O)C(=S)Nc1ccc(F)cc1C ZINC001196113833 1049620801 /nfs/dbraw/zinc/62/08/01/1049620801.db2.gz NWCVGYJUJWJHQM-UHFFFAOYSA-N 0 0 318.417 4.059 20 10 DICDRN CC[C@H](C)Oc1cccc(NCc2c(C)cc(OC)cc2O)c1 ZINC001205990490 1049621429 /nfs/dbraw/zinc/62/14/29/1049621429.db2.gz RUWMZLCCOCVQEQ-AWEZNQCLSA-N 0 0 315.413 4.499 20 10 DICDRN CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774199690 1049622527 /nfs/dbraw/zinc/62/25/27/1049622527.db2.gz CZJCCLVBIWWLQV-OUAUKWLOSA-N 0 0 320.260 4.147 20 10 DICDRN CN(C)c1cc(F)cc(NCc2ccc3ccccc3c2O)c1 ZINC000864016883 1049622767 /nfs/dbraw/zinc/62/27/67/1049622767.db2.gz XRPVUEGIFMOOCO-UHFFFAOYSA-N 0 0 310.372 4.363 20 10 DICDRN CO[C@H](C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])C(C)C ZINC000774202770 1049622913 /nfs/dbraw/zinc/62/29/13/1049622913.db2.gz ODJWZEHVFKPLGB-LKFCYVNXSA-N 0 0 306.233 4.021 20 10 DICDRN CSCCCC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774204224 1049623729 /nfs/dbraw/zinc/62/37/29/1049623729.db2.gz XXRBZWMUDSOBHB-SECBINFHSA-N 0 0 308.274 4.493 20 10 DICDRN COC[C@H]([NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-])C(C)C ZINC000774204507 1049624384 /nfs/dbraw/zinc/62/43/84/1049624384.db2.gz IJEDKRYHKDOUPJ-RNCFNFMXSA-N 0 0 306.233 4.021 20 10 DICDRN COC[C@@H]([NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-])C(C)C ZINC000774204504 1049624542 /nfs/dbraw/zinc/62/45/42/1049624542.db2.gz IJEDKRYHKDOUPJ-NOZJJQNGSA-N 0 0 306.233 4.021 20 10 DICDRN C[C@H](Nc1cc(F)cc(N(C)C)c1)c1cc(Cl)ccc1O ZINC000864025795 1049628963 /nfs/dbraw/zinc/62/89/63/1049628963.db2.gz VCYKRBIFGLBVOE-JTQLQIEISA-N 0 0 308.784 4.424 20 10 DICDRN COc1ccc(N(Cc2cccc3c2CCOC3)CC2CC2)cc1 ZINC000864031286 1049631148 /nfs/dbraw/zinc/63/11/48/1049631148.db2.gz ZLJPRCNVFKDPGG-UHFFFAOYSA-N 0 0 323.436 4.185 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCCSC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774214225 1049632617 /nfs/dbraw/zinc/63/26/17/1049632617.db2.gz REGWSVFDGLIJJO-RKDXNWHRSA-N 0 0 306.258 4.245 20 10 DICDRN C[C@H](C[C@H]1CCOC1)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774229029 1049633113 /nfs/dbraw/zinc/63/31/13/1049633113.db2.gz YNFMYRXNEWMJHB-GMTAPVOTSA-N 0 0 318.244 4.165 20 10 DICDRN CSCCc1ccccc1NCc1ccc(N(C)C)cc1 ZINC000864034435 1049633531 /nfs/dbraw/zinc/63/35/31/1049633531.db2.gz JMGJASDVMJBXPS-UHFFFAOYSA-N 0 0 300.471 4.270 20 10 DICDRN C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774229035 1049633984 /nfs/dbraw/zinc/63/39/84/1049633984.db2.gz YNFMYRXNEWMJHB-VWYCJHECSA-N 0 0 318.244 4.165 20 10 DICDRN C[C@H]([NH2+]CC1(C)CCOCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774259685 1049638153 /nfs/dbraw/zinc/63/81/53/1049638153.db2.gz KKAZZDWDQOBWRC-JTQLQIEISA-N 0 0 318.244 4.166 20 10 DICDRN CC1(C)[C@H](c2ccccc2)CC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001182435849 1049650374 /nfs/dbraw/zinc/65/03/74/1049650374.db2.gz XDNATHNOMPCQJY-HNNXBMFYSA-N 0 0 317.379 4.439 20 10 DICDRN C[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774369792 1049652249 /nfs/dbraw/zinc/65/22/49/1049652249.db2.gz VPWPOBRIWBBUHN-ZJUUUORDSA-N 0 0 302.201 4.042 20 10 DICDRN C[C@@H]1CSc2ccccc2N(Cc2cc(F)ccc2O)C1 ZINC001206099125 1049653164 /nfs/dbraw/zinc/65/31/64/1049653164.db2.gz MIAFISSTZPUELB-LBPRGKRZSA-N 0 0 303.402 4.280 20 10 DICDRN CCCNc1ccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000774386372 1049655046 /nfs/dbraw/zinc/65/50/46/1049655046.db2.gz WBSDTVWWFMMGHA-LBPRGKRZSA-N 0 0 320.383 4.343 20 10 DICDRN C[C@H]([NH2+]CC[C@H]1CCCCO1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774351222 1049656541 /nfs/dbraw/zinc/65/65/41/1049656541.db2.gz CWKBQWSOCBPURS-WDEREUQCSA-N 0 0 318.244 4.309 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])[C@@H]1CCCOC1 ZINC000774353371 1049657214 /nfs/dbraw/zinc/65/72/14/1049657214.db2.gz IWRQGICDILTXAW-OUAUKWLOSA-N 0 0 318.244 4.165 20 10 DICDRN C[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774353368 1049657236 /nfs/dbraw/zinc/65/72/36/1049657236.db2.gz IWRQGICDILTXAW-GARJFASQSA-N 0 0 318.244 4.165 20 10 DICDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000775723971 1049666075 /nfs/dbraw/zinc/66/60/75/1049666075.db2.gz AZUVRTBLOMBWSI-INIZCTEOSA-N 0 0 316.832 4.122 20 10 DICDRN CC[C@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1ccc(C)cc1O ZINC000794796912 1049696678 /nfs/dbraw/zinc/69/66/78/1049696678.db2.gz YHPIHBDMDDRJPG-DLBZAZTESA-N 0 0 318.486 4.106 20 10 DICDRN CCOc1ccc(N(Cc2c(C)noc2CC)CC2CC2)cc1 ZINC001196953026 1049709005 /nfs/dbraw/zinc/70/90/05/1049709005.db2.gz QTXGOJBJQBMIPF-UHFFFAOYSA-N 0 0 314.429 4.361 20 10 DICDRN COc1ccc(N(c2ccc(N)cc2)c2ccccc2N)cc1 ZINC001206353314 1049719550 /nfs/dbraw/zinc/71/95/50/1049719550.db2.gz GKJJPHPJDVIURI-UHFFFAOYSA-N 0 0 305.381 4.329 20 10 DICDRN COc1ccc(C(=O)c2ccccc2Nc2ccccc2N)cc1 ZINC001206368827 1049722468 /nfs/dbraw/zinc/72/24/68/1049722468.db2.gz PKEKDMLHQVYKAA-UHFFFAOYSA-N 0 0 318.376 4.252 20 10 DICDRN CC(C)(C)NS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197148221 1049725224 /nfs/dbraw/zinc/72/52/24/1049725224.db2.gz KBIUNOIKDICWMR-ISLYRVAYSA-N 0 0 317.414 4.179 20 10 DICDRN CSc1cc(C)ccc1NC(=O)N[C@@H](C)c1ccccc1O ZINC001206427879 1049732738 /nfs/dbraw/zinc/73/27/38/1049732738.db2.gz UETRQJSHYZZURW-LBPRGKRZSA-N 0 0 316.426 4.305 20 10 DICDRN [O-]c1c(F)cccc1C[N@@H+]1CCCC[C@@H]1Cc1ccccc1F ZINC001206576278 1049761113 /nfs/dbraw/zinc/76/11/13/1049761113.db2.gz BJVMUATTWMVUNI-MRXNPFEDSA-N 0 0 317.379 4.268 20 10 DICDRN CCC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(Cl)c1[O-] ZINC001207129429 1049841537 /nfs/dbraw/zinc/84/15/37/1049841537.db2.gz NLHXOWKMMQAKBZ-UHFFFAOYSA-N 0 0 319.832 4.466 20 10 DICDRN CCc1ccc(NCc2cc(Br)cc(C)c2O)nc1 ZINC001207284715 1049874102 /nfs/dbraw/zinc/87/41/02/1049874102.db2.gz WBHWUFZPBXOXAO-UHFFFAOYSA-N 0 0 321.218 4.033 20 10 DICDRN COc1ccc(O)c(CNc2cc(C)ccc2Br)c1 ZINC000163716408 1049893549 /nfs/dbraw/zinc/89/35/49/1049893549.db2.gz AJVXDOWRDDOKBD-UHFFFAOYSA-N 0 0 322.202 4.084 20 10 DICDRN O=[N+]([O-])c1ccc(Cl)cc1NCc1cccc(Cl)c1O ZINC000164962417 1049896695 /nfs/dbraw/zinc/89/66/95/1049896695.db2.gz WGJSFLDYVRBCGT-UHFFFAOYSA-N 0 0 313.140 4.219 20 10 DICDRN Oc1c(F)cccc1CN[C@@H](c1cccc(Cl)c1)C(F)F ZINC001207553145 1049907897 /nfs/dbraw/zinc/90/78/97/1049907897.db2.gz HFLUSHCRBKGXQV-ZDUSSCGKSA-N 0 0 315.722 4.281 20 10 DICDRN CNC(=O)c1ccc(CSc2ncc(C(C)(C)C)s2)cc1 ZINC000164014287 1049914859 /nfs/dbraw/zinc/91/48/59/1049914859.db2.gz TXRLFTVGOMCUFW-UHFFFAOYSA-N 0 0 320.483 4.093 20 10 DICDRN C[C@H](COCC1CCCCC1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC001207621284 1049918487 /nfs/dbraw/zinc/91/84/87/1049918487.db2.gz DDYASZPHHSNXGM-CYBMUJFWSA-N 0 0 311.853 4.121 20 10 DICDRN O=C(Nc1cccc(N2CCCCC2)c1)c1ccc2cc[nH]c2c1 ZINC000055367835 1049926416 /nfs/dbraw/zinc/92/64/16/1049926416.db2.gz LAVBHNFQYZEYHH-UHFFFAOYSA-N 0 0 319.408 4.411 20 10 DICDRN CCc1cccc(CNc2nc3cc(F)ccc3n2CC)c1O ZINC001207876359 1049948330 /nfs/dbraw/zinc/94/83/30/1049948330.db2.gz RXQNEFUBEDZETB-UHFFFAOYSA-N 0 0 313.376 4.075 20 10 DICDRN C=Cc1ccccc1NC(=O)N(CCC)Cc1ccccc1O ZINC001208367430 1049991648 /nfs/dbraw/zinc/99/16/48/1049991648.db2.gz COFACCHLCJYYSO-UHFFFAOYSA-N 0 0 310.397 4.479 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C[N@@H+](C)Cc2ccc(C)nc2)cc1 ZINC001209519692 1050065722 /nfs/dbraw/zinc/06/57/22/1050065722.db2.gz 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ZINC000846164291 1050678362 /nfs/dbraw/zinc/67/83/62/1050678362.db2.gz UNUMTHLCDOMPFA-AWEZNQCLSA-N 0 0 315.413 4.499 20 10 DICDRN Cc1cc(CN(C)Cc2ccc(N3CCCCC3)cc2)sn1 ZINC000788443231 1050678455 /nfs/dbraw/zinc/67/84/55/1050678455.db2.gz OAHAIARCCFPTJO-UHFFFAOYSA-N 0 0 315.486 4.074 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)N(CC(C)C)C(C)C)cc1 ZINC000741402322 1050678968 /nfs/dbraw/zinc/67/89/68/1050678968.db2.gz ANVCWUBUNJQIEE-UHFFFAOYSA-N 0 0 319.493 4.109 20 10 DICDRN Cc1cc(C)c(Nc2ccccc2C(=O)c2ccncc2)cn1 ZINC001213520999 1050680058 /nfs/dbraw/zinc/68/00/58/1050680058.db2.gz OBYLJQIUQNJKKF-UHFFFAOYSA-N 0 0 303.365 4.068 20 10 DICDRN CN(C)c1ccc(CN(C)Cc2cc(F)c(F)cc2Cl)cc1 ZINC001144732540 1050686536 /nfs/dbraw/zinc/68/65/36/1050686536.db2.gz YZTBHWICSJZXJK-UHFFFAOYSA-N 0 0 324.802 4.316 20 10 DICDRN C[C@H]([NH2+]CC[C@]1(C)C[C@]1(F)Cl)c1ccc(Cl)cc1[O-] ZINC000846186587 1050688125 /nfs/dbraw/zinc/68/81/25/1050688125.db2.gz YHJKWDHXCNKPLC-CUOATXAZSA-N 0 0 306.208 4.401 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1cccc(Cl)c1[O-] ZINC000846186005 1050689338 /nfs/dbraw/zinc/68/93/38/1050689338.db2.gz CMINNANMVIMBLR-SJORKVTESA-N 0 0 323.864 4.292 20 10 DICDRN COc1cc(N[C@H](C)c2ccccc2O)cc(Cl)c1OC ZINC000846194861 1050692456 /nfs/dbraw/zinc/69/24/56/1050692456.db2.gz LSOUXMOXAYRIHZ-SNVBAGLBSA-N 0 0 307.777 4.236 20 10 DICDRN CC(C)COCCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788505011 1050694767 /nfs/dbraw/zinc/69/47/67/1050694767.db2.gz IMSWDNJTIOXPPC-GFCCVEGCSA-N 0 0 319.367 4.124 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])c1cccnc1 ZINC000788507309 1050694870 /nfs/dbraw/zinc/69/48/70/1050694870.db2.gz ZIFNUGDYVTZNFI-MNOVXSKESA-N 0 0 310.319 4.218 20 10 DICDRN Cc1csc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])n1 ZINC000788506838 1050695292 /nfs/dbraw/zinc/69/52/92/1050695292.db2.gz MJVJTFIENHFYOJ-SECBINFHSA-N 0 0 316.348 4.027 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000741530162 1050698069 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ZINC000792166623 1051123865 /nfs/dbraw/zinc/12/38/65/1051123865.db2.gz FBHPSEDNSWGJTQ-LLVKDONJSA-N 0 0 323.795 4.473 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1OC)c1ccc(F)cc1[O-] ZINC000796695874 1051132823 /nfs/dbraw/zinc/13/28/23/1051132823.db2.gz PZRGKPIQEFIGBW-MEDUHNTESA-N 0 0 321.367 4.481 20 10 DICDRN Oc1ccc(-c2nc(-c3ccc4sccc4c3)no2)cc1O ZINC001215304161 1051160755 /nfs/dbraw/zinc/16/07/55/1051160755.db2.gz GIYFWNUDSFNQPK-UHFFFAOYSA-N 0 0 310.334 4.030 20 10 DICDRN Cc1cc(-c2noc(-c3ccc(-n4cccc4)cc3)n2)cnc1C ZINC001215391424 1051184558 /nfs/dbraw/zinc/18/45/58/1051184558.db2.gz TYBMECNJEJVKOG-UHFFFAOYSA-N 0 0 316.364 4.206 20 10 DICDRN Cc1cc(C)c(-c2noc(-c3ccc(-n4cccc4)cc3)n2)cn1 ZINC001215391435 1051184569 /nfs/dbraw/zinc/18/45/69/1051184569.db2.gz UHEGHFWUEKCGGH-UHFFFAOYSA-N 0 0 316.364 4.206 20 10 DICDRN C[C@@H](NC(=O)c1cc2sccc2s1)c1ccccc1O ZINC001171722921 1051199491 /nfs/dbraw/zinc/19/94/91/1051199491.db2.gz GMWCTQMZTACGFO-SECBINFHSA-N 0 0 303.408 4.159 20 10 DICDRN CCCCc1ccc(CC(=O)N[C@H](C)c2ccccc2O)cc1 ZINC001171717527 1051200409 /nfs/dbraw/zinc/20/04/09/1051200409.db2.gz UTJBJFQAQWRVQG-OAHLLOKOSA-N 0 0 311.425 4.155 20 10 DICDRN Cc1cc(C(=O)N[C@H](C)c2ccccc2O)c2nccc(C)c2c1 ZINC001171722932 1051200832 /nfs/dbraw/zinc/20/08/32/1051200832.db2.gz GUAKGYMJBUKPOO-CQSZACIVSA-N 0 0 320.392 4.048 20 10 DICDRN C/C(=C/C(=O)N[C@H](C)c1ccccc1O)c1cccc(Cl)c1 ZINC001171722915 1051200848 /nfs/dbraw/zinc/20/08/48/1051200848.db2.gz GHDPQXHLDFTWAY-KXXVWKPMSA-N 0 0 315.800 4.326 20 10 DICDRN O=C(OCCSc1ccc(Cl)cc1)C1=CC(=O)CS1 ZINC000745002778 1051216584 /nfs/dbraw/zinc/21/65/84/1051216584.db2.gz QDXCTMTVDYICSI-UHFFFAOYSA-N 0 0 314.815 4.056 20 10 DICDRN COc1ccc(N(C)CCCc2ccc(C)nc2)cc1Cl ZINC000793061532 1051246782 /nfs/dbraw/zinc/24/67/82/1051246782.db2.gz FXIPHQDMBVBYQJ-UHFFFAOYSA-N 0 0 304.821 4.121 20 10 DICDRN C[C@@H](NC(=O)N(C)[C@@H]1CCC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000793165818 1051252955 /nfs/dbraw/zinc/25/29/55/1051252955.db2.gz CQAPZRIYMUEYIW-RHSMWYFYSA-N 0 0 317.477 4.034 20 10 DICDRN CCC[C@](C)(CC)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000793245246 1051273488 /nfs/dbraw/zinc/27/34/88/1051273488.db2.gz LELFVZRIUKPMFA-IBGZPJMESA-N 0 0 304.478 4.318 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000793306091 1051277027 /nfs/dbraw/zinc/27/70/27/1051277027.db2.gz VPZNFFDRVZXACN-MRXNPFEDSA-N 0 0 323.770 4.491 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000793309962 1051277574 /nfs/dbraw/zinc/27/75/74/1051277574.db2.gz VPZNFFDRVZXACN-INIZCTEOSA-N 0 0 323.770 4.491 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000793309119 1051278769 /nfs/dbraw/zinc/27/87/69/1051278769.db2.gz KXIIMXZUSFPBEI-INIZCTEOSA-N 0 0 305.780 4.352 20 10 DICDRN CC[C@@H](C)C[C@@H](C)NC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000745889698 1051291667 /nfs/dbraw/zinc/29/16/67/1051291667.db2.gz IWCORSYLYYENNT-HZPDHXFCSA-N 0 0 319.493 4.109 20 10 DICDRN CCOc1cccc(CNc2cc(OC)c(C)cc2C)c1O ZINC000793391465 1051295647 /nfs/dbraw/zinc/29/56/47/1051295647.db2.gz YNNPFJODOPDLBH-UHFFFAOYSA-N 0 0 301.386 4.028 20 10 DICDRN CCN(Cc1ncc(-c2ccccc2)o1)c1ccc(OC)cc1 ZINC000746108771 1051322673 /nfs/dbraw/zinc/32/26/73/1051322673.db2.gz BKVWFZZPDTWYES-UHFFFAOYSA-N 0 0 308.381 4.377 20 10 DICDRN CCOc1cc(NCc2cc(Cl)cc(OC)c2O)ccc1C ZINC000793609961 1051325261 /nfs/dbraw/zinc/32/52/61/1051325261.db2.gz NIHSCJCXKZBBBE-UHFFFAOYSA-N 0 0 321.804 4.373 20 10 DICDRN CCCOc1c(F)cc(F)c(Nc2cccc(O)c2O)c1F ZINC001212649187 1051330306 /nfs/dbraw/zinc/33/03/06/1051330306.db2.gz SSQGSYZISODYDC-UHFFFAOYSA-N 0 0 313.275 4.048 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCCC[C@H]1CC ZINC000793658330 1051332926 /nfs/dbraw/zinc/33/29/26/1051332926.db2.gz RXXMMDTUOZRBAE-WBVHZDCISA-N 0 0 303.446 4.347 20 10 DICDRN COc1cncc(Nc2ccc(Cc3ccc(N)cc3)cc2)c1C ZINC001215735372 1051334106 /nfs/dbraw/zinc/33/41/06/1051334106.db2.gz HYZSMJFDFQYGHM-UHFFFAOYSA-N 0 0 319.408 4.315 20 10 DICDRN COc1ccc(N(Cc2nc3ccccc3o2)CC(C)C)cc1 ZINC000746170755 1051334308 /nfs/dbraw/zinc/33/43/08/1051334308.db2.gz CDWKVOGMUIKCSR-UHFFFAOYSA-N 0 0 310.397 4.499 20 10 DICDRN COc1ccc(N(Cc2ccccc2)Cc2cc(C)ncn2)cc1 ZINC000794405176 1051373053 /nfs/dbraw/zinc/37/30/53/1051373053.db2.gz TVJMPBPTISPMIG-UHFFFAOYSA-N 0 0 319.408 4.000 20 10 DICDRN CCCCCC[C@@H](C)CC(=O)NCc1ccc(OC)cc1O ZINC000794380605 1051373461 /nfs/dbraw/zinc/37/34/61/1051373461.db2.gz FGFWIUNSRKJXAL-CQSZACIVSA-N 0 0 307.434 4.014 20 10 DICDRN COc1cnc(F)cc1N(c1ccccc1)c1ccc(N)cc1 ZINC001215808854 1051384649 /nfs/dbraw/zinc/38/46/49/1051384649.db2.gz ZCXVVEYJZAGCQW-UHFFFAOYSA-N 0 0 309.344 4.281 20 10 DICDRN CSCc1c2ccccc2oc1C(=O)Nc1ccc(N)cc1 ZINC000746479019 1051433900 /nfs/dbraw/zinc/43/39/00/1051433900.db2.gz HSVLQVYGOFFPBL-UHFFFAOYSA-N 0 0 312.394 4.130 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCCC2(F)F)cc1 ZINC001129586045 1051449472 /nfs/dbraw/zinc/44/94/72/1051449472.db2.gz YBARLEVWNMDIHW-MRXNPFEDSA-N 0 0 318.367 4.012 20 10 DICDRN CN(C)c1ccc2c(c1)OCCN2CC1CCC(C)(C)CC1 ZINC001168858665 1051452536 /nfs/dbraw/zinc/45/25/36/1051452536.db2.gz DZDSKQRUCJONMD-UHFFFAOYSA-N 0 0 302.462 4.168 20 10 DICDRN CC[C@@H]1CCCCN1C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000255939629 1051479558 /nfs/dbraw/zinc/47/95/58/1051479558.db2.gz MMYQFYHYJUYIDB-GOSISDBHSA-N 0 0 310.441 4.499 20 10 DICDRN Cc1cc(-c2noc(-c3nnsc3C3CC3)n2)ccc1Cl ZINC001212679594 1051493399 /nfs/dbraw/zinc/49/33/99/1051493399.db2.gz KSOGQGGIFPFEIA-UHFFFAOYSA-N 0 0 318.789 4.094 20 10 DICDRN Cc1cccc(-c2noc(-c3nnsc3C3CC3)n2)c1Cl ZINC001212679646 1051493415 /nfs/dbraw/zinc/49/34/15/1051493415.db2.gz NCKMHCQKDBSHFM-UHFFFAOYSA-N 0 0 318.789 4.094 20 10 DICDRN C[C@H](Nc1ccnc2cc(F)cnc21)c1ccc(N(C)C)cc1 ZINC000804621886 1051496317 /nfs/dbraw/zinc/49/63/17/1051496317.db2.gz JVOVCSIBKMNSIM-LBPRGKRZSA-N 0 0 310.376 4.008 20 10 DICDRN CC(C)c1snnc1-c1nc(-c2ccc(Cl)cc2F)no1 ZINC001212687329 1051532039 /nfs/dbraw/zinc/53/20/39/1051532039.db2.gz NJGGFWINFVQNLH-UHFFFAOYSA-N 0 0 324.768 4.171 20 10 DICDRN Cc1cc(Cl)ccc1-c1noc(-c2nnsc2C(C)C)n1 ZINC001212687075 1051532142 /nfs/dbraw/zinc/53/21/42/1051532142.db2.gz AHHZNFNUHVUTKV-UHFFFAOYSA-N 0 0 320.805 4.340 20 10 DICDRN CC(C)c1snnc1-c1nc(-c2cccc(Cl)c2)no1 ZINC001212687266 1051532622 /nfs/dbraw/zinc/53/26/22/1051532622.db2.gz KINFEENGMBFEQI-UHFFFAOYSA-N 0 0 306.778 4.032 20 10 DICDRN CC(C)Oc1ccc(N(C)C[C@@H](O)[C@H](C)c2ccccc2)cc1 ZINC001169253479 1051564213 /nfs/dbraw/zinc/56/42/13/1051564213.db2.gz UWDPKBHAIWXGFS-OXQOHEQNSA-N 0 0 313.441 4.075 20 10 DICDRN CCC(CC)[C@@H](C)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000761512975 1051584627 /nfs/dbraw/zinc/58/46/27/1051584627.db2.gz UPWWYIIWXSDBTR-OAHLLOKOSA-N 0 0 304.478 4.173 20 10 DICDRN Cc1cccnc1-c1noc(-c2ccc(-n3cccc3)c(F)c2)n1 ZINC000761576580 1051600201 /nfs/dbraw/zinc/60/02/01/1051600201.db2.gz RBLQBCNNFPHOHI-UHFFFAOYSA-N 0 0 320.327 4.037 20 10 DICDRN CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC001169542085 1051638329 /nfs/dbraw/zinc/63/83/29/1051638329.db2.gz YTQQEAUUHOQHGI-MLGOLLRUSA-N 0 0 309.837 4.307 20 10 DICDRN COc1ccc(Nc2ccccc2Cc2ccc(N)cc2)cc1N ZINC001216260988 1051662818 /nfs/dbraw/zinc/66/28/18/1051662818.db2.gz RTURXOFRNBGTDS-UHFFFAOYSA-N 0 0 319.408 4.194 20 10 DICDRN CN(C)c1ccc(CN2CCCc3cc(Cl)ccc32)cc1 ZINC001169655209 1051667897 /nfs/dbraw/zinc/66/78/97/1051667897.db2.gz ANMUWYVAGBWZOX-UHFFFAOYSA-N 0 0 300.833 4.359 20 10 DICDRN CC[C@@H]([NH2+]CCc1ccc(O)cc1)c1cccc(Cl)c1[O-] ZINC000806134414 1051735986 /nfs/dbraw/zinc/73/59/86/1051735986.db2.gz KQCYBADIQZXIBG-MRXNPFEDSA-N 0 0 305.805 4.035 20 10 DICDRN CC[C@H]([NH2+]C[C@@H](O)C1CCCCC1)c1cccc(Cl)c1[O-] ZINC000806137266 1051738173 /nfs/dbraw/zinc/73/81/73/1051738173.db2.gz MINFUZFUQJSLRJ-JKSUJKDBSA-N 0 0 311.853 4.028 20 10 DICDRN CC[C@H](C)[C@H](O)C[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806138888 1051738926 /nfs/dbraw/zinc/73/89/26/1051738926.db2.gz DKZAHDUUGRJAME-QCZZGDTMSA-N 0 0 320.260 4.147 20 10 DICDRN CC[C@@H]([NH2+]C[C@@](C)(O)C(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806139964 1051738961 /nfs/dbraw/zinc/73/89/61/1051738961.db2.gz SYJBIOCWELNTSR-UKRRQHHQSA-N 0 0 320.260 4.147 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)c1c(C)noc1C)c1cccc(Cl)c1[O-] ZINC000806139034 1051739446 /nfs/dbraw/zinc/73/94/46/1051739446.db2.gz HOHACWMMQPCDTJ-LKFCYVNXSA-N 0 0 308.809 4.452 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)Cc1ccc(O)cc1)c1cccc(Cl)c1[O-] ZINC000806138667 1051739487 /nfs/dbraw/zinc/73/94/87/1051739487.db2.gz ZBNBOBUWVRGQNS-SJKOYZFVSA-N 0 0 319.832 4.423 20 10 DICDRN CC[C@H]([NH2+]Cc1cc(C(C)C)no1)c1cccc(Cl)c1[O-] ZINC000806138749 1051739521 /nfs/dbraw/zinc/73/95/21/1051739521.db2.gz AVXIWWNFZHTPEU-AWEZNQCLSA-N 0 0 308.809 4.398 20 10 DICDRN Cc1cc(N(CCO)c2ccc(N)cc2)cc(Cl)c1Cl ZINC001216389755 1051741137 /nfs/dbraw/zinc/74/11/37/1051741137.db2.gz SNIFLMOLENYASD-UHFFFAOYSA-N 0 0 311.212 4.014 20 10 DICDRN CC[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806139515 1051742731 /nfs/dbraw/zinc/74/27/31/1051742731.db2.gz OXAJIRPPJWQIHG-UKRRQHHQSA-N 0 0 318.244 4.166 20 10 DICDRN CC[C@@H]([NH2+]CCc1nc(C)cs1)c1cccc(Cl)c1[O-] ZINC000806130741 1051744341 /nfs/dbraw/zinc/74/43/41/1051744341.db2.gz BRPDSMAPMCJIIB-CYBMUJFWSA-N 0 0 310.850 4.094 20 10 DICDRN CC[C@H]([NH2+]CCCCOC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806131822 1051744426 /nfs/dbraw/zinc/74/44/26/1051744426.db2.gz NOSKAMGDKVEBNB-ZDUSSCGKSA-N 0 0 306.233 4.166 20 10 DICDRN CC[C@@H]([NH2+]C[C@H](CC(C)C)N(C)C)c1cccc(Cl)c1[O-] ZINC000806129862 1051744804 /nfs/dbraw/zinc/74/48/04/1051744804.db2.gz LGJOGBVFIBYXNK-XJKSGUPXSA-N 0 0 312.885 4.063 20 10 DICDRN CC[C@H]([NH2+]CCOc1ccccc1F)c1cccc(Cl)c1[O-] ZINC000806128356 1051745083 /nfs/dbraw/zinc/74/50/83/1051745083.db2.gz JQLJFXONFKLOMR-HNNXBMFYSA-N 0 0 323.795 4.304 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H](CO)C(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000806169533 1051746105 /nfs/dbraw/zinc/74/61/05/1051746105.db2.gz MUKQFWDSKIUYLD-GXFFZTMASA-N 0 0 320.260 4.004 20 10 DICDRN CCC(C)(CC)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000767044781 1051747524 /nfs/dbraw/zinc/74/75/24/1051747524.db2.gz CBHNOHKKVXEKDG-UHFFFAOYSA-N 0 0 316.489 4.462 20 10 DICDRN CCC[C@](C)(O)C[NH2+][C@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806140184 1051747981 /nfs/dbraw/zinc/74/79/81/1051747981.db2.gz VSJPYNJJWRGAMC-HIFRSBDPSA-N 0 0 320.260 4.291 20 10 DICDRN CC[C@H]([NH2+]CCc1ccc(C)nc1)c1cccc(Cl)c1[O-] ZINC000806140382 1051748543 /nfs/dbraw/zinc/74/85/43/1051748543.db2.gz XLFMDXGOAHLDOC-INIZCTEOSA-N 0 0 304.821 4.032 20 10 DICDRN CC[C@@H]([NH2+]CC(C)(C)CCO)c1cc(Cl)cc(Cl)c1[O-] ZINC000806140769 1051749053 /nfs/dbraw/zinc/74/90/53/1051749053.db2.gz BPDTXTILADFIMP-CYBMUJFWSA-N 0 0 320.260 4.148 20 10 DICDRN CC[C@H]([NH2+]C[C@@]1(C)CCCC[C@H]1O)c1cccc(Cl)c1[O-] ZINC000806141271 1051749725 /nfs/dbraw/zinc/74/97/25/1051749725.db2.gz HLYLZGAENXYVEI-ZMSDIMECSA-N 0 0 311.853 4.028 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccn(C(C)C)n1)c1cccc(Cl)c1[O-] ZINC000806141575 1051749767 /nfs/dbraw/zinc/74/97/67/1051749767.db2.gz TWAROFBJGGPZTQ-OAHLLOKOSA-N 0 0 307.825 4.064 20 10 DICDRN CC[C@@H]([NH2+]C[C@H](CCO)CC(C)C)c1cccc(Cl)c1[O-] ZINC000806141987 1051750261 /nfs/dbraw/zinc/75/02/61/1051750261.db2.gz MZTFRAQTTUMJRH-CZUORRHYSA-N 0 0 313.869 4.131 20 10 DICDRN CC[C@H]([NH2+]Cc1ccnc(SC)c1)c1cccc(Cl)c1[O-] ZINC000806142860 1051750538 /nfs/dbraw/zinc/75/05/38/1051750538.db2.gz GTDLEDSALHQKJQ-AWEZNQCLSA-N 0 0 322.861 4.403 20 10 DICDRN CCc1noc(CC)c1C[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000806144806 1051751792 /nfs/dbraw/zinc/75/17/92/1051751792.db2.gz VRRFBDZXJVIDRY-CQSZACIVSA-N 0 0 322.836 4.399 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccccc1N(C)C)c1cccc(Cl)c1[O-] ZINC000806146083 1051751872 /nfs/dbraw/zinc/75/18/72/1051751872.db2.gz JPWBPVYEATWQHH-MRXNPFEDSA-N 0 0 318.848 4.353 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)C[C@@H](O)c1ccco1)c1cccc(Cl)c1[O-] ZINC000806143804 1051752244 /nfs/dbraw/zinc/75/22/44/1051752244.db2.gz QKROVSURWQNLMC-TUKIKUTGSA-N 0 0 323.820 4.192 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)Cc1ccncc1)c1cccc(Cl)c1[O-] ZINC000806143338 1051752637 /nfs/dbraw/zinc/75/26/37/1051752637.db2.gz UNSJHKNDOWMCGV-LRDDRELGSA-N 0 0 304.821 4.113 20 10 DICDRN CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cccc(Cl)c1[O-] ZINC000806150689 1051754618 /nfs/dbraw/zinc/75/46/18/1051754618.db2.gz XZPICDOMPDSZHN-UOJCXKCYSA-N 0 0 321.848 4.044 20 10 DICDRN C/C=C\C[C@H](CO)[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806157692 1051760782 /nfs/dbraw/zinc/76/07/82/1051760782.db2.gz AVDKQNJKYBJFSX-FRMUXSOBSA-N 0 0 318.244 4.067 20 10 DICDRN CC[C@@H](Nc1cnn(C)c1C1CC1)c1cccc(Cl)c1O ZINC000806159643 1051762542 /nfs/dbraw/zinc/76/25/42/1051762542.db2.gz LAWPXTBAKMVDOM-CYBMUJFWSA-N 0 0 305.809 4.220 20 10 DICDRN CC[C@@H]([NH2+]CCC[C@@H]1CCCCO1)c1cccc(Cl)c1[O-] ZINC000806160635 1051763844 /nfs/dbraw/zinc/76/38/44/1051763844.db2.gz UCBPOJFXGPITOV-XJKSGUPXSA-N 0 0 311.853 4.436 20 10 DICDRN CC[C@H]([NH2+]Cc1cc(F)ccc1OC)c1cccc(Cl)c1[O-] ZINC000806162201 1051765353 /nfs/dbraw/zinc/76/53/53/1051765353.db2.gz YJCLBYNJZDEYQK-HNNXBMFYSA-N 0 0 323.795 4.434 20 10 DICDRN CC[C@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1cccc(Cl)c1[O-] ZINC000806162349 1051765634 /nfs/dbraw/zinc/76/56/34/1051765634.db2.gz VHGUMXMMKQKEIF-PBHICJAKSA-N 0 0 322.880 4.103 20 10 DICDRN Nc1ccc(N(Cc2ccccc2)c2cc(F)cc(CO)c2)cc1 ZINC001212748770 1051767320 /nfs/dbraw/zinc/76/73/20/1051767320.db2.gz HHPCGHJANAVHRP-UHFFFAOYSA-N 0 0 322.383 4.239 20 10 DICDRN C[C@@H](N[C@H](C)C(F)(F)F)c1cc(Cl)c(Cl)cc1O ZINC000806660571 1051836613 /nfs/dbraw/zinc/83/66/13/1051836613.db2.gz HFTNKESXASHHMR-PHDIDXHHSA-N 0 0 302.123 4.300 20 10 DICDRN CC(=O)c1cc(Cl)cc(CN2CCc3cc(C)ccc32)c1O ZINC001169971671 1051837641 /nfs/dbraw/zinc/83/76/41/1051837641.db2.gz VKLHGCISINNBRF-UHFFFAOYSA-N 0 0 315.800 4.119 20 10 DICDRN CC(C)Oc1ncc(N(c2ccccc2)c2ccc(N)cc2)cn1 ZINC001216620947 1051841310 /nfs/dbraw/zinc/84/13/10/1051841310.db2.gz CIUTYSFPOYAHGY-UHFFFAOYSA-N 0 0 320.396 4.316 20 10 DICDRN CCN(C)c1ccc([C@H](C)N[C@H](C2CC2)C(F)(F)F)cc1 ZINC000806662227 1051843438 /nfs/dbraw/zinc/84/34/38/1051843438.db2.gz KQTGOIYDXYUPFE-XHDPSFHLSA-N 0 0 300.368 4.134 20 10 DICDRN CCOc1cccc(CN(C)Cc2c(F)cccc2Cl)c1O ZINC000768168213 1051891578 /nfs/dbraw/zinc/89/15/78/1051891578.db2.gz CHCZJZFLZKYAQG-UHFFFAOYSA-N 0 0 323.795 4.215 20 10 DICDRN C[C@@H](c1ccccc1)[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000768199469 1051894451 /nfs/dbraw/zinc/89/44/51/1051894451.db2.gz WAPFLHSJWBBPKQ-LBPRGKRZSA-N 0 0 320.230 4.348 20 10 DICDRN Nc1ccc(OCCCOc2ccc(Nc3ccoc3)cc2)cc1 ZINC001173935454 1051907313 /nfs/dbraw/zinc/90/73/13/1051907313.db2.gz SSJORYLMNGWOTQ-UHFFFAOYSA-N 0 0 324.380 4.453 20 10 DICDRN C[C@@H]([NH2+][C@H]1CCCc2sccc21)c1cc(F)cc(F)c1[O-] ZINC000768278792 1051916115 /nfs/dbraw/zinc/91/61/15/1051916115.db2.gz PXNSYFPCFYHXOT-OTYXRUKQSA-N 0 0 309.381 4.460 20 10 DICDRN CCc1ccc(-c2noc(-c3ccc(O)c(O)c3Cl)n2)cc1 ZINC001216952382 1051917045 /nfs/dbraw/zinc/91/70/45/1051917045.db2.gz XYZWEZABWMDQMD-UHFFFAOYSA-N 0 0 316.744 4.031 20 10 DICDRN C[C@]1(c2ccccc2)CCCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000807679085 1051919317 /nfs/dbraw/zinc/91/93/17/1051919317.db2.gz NCUUXTBCICPQSX-SFHVURJKSA-N 0 0 315.438 4.038 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000768362035 1051924652 /nfs/dbraw/zinc/92/46/52/1051924652.db2.gz YLAPBRAEYNOUSQ-OAHLLOKOSA-N 0 0 323.223 4.431 20 10 DICDRN Cc1cc(=O)[nH]c([C@@H](C)Sc2ncc(C(C)(C)C)s2)n1 ZINC000768399990 1051926123 /nfs/dbraw/zinc/92/61/23/1051926123.db2.gz HENVXKUVUPWVLR-SECBINFHSA-N 0 0 309.460 4.098 20 10 DICDRN CCN(Cc1cc(OC)c(C)cc1O)Cc1c(F)cccc1F ZINC000768445713 1051932424 /nfs/dbraw/zinc/93/24/24/1051932424.db2.gz TWRKXKKIENLHCL-UHFFFAOYSA-N 0 0 321.367 4.010 20 10 DICDRN Oc1ccc(CNc2cc(F)c(C(F)(F)F)c(F)c2)cc1O ZINC001169993602 1051938357 /nfs/dbraw/zinc/93/83/57/1051938357.db2.gz WMWGBUCGWDQFGI-UHFFFAOYSA-N 0 0 319.229 4.007 20 10 DICDRN Oc1cc(C(F)(F)F)ccc1Nc1ccnc2ccccc21 ZINC001174040164 1051961642 /nfs/dbraw/zinc/96/16/42/1051961642.db2.gz VLUXNKONDQCWEB-UHFFFAOYSA-N 0 0 304.271 4.125 20 10 DICDRN COc1ncccc1N(Cc1ccccc1)c1ccc(N)cc1 ZINC001174044054 1051963588 /nfs/dbraw/zinc/96/35/88/1051963588.db2.gz ZYGVMBOYAGYYFQ-UHFFFAOYSA-N 0 0 305.381 4.011 20 10 DICDRN C[C@H]1CCC[C@@H]1CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000768982807 1051987101 /nfs/dbraw/zinc/98/71/01/1051987101.db2.gz GLMFJJZCTHIOMH-FUHWJXTLSA-N 0 0 314.473 4.119 20 10 DICDRN CC[C@@H]([NH2+]C[C@]1(C)CCCO1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806144213 1051993044 /nfs/dbraw/zinc/99/30/44/1051993044.db2.gz PHMCIIMJZBHWDM-HIFRSBDPSA-N 0 0 318.244 4.309 20 10 DICDRN Cc1occc1C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769058004 1051996164 /nfs/dbraw/zinc/99/61/64/1051996164.db2.gz ILPGFJOLEIQPAL-UHFFFAOYSA-N 0 0 300.185 4.232 20 10 DICDRN C[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@H](c2ccccc2)O1 ZINC000769106569 1051996408 /nfs/dbraw/zinc/99/64/08/1051996408.db2.gz RHHROUPBRVTKFT-FZKQIMNGSA-N 0 0 317.816 4.008 20 10 DICDRN FC(F)(F)[C@@H](NCc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000808438732 1052020426 /nfs/dbraw/zinc/02/04/26/1052020426.db2.gz MAZJLDDJPLZIAS-INIZCTEOSA-N 0 0 312.379 4.107 20 10 DICDRN Cc1ccc(O)c(CN(C)[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000769320901 1052024031 /nfs/dbraw/zinc/02/40/31/1052024031.db2.gz ZUKJNCJBQFIIEA-MRXNPFEDSA-N 0 0 309.331 4.436 20 10 DICDRN Cc1ccccc1N(C)C(=O)/C=C/c1cnc(C(C)(C)C)s1 ZINC001131330791 1052036411 /nfs/dbraw/zinc/03/64/11/1052036411.db2.gz SVWPWEZFYWANBS-ZHACJKMWSA-N 0 0 314.454 4.425 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)Cc2ccsc2)cc1 ZINC000744413409 1052039815 /nfs/dbraw/zinc/03/98/15/1052039815.db2.gz YEHKMUMJTHSJST-UHFFFAOYSA-N 0 0 324.449 4.428 20 10 DICDRN CC(=O)N1CCc2c1cccc2N[C@@H](C)c1ccc(C)c(C)c1O ZINC000769420589 1052043460 /nfs/dbraw/zinc/04/34/60/1052043460.db2.gz ZRSHBROJCBBZNR-AWEZNQCLSA-N 0 0 324.424 4.091 20 10 DICDRN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1csc(C(C)C)n1 ZINC000769417597 1052043831 /nfs/dbraw/zinc/04/38/31/1052043831.db2.gz SQJHPVPCLDVKER-AWEZNQCLSA-N 0 0 317.502 4.492 20 10 DICDRN COc1ccc(C(=O)c2ccccc2Nc2c(C)n[nH]c2C)cc1 ZINC001174215889 1052054027 /nfs/dbraw/zinc/05/40/27/1052054027.db2.gz SODQQYIQYOHEBH-UHFFFAOYSA-N 0 0 321.380 4.010 20 10 DICDRN CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCS1 ZINC000769446290 1052054362 /nfs/dbraw/zinc/05/43/62/1052054362.db2.gz MCWGHDZMWSRHMN-LLVKDONJSA-N 0 0 306.258 4.026 20 10 DICDRN C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769445679 1052054962 /nfs/dbraw/zinc/05/49/62/1052054962.db2.gz KIOYBGGOUDJIEG-BDAKNGLRSA-N 0 0 306.258 4.025 20 10 DICDRN CCCn1cc(Nc2ccc(CCc3ccc(N)cc3)cc2)cn1 ZINC001174219213 1052056014 /nfs/dbraw/zinc/05/60/14/1052056014.db2.gz IBXWWPMHROFLEH-UHFFFAOYSA-N 0 0 320.440 4.404 20 10 DICDRN CCCCCC[C@](C)(CC)C(=O)NCc1cccc(OC)c1O ZINC000769503563 1052069394 /nfs/dbraw/zinc/06/93/94/1052069394.db2.gz MNPOYFGGRXKNPZ-IBGZPJMESA-N 0 0 321.461 4.404 20 10 DICDRN CCC[C@H](CC1CCCC1)C(=O)NCc1cccc(OC)c1O ZINC000769508001 1052071123 /nfs/dbraw/zinc/07/11/23/1052071123.db2.gz LCSTYHQZTAYZGX-OAHLLOKOSA-N 0 0 319.445 4.014 20 10 DICDRN CC(=O)Nc1cccc(N[C@H](C)c2cc(Cl)cc(C)c2O)c1 ZINC000808710016 1052071200 /nfs/dbraw/zinc/07/12/00/1052071200.db2.gz KTPFTEGETOMYLC-LLVKDONJSA-N 0 0 318.804 4.486 20 10 DICDRN Oc1ccc(Cl)cc1CN1CCc2c3ccccc3[nH]c2C1 ZINC000769512992 1052072695 /nfs/dbraw/zinc/07/26/95/1052072695.db2.gz VPBDCAIXAJKKPG-UHFFFAOYSA-N 0 0 312.800 4.085 20 10 DICDRN CC[C@H]([NH2+][C@H](C)[C@@H](O)c1ccccc1)c1cccc(Cl)c1[O-] ZINC000808720404 1052077658 /nfs/dbraw/zinc/07/76/58/1052077658.db2.gz UUTIMMAYTMYFBJ-OAUYIBNBSA-N 0 0 319.832 4.208 20 10 DICDRN COc1cccc(O)c1CNc1cccc(C)c1Br ZINC000769554644 1052083137 /nfs/dbraw/zinc/08/31/37/1052083137.db2.gz AQVVRFWOOJCMEM-UHFFFAOYSA-N 0 0 322.202 4.084 20 10 DICDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000769560539 1052083380 /nfs/dbraw/zinc/08/33/80/1052083380.db2.gz VQOPMMKTRORAJH-NSHDSACASA-N 0 0 323.770 4.313 20 10 DICDRN COc1cc2c(cc1NC[C@H]1CCCOC1)oc1ccccc12 ZINC000769851956 1052118911 /nfs/dbraw/zinc/11/89/11/1052118911.db2.gz QLMOKUQGCMHNGA-CYBMUJFWSA-N 0 0 311.381 4.433 20 10 DICDRN Cc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000914506389 1052124612 /nfs/dbraw/zinc/12/46/12/1052124612.db2.gz KMDBWIAOTFCUDZ-UHFFFAOYSA-N 0 0 310.441 4.112 20 10 DICDRN Cc1cc(C)cc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000914506184 1052125166 /nfs/dbraw/zinc/12/51/66/1052125166.db2.gz ISKZIMHZJSUBKG-UHFFFAOYSA-N 0 0 324.468 4.420 20 10 DICDRN N[C@@H](CC1CCCC1)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217727424 1052126165 /nfs/dbraw/zinc/12/61/65/1052126165.db2.gz GBQGRNTZFKFQGJ-KRWDZBQOSA-N 0 0 322.412 4.107 20 10 DICDRN CCCCC[C@H](N)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217754700 1052132696 /nfs/dbraw/zinc/13/26/96/1052132696.db2.gz MMMNCYIXZPHDQR-INIZCTEOSA-N 0 0 310.401 4.107 20 10 DICDRN C[C@@H](Nc1cnn(C)c1C1CC1)c1cc2c(cc1O)CCCC2 ZINC000769989147 1052137637 /nfs/dbraw/zinc/13/76/37/1052137637.db2.gz MXIKWHUZGXLJLY-GFCCVEGCSA-N 0 0 311.429 4.055 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCCc2ccccc21 ZINC000761750434 1052144756 /nfs/dbraw/zinc/14/47/56/1052144756.db2.gz REVCMIOZSVQIIY-IBGZPJMESA-N 0 0 323.436 4.251 20 10 DICDRN CC(C)C(=O)OCC(C)(C)[C@@H](OCc1ccc(N)cc1)C(C)C ZINC001217875635 1052160061 /nfs/dbraw/zinc/16/00/61/1052160061.db2.gz COZGTCSUAUWPGF-KRWDZBQOSA-N 0 0 321.461 4.035 20 10 DICDRN Nc1ccc(CO[C@H]2CCc3c2cccc3Br)cc1 ZINC001217886105 1052163053 /nfs/dbraw/zinc/16/30/53/1052163053.db2.gz QPJAOAOJSXVMTE-INIZCTEOSA-N 0 0 318.214 4.235 20 10 DICDRN Nc1ccc(Cc2ccc(Nc3ccnc4[nH]ccc43)cc2)cc1 ZINC001174413519 1052166871 /nfs/dbraw/zinc/16/68/71/1052166871.db2.gz NJIUKCFOERHLDM-UHFFFAOYSA-N 0 0 314.392 4.431 20 10 DICDRN Nc1ccc(N(c2ccc(N)cc2)c2ccc(N)cc2F)cc1 ZINC001174483563 1052168845 /nfs/dbraw/zinc/16/88/45/1052168845.db2.gz SHMJPHIKPRDYPA-UHFFFAOYSA-N 0 0 308.360 4.042 20 10 DICDRN Nc1ccc(O[C@@H]2CCc3cc(Br)ccc32)cc1 ZINC001217957804 1052177891 /nfs/dbraw/zinc/17/78/91/1052177891.db2.gz CIERLJLBERSIJP-OAHLLOKOSA-N 0 0 304.187 4.098 20 10 DICDRN Cc1sccc1-n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001174458903 1052179602 /nfs/dbraw/zinc/17/96/02/1052179602.db2.gz SGBBHZMFLYCRTN-KQHBBDLCSA-N 0 0 309.398 4.324 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)NCC1(CC)CCCC1 ZINC000761778023 1052181253 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CCCOc1ccccc1NCc1nc(-c2ccccc2)c[nH]1 ZINC001320867279 1053368532 /nfs/dbraw/zinc/36/85/32/1053368532.db2.gz YJQZMHGLYVUSDQ-UHFFFAOYSA-N 0 0 307.397 4.478 20 10 DICDRN C[C@H]([NH2+]CCC1CCOCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC001320880907 1053371867 /nfs/dbraw/zinc/37/18/67/1053371867.db2.gz RPUXLMIROJYMNC-JTQLQIEISA-N 0 0 318.244 4.166 20 10 DICDRN Oc1ccc(Cl)c(F)c1CNc1ccn(C2CCCCC2)n1 ZINC001320934535 1053376501 /nfs/dbraw/zinc/37/65/01/1053376501.db2.gz DSMHSQKOUBYNKD-UHFFFAOYSA-N 0 0 323.799 4.499 20 10 DICDRN Cc1cc(Cl)nc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)c1 ZINC001321240437 1053403482 /nfs/dbraw/zinc/40/34/82/1053403482.db2.gz UPZBSDKJPAOTAN-TZMCWYRMSA-N 0 0 316.832 4.396 20 10 DICDRN [O-]c1ccc(Cl)c(Cl)c1C[NH+]1CCC2(CC(F)C2)CC1 ZINC001237077491 1053425593 /nfs/dbraw/zinc/42/55/93/1053425593.db2.gz INMDEXWUOFOZIB-UHFFFAOYSA-N 0 0 318.219 4.413 20 10 DICDRN OCCCSc1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000130969788 1053433095 /nfs/dbraw/zinc/43/30/95/1053433095.db2.gz FPGRLBDEDGEZCV-UHFFFAOYSA-N 0 0 323.845 4.132 20 10 DICDRN Cc1cc(C(=O)NC2(C)CC2)c(C)n1-c1cccc(Cl)c1 ZINC001321927479 1053442025 /nfs/dbraw/zinc/44/20/25/1053442025.db2.gz DMNHTXJAOVIXQS-UHFFFAOYSA-N 0 0 302.805 4.030 20 10 DICDRN COc1cccc(N(CC(C)C)C(=O)/C=C/c2cncc(C)c2)c1 ZINC001353013095 1053457330 /nfs/dbraw/zinc/45/73/30/1053457330.db2.gz IUPRHNOXYNWSPE-CMDGGOBGSA-N 0 0 324.424 4.101 20 10 DICDRN Cc1cc(-c2nnc(-c3cc(C)n(-c4ccccc4)c3C)o2)on1 ZINC001322201093 1053467936 /nfs/dbraw/zinc/46/79/36/1053467936.db2.gz YFZPSDFCJGDWRV-UHFFFAOYSA-N 0 0 320.352 4.108 20 10 DICDRN CCC[C@@H]1CCCC[C@H]1CNC(=O)NCc1cc(C)ccc1O ZINC001230098118 1053478384 /nfs/dbraw/zinc/47/83/84/1053478384.db2.gz TVMLDXAIMAFHSX-CVEARBPZSA-N 0 0 318.461 4.106 20 10 DICDRN CCCn1cc(N[C@H](C)c2ccc(N3CCCCC3)cc2)cn1 ZINC000182586074 1053483239 /nfs/dbraw/zinc/48/32/39/1053483239.db2.gz VSCVDUQPKYKBPC-MRXNPFEDSA-N 0 0 312.461 4.457 20 10 DICDRN CCCCNC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC001353150619 1053489653 /nfs/dbraw/zinc/48/96/53/1053489653.db2.gz UZKJZIRZQUEQNP-UHFFFAOYSA-N 0 0 318.848 4.206 20 10 DICDRN Cc1cccc(N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000182651677 1053493007 /nfs/dbraw/zinc/49/30/07/1053493007.db2.gz NDBZBATZHDVZFL-HNNXBMFYSA-N 0 0 314.404 4.144 20 10 DICDRN Cc1ccc(N(C)C(=O)/C=C/c2cccnc2C)cc1Cl ZINC001353173424 1053496690 /nfs/dbraw/zinc/49/66/90/1053496690.db2.gz RMYCLPQJPCEZJA-VQHVLOKHSA-N 0 0 300.789 4.028 20 10 DICDRN CC[C@@H]([NH2+]CCCOCc1ccccc1)c1ccc(F)cc1[O-] ZINC001322444647 1053504126 /nfs/dbraw/zinc/50/41/26/1053504126.db2.gz GFUQQXZLAQFXPY-GOSISDBHSA-N 0 0 317.404 4.179 20 10 DICDRN Cc1cc(-c2nnc(COC(C)C)o2)c(C)n1-c1ccccc1 ZINC001322659535 1053534003 /nfs/dbraw/zinc/53/40/03/1053534003.db2.gz BBPQCHMSXWKJCU-UHFFFAOYSA-N 0 0 311.385 4.069 20 10 DICDRN Cc1cc(-c2nnc(COCC3CC3)o2)c(C)n1-c1ccccc1 ZINC001322722235 1053538703 /nfs/dbraw/zinc/53/87/03/1053538703.db2.gz YJOCNLCHVJBJTG-UHFFFAOYSA-N 0 0 323.396 4.071 20 10 DICDRN CC[C@H](F)C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC001353630059 1053629743 /nfs/dbraw/zinc/62/97/43/1053629743.db2.gz VQXQBWYGINNFLH-YOEHRIQHSA-N 0 0 315.388 4.230 20 10 DICDRN Cc1cccc(C(C)C)c1NC(=S)NCc1ccc(F)cn1 ZINC001200408186 1053640105 /nfs/dbraw/zinc/64/01/05/1053640105.db2.gz DSSPSDCLLCULPS-UHFFFAOYSA-N 0 0 317.433 4.139 20 10 DICDRN COc1ccc2cc(C[NH2+][C@H](C)c3ccccc3O)ccc2c1 ZINC000183393934 1053647677 /nfs/dbraw/zinc/64/76/77/1053647677.db2.gz NLCXPVJEAFMNFW-CQSZACIVSA-N 0 0 307.393 4.405 20 10 DICDRN COc1ccc2cc(C[NH2+][C@@H](C)c3ccccc3O)ccc2c1 ZINC000183393918 1053648254 /nfs/dbraw/zinc/64/82/54/1053648254.db2.gz NLCXPVJEAFMNFW-AWEZNQCLSA-N 0 0 307.393 4.405 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccccc2F)cc1 ZINC001353846640 1053684135 /nfs/dbraw/zinc/68/41/35/1053684135.db2.gz BREXDRPOBYRYGB-UHFFFAOYSA-N 0 0 322.383 4.163 20 10 DICDRN C[C@@H](NC(=O)Nc1ccc2cc[nH]c2c1)c1ccc(N(C)C)cc1 ZINC001324873975 1053684769 /nfs/dbraw/zinc/68/47/69/1053684769.db2.gz QUMCTDMOXAAIQW-CYBMUJFWSA-N 0 0 322.412 4.117 20 10 DICDRN CC(=O)N1Cc2ccc(N[C@H](C)c3c(C)cc(C)cc3O)cc2C1 ZINC001324965969 1053691915 /nfs/dbraw/zinc/69/19/15/1053691915.db2.gz VIELNIIUJPIKDV-CQSZACIVSA-N 0 0 324.424 4.044 20 10 DICDRN O=[N+]([O-])c1ccc(/N=N/c2ccc(O[C@@H]3CCOC3)cc2)cc1 ZINC001231296761 1053722094 /nfs/dbraw/zinc/72/20/94/1053722094.db2.gz HWJKLRKHYSEZPC-JHHGQVAESA-N 0 0 313.313 4.178 20 10 DICDRN O=C1C=CC(=NNc2ccc(O[C@@H]3CCOC[C@@H]3F)cc2)C=C1 ZINC001231319307 1053726909 /nfs/dbraw/zinc/72/69/09/1053726909.db2.gz IABOMLHEBDWGNB-DLBZAZTESA-N 0 0 316.332 4.313 20 10 DICDRN CC(=O)N1CC(Oc2ccc(C)cc2/N=N/c2ccccc2)C1 ZINC001231327204 1053728015 /nfs/dbraw/zinc/72/80/15/1053728015.db2.gz OSNKISCYAZNFNH-FMQUCBEESA-N 0 0 309.369 4.020 20 10 DICDRN Cc1cccc2oc(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cc21 ZINC001435954130 1053735422 /nfs/dbraw/zinc/73/54/22/1053735422.db2.gz QWQZOQLWKSBRME-AWEZNQCLSA-N 0 0 322.408 4.298 20 10 DICDRN C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC001435952953 1053736142 /nfs/dbraw/zinc/73/61/42/1053736142.db2.gz DCCDUHNXQIYWDH-GDIGMMSISA-N 0 0 314.473 4.146 20 10 DICDRN C[C@@H](NC(=O)c1ccccc1C1(C)CC1)c1ccc(N(C)C)cc1 ZINC001435953291 1053736197 /nfs/dbraw/zinc/73/61/97/1053736197.db2.gz GOIQALJBBHHOOO-OAHLLOKOSA-N 0 0 322.452 4.295 20 10 DICDRN Cc1cc(C)cc(CCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC001435953544 1053736285 /nfs/dbraw/zinc/73/62/85/1053736285.db2.gz HIRWVRBLAGKKKT-KRWDZBQOSA-N 0 0 324.468 4.179 20 10 DICDRN Cc1c(N[C@@H](C)c2ccccc2O)cnn1-c1ccccc1F ZINC000183713249 1053737751 /nfs/dbraw/zinc/73/77/51/1053737751.db2.gz CVZMTCUSCXJPLE-LBPRGKRZSA-N 0 0 311.360 4.199 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@@H](F)C1 ZINC001325852891 1053738267 /nfs/dbraw/zinc/73/82/67/1053738267.db2.gz CPUNCQKZDBTQRR-GDBMZVCRSA-N 0 0 307.409 4.049 20 10 DICDRN COc1cc(F)c(F)cc1NCc1ccc(N2CCCC2)cc1 ZINC001325877390 1053739704 /nfs/dbraw/zinc/73/97/04/1053739704.db2.gz DEKKNPMMBMUNNR-UHFFFAOYSA-N 0 0 318.367 4.186 20 10 DICDRN CC(C)(C)[C@@H]1CN(C(=O)/C=C/c2cncc(F)c2)c2ccccc21 ZINC001436083175 1053772318 /nfs/dbraw/zinc/77/23/18/1053772318.db2.gz FJDICMBIDZIHJL-KBOKABMXSA-N 0 0 324.399 4.410 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC2(CC(F)(F)C2)CC1 ZINC001237616261 1053783315 /nfs/dbraw/zinc/78/33/15/1053783315.db2.gz AAYORHWRTBVCMA-UHFFFAOYSA-N 0 0 319.754 4.196 20 10 DICDRN CC[C@H]1CCCC[C@@H]1C(=O)Nc1c2nonc2ccc1Cl ZINC001436138395 1053789696 /nfs/dbraw/zinc/78/96/96/1053789696.db2.gz PXCBDHPPCPFFCQ-UWVGGRQHSA-N 0 0 307.781 4.031 20 10 DICDRN Oc1ccc2ccccc2c1CN1Cc2cnc(Cl)cc2C1 ZINC001231589411 1053792232 /nfs/dbraw/zinc/79/22/32/1053792232.db2.gz HWYVUTLZKPMMNU-UHFFFAOYSA-N 0 0 310.784 4.110 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)/C(C)=C/c1ccncc1 ZINC000848046299 1053815839 /nfs/dbraw/zinc/81/58/39/1053815839.db2.gz RSWISIIUKOZQQS-JQIJEIRASA-N 0 0 324.424 4.019 20 10 DICDRN Cc1ccccc1NC(=[NH2+])NCc1cc(Cl)cc(Cl)c1[O-] ZINC001327264538 1053844842 /nfs/dbraw/zinc/84/48/42/1053844842.db2.gz OHOOIVZMQRMIDR-UHFFFAOYSA-N 0 0 324.211 4.144 20 10 DICDRN C[C@H]([NH2+][C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1ccc(Cl)cc1[O-] ZINC001327269697 1053847451 /nfs/dbraw/zinc/84/74/51/1053847451.db2.gz ZYLXNALRNXSEBW-YPWHJJHSSA-N 0 0 301.764 4.130 20 10 DICDRN Cc1ccncc1/C=C/C(=O)N1CC[C@H](C)c2cccc(C)c21 ZINC001436458412 1053869809 /nfs/dbraw/zinc/86/98/09/1053869809.db2.gz DWFRCSYXUHFNET-KIUWMYQTSA-N 0 0 306.409 4.252 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C)cc1C ZINC000071809077 1053877820 /nfs/dbraw/zinc/87/78/20/1053877820.db2.gz YZQBNQPJGRUXPF-UHFFFAOYSA-N 0 0 310.441 4.032 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCC1CCCC1 ZINC000071809073 1053878700 /nfs/dbraw/zinc/87/87/00/1053878700.db2.gz QDEUIMWMQKGIIE-UHFFFAOYSA-N 0 0 302.462 4.072 20 10 DICDRN Cc1cc(O)c(CN(C)Cc2cnc(Cl)s2)cc1Cl ZINC001231866742 1053893510 /nfs/dbraw/zinc/89/35/10/1053893510.db2.gz CMGAUYNALKYSQV-UHFFFAOYSA-N 0 0 317.241 4.096 20 10 DICDRN Cc1cc(O)c(CN2CCCC[C@H]2C(F)(F)F)cc1Cl ZINC001231870728 1053898396 /nfs/dbraw/zinc/89/83/96/1053898396.db2.gz QOZMFNYFWGWFKM-ZDUSSCGKSA-N 0 0 307.743 4.271 20 10 DICDRN Cc1cc(O)c(CN2CCC[C@H]2c2nccs2)cc1Cl ZINC001231870317 1053899166 /nfs/dbraw/zinc/89/91/66/1053899166.db2.gz UAUJXCAYNFNTJV-ZDUSSCGKSA-N 0 0 308.834 4.148 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCC3(CC3)C2)cc1 ZINC001354540630 1053901437 /nfs/dbraw/zinc/90/14/37/1053901437.db2.gz HCLNYCSEUOHGDV-QGZVFWFLSA-N 0 0 314.473 4.119 20 10 DICDRN CCCCC1(C(=O)NCc2ccc(N(CC)CC)cc2)CC1 ZINC001354542732 1053901580 /nfs/dbraw/zinc/90/15/80/1053901580.db2.gz ZYZTUWYGXYBRFQ-UHFFFAOYSA-N 0 0 302.462 4.119 20 10 DICDRN Oc1c(CN2CCCC[C@@H]2C(F)(F)F)ccc2ccccc21 ZINC001231880624 1053905034 /nfs/dbraw/zinc/90/50/34/1053905034.db2.gz AEURHCULIBVFJN-OAHLLOKOSA-N 0 0 309.331 4.462 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH+]1CCC(c2cccs2)CC1 ZINC001231911776 1053914147 /nfs/dbraw/zinc/91/41/47/1053914147.db2.gz MIKKGOQZGDGILQ-UHFFFAOYSA-N 0 0 307.846 4.487 20 10 DICDRN COc1cccc([C@@H]2CC[N@H+](Cc3cccc(Cl)c3[O-])C2)c1 ZINC001231914449 1053916236 /nfs/dbraw/zinc/91/62/36/1053916236.db2.gz LLPTXDXQKWPLJC-CQSZACIVSA-N 0 0 317.816 4.044 20 10 DICDRN Cc1ccccc1O[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001231911485 1053916343 /nfs/dbraw/zinc/91/63/43/1053916343.db2.gz HFOMBCKNPMVOGH-HNNXBMFYSA-N 0 0 317.816 4.007 20 10 DICDRN COc1ccccc1[C@H](C)[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC001231912559 1053916708 /nfs/dbraw/zinc/91/67/08/1053916708.db2.gz NMPRYMMFISDMRL-LBPRGKRZSA-N 0 0 305.805 4.247 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH+]1CCC(c2cccc(O)c2)CC1 ZINC001231914278 1053917614 /nfs/dbraw/zinc/91/76/14/1053917614.db2.gz KNDGWIDFPSCFEV-UHFFFAOYSA-N 0 0 317.816 4.131 20 10 DICDRN CC1(C)CC(Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)C1 ZINC001472837063 1053967465 /nfs/dbraw/zinc/96/74/65/1053967465.db2.gz NENOYTPTEASALQ-UHFFFAOYSA-N 0 0 324.380 4.426 20 10 DICDRN COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2ccccc2)cc1Cl ZINC001232265256 1054006448 /nfs/dbraw/zinc/00/64/48/1054006448.db2.gz RXBSTXAMULKAFY-INIZCTEOSA-N 0 0 317.816 4.391 20 10 DICDRN COc1cc(O)c(C[N@H+](C)CCc2ccc(C)cc2)cc1Cl ZINC001232269615 1054009732 /nfs/dbraw/zinc/00/97/32/1054009732.db2.gz HAKRDFJSVIKDMR-UHFFFAOYSA-N 0 0 319.832 4.037 20 10 DICDRN CCCC(CCC)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC001355014612 1054031156 /nfs/dbraw/zinc/03/11/56/1054031156.db2.gz BTDMXTXBVMBJGK-UHFFFAOYSA-N 0 0 304.478 4.365 20 10 DICDRN COc1cccc(C)c1C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001232628056 1054088842 /nfs/dbraw/zinc/08/88/42/1054088842.db2.gz SOKIDGVIFJGWGQ-UHFFFAOYSA-N 0 0 324.468 4.236 20 10 DICDRN Cc1cc(-c2nnc([C@H]3CCCO3)o2)c(C)n1-c1cccc(C)c1 ZINC001331941982 1054101357 /nfs/dbraw/zinc/10/13/57/1054101357.db2.gz PDYGNCYSQACRIY-QGZVFWFLSA-N 0 0 323.396 4.304 20 10 DICDRN CCC[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848513930 1054122711 /nfs/dbraw/zinc/12/27/11/1054122711.db2.gz IYNPAGRXMGCUBZ-UWVGGRQHSA-N 0 0 316.239 4.003 20 10 DICDRN CCC[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848513931 1054122740 /nfs/dbraw/zinc/12/27/40/1054122740.db2.gz IYNPAGRXMGCUBZ-VHSXEESVSA-N 0 0 316.239 4.003 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)Cc1ccccn1)c1cccc(Cl)c1[O-] ZINC000848564478 1054151045 /nfs/dbraw/zinc/15/10/45/1054151045.db2.gz GSYLPPVWEZWOEB-BLLLJJGKSA-N 0 0 304.821 4.113 20 10 DICDRN Cc1coc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)c1C ZINC001438298504 1054163834 /nfs/dbraw/zinc/16/38/34/1054163834.db2.gz FENRDWMQBIKYAS-UHFFFAOYSA-N 0 0 322.408 4.234 20 10 DICDRN Cc1cc(CNC(=O)[C@@H](C)C2CCC2)c(C)n1-c1cccc(C)c1 ZINC001438301431 1054164324 /nfs/dbraw/zinc/16/43/24/1054164324.db2.gz KVFKGYYTFBBYIK-INIZCTEOSA-N 0 0 324.468 4.455 20 10 DICDRN [O-]c1c(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)ccc(F)c1F ZINC001233078401 1054182345 /nfs/dbraw/zinc/18/23/45/1054182345.db2.gz UUJQTHJZWKJDTH-OAHLLOKOSA-N 0 0 317.379 4.440 20 10 DICDRN Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(F)c(F)c2[O-])cc1 ZINC001233077640 1054182492 /nfs/dbraw/zinc/18/24/92/1054182492.db2.gz UYAKCBJKWLIXNO-MRXNPFEDSA-N 0 0 303.352 4.316 20 10 DICDRN Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(F)c(F)c2[O-])cc1 ZINC001233077639 1054183162 /nfs/dbraw/zinc/18/31/62/1054183162.db2.gz UYAKCBJKWLIXNO-INIZCTEOSA-N 0 0 303.352 4.316 20 10 DICDRN C/C(=C\c1cccnc1)C(=O)N1CC(C)(C)Sc2ccccc21 ZINC001355642016 1054192010 /nfs/dbraw/zinc/19/20/10/1054192010.db2.gz ZKESPIICKNXLEZ-SDNWHVSQSA-N 0 0 324.449 4.402 20 10 DICDRN Cc1ccncc1/C=C\C(=O)N1CC(C)(C)Sc2ccccc21 ZINC001355641329 1054192873 /nfs/dbraw/zinc/19/28/73/1054192873.db2.gz SYPUOBLCBKSZRK-HJWRWDBZSA-N 0 0 324.449 4.321 20 10 DICDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001233336709 1054238328 /nfs/dbraw/zinc/23/83/28/1054238328.db2.gz WPMBUCUHYKOMKK-CQSZACIVSA-N 0 0 321.342 4.017 20 10 DICDRN CCC[C@@H](CC1CCCC1)C(=O)NCc1ccc(N(C)C)cc1 ZINC001355878865 1054239725 /nfs/dbraw/zinc/23/97/25/1054239725.db2.gz MDBSFKOBNBVEPQ-SFHVURJKSA-N 0 0 316.489 4.365 20 10 DICDRN [O-]c1ccc(F)c(F)c1C[N@H+](Cc1ccccc1)C1CCC1 ZINC001233336251 1054240228 /nfs/dbraw/zinc/24/02/28/1054240228.db2.gz FMNDSBNEHGIXTP-UHFFFAOYSA-N 0 0 303.352 4.225 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)c2cc(C)cc(C)c2)cc1 ZINC001355912753 1054245440 /nfs/dbraw/zinc/24/54/40/1054245440.db2.gz ZWUNTQBBYIKHRI-UHFFFAOYSA-N 0 0 310.441 4.080 20 10 DICDRN COc1ccc(O)c(CNc2ccccc2COC(C)(C)C)c1 ZINC001336853367 1054249472 /nfs/dbraw/zinc/24/94/72/1054249472.db2.gz CNJLDGAQMKHHCL-UHFFFAOYSA-N 0 0 315.413 4.328 20 10 DICDRN Nc1ccc(CNC(=O)N2CCCCC[C@@H]2c2ccccc2)cc1 ZINC001337020184 1054253031 /nfs/dbraw/zinc/25/30/31/1054253031.db2.gz ZPEYVRCPRKPACK-LJQANCHMSA-N 0 0 323.440 4.096 20 10 DICDRN Cc1cccc2c1CN(Cc1cccc(C(F)(F)F)c1O)C2 ZINC001233415652 1054267360 /nfs/dbraw/zinc/26/73/60/1054267360.db2.gz DIITXTFPFKCELM-UHFFFAOYSA-N 0 0 307.315 4.235 20 10 DICDRN Cc1cc(Cl)cc(C)c1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001337415738 1054267495 /nfs/dbraw/zinc/26/74/95/1054267495.db2.gz ZYCRNPFPZMMJLE-GQCTYLIASA-N 0 0 317.772 4.020 20 10 DICDRN C[N@H+](Cc1ccccc1F)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233417941 1054267589 /nfs/dbraw/zinc/26/75/89/1054267589.db2.gz NKWJVOHMAMIQEB-UHFFFAOYSA-N 0 0 313.294 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/nfs/dbraw/zinc/29/56/32/1061295632.db2.gz KWCCYIPQWCSXSC-ZDUSSCGKSA-N 0 0 323.367 4.104 20 10 DICDRN CCc1ccc([C@@H](C)C(=O)NCc2cccc(Cl)c2O)cc1 ZINC001457037242 1061402893 /nfs/dbraw/zinc/40/28/93/1061402893.db2.gz KWMPYWGGPZKLSB-GFCCVEGCSA-N 0 0 317.816 4.028 20 10 DICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCc1ccc(Cl)cc1 ZINC001473914039 1061461015 /nfs/dbraw/zinc/46/10/15/1061461015.db2.gz NHNPKUQVZAHLCO-UHFFFAOYSA-N 0 0 314.187 4.170 20 10 DICDRN CC[C@@H](O)CNc1ccc(N=Nc2ccc(N(C)C)cc2)cc1 ZINC001251795808 1061489164 /nfs/dbraw/zinc/48/91/64/1061489164.db2.gz MSQCUJVTINXWTA-GOSISDBHSA-N 0 0 312.417 4.351 20 10 DICDRN CC[C@H](C)NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC001463632467 1061506046 /nfs/dbraw/zinc/50/60/46/1061506046.db2.gz GOKOSAXACKGNKJ-NSHDSACASA-N 0 0 304.821 4.276 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCc1ccccc1Cl ZINC001473966829 1061509408 /nfs/dbraw/zinc/50/94/08/1061509408.db2.gz ANYNOTNQBHDWBG-UHFFFAOYSA-N 0 0 314.187 4.170 20 10 DICDRN CN(C)c1ccc(/C=C/c2nnc(Cc3ccc(F)cc3)o2)cc1 ZINC001251901525 1061530268 /nfs/dbraw/zinc/53/02/68/1061530268.db2.gz LCKWXXLXPNOBQH-KPKJPENVSA-N 0 0 323.371 4.036 20 10 DICDRN Cc1cccc(O[C@@H](C)C[NH2+]Cc2c([O-])ccc(Cl)c2F)c1 ZINC001474011364 1061553119 /nfs/dbraw/zinc/55/31/19/1061553119.db2.gz STTXJWTZSBEVKS-LBPRGKRZSA-N 0 0 323.795 4.050 20 10 DICDRN Cc1cc(O)c(CNCC(F)(F)c2ccccc2)c(Cl)c1 ZINC001474165112 1061710852 /nfs/dbraw/zinc/71/08/52/1061710852.db2.gz FIIFJRKIGQEJGN-UHFFFAOYSA-N 0 0 311.759 4.236 20 10 DICDRN COC[C@@H](O)CNc1ccc(/N=N/c2ccccc2C)cc1C ZINC001252823731 1061731425 /nfs/dbraw/zinc/73/14/25/1061731425.db2.gz CRJIEABEIAOWRL-BZROSYFNSA-N 0 0 313.401 4.138 20 10 DICDRN CCOc1ccc(NCc2ccc(N(C)C)c(F)c2)c(F)c1 ZINC001474183546 1061732032 /nfs/dbraw/zinc/73/20/32/1061732032.db2.gz DIXFIYPRNHUQEQ-UHFFFAOYSA-N 0 0 306.356 4.042 20 10 DICDRN CC[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCCO1 ZINC001474193374 1061741578 /nfs/dbraw/zinc/74/15/78/1061741578.db2.gz IVPYCNUGTGMKII-KBPBESRZSA-N 0 0 318.244 4.136 20 10 DICDRN Cc1cc(O)c(C[NH2+]CC[C@]2(C)C[C@]2(F)Cl)c(Cl)c1 ZINC001474200778 1061753154 /nfs/dbraw/zinc/75/31/54/1061753154.db2.gz RTHLTXAWGBGWFA-ZIAGYGMSSA-N 0 0 306.208 4.148 20 10 DICDRN CCOCc1cc(CNCC(F)(F)C(C)(C)C)ccc1OC ZINC001474218882 1061776668 /nfs/dbraw/zinc/77/66/68/1061776668.db2.gz RKXQXSBNGDCUJJ-UHFFFAOYSA-N 0 0 315.404 4.003 20 10 DICDRN CCc1ccc(-c2nnc(-c3ccc(O)c(O)c3Cl)o2)cc1 ZINC001253026775 1061789183 /nfs/dbraw/zinc/78/91/83/1061789183.db2.gz NTNNLRXJWVKCBN-UHFFFAOYSA-N 0 0 316.744 4.031 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[C@H](C)[C@@H]1C ZINC001465729656 1061801403 /nfs/dbraw/zinc/80/14/03/1061801403.db2.gz SKDWURKVGAACNT-YOEHRIQHSA-N 0 0 310.441 4.273 20 10 DICDRN Clc1cnc(Sc2cccc(Br)n2)s1 ZINC001458510559 1061807770 /nfs/dbraw/zinc/80/77/70/1061807770.db2.gz QWISIQDLAIOEPG-UHFFFAOYSA-N 0 0 307.625 4.105 20 10 DICDRN CC(C)c1nc(N2Cc3cccc(O)c3C2)cc(C(C)(C)C)n1 ZINC001458545799 1061827719 /nfs/dbraw/zinc/82/77/19/1061827719.db2.gz OOQJXNUUNSAFFU-UHFFFAOYSA-N 0 0 311.429 4.123 20 10 DICDRN COc1ccc(O)c([C@@H](C)NC(=O)/C(F)=C\C2CCCCC2)c1 ZINC001465993769 1061855367 /nfs/dbraw/zinc/85/53/67/1061855367.db2.gz WMCOZTSEGAGIDX-HMHNVIDESA-N 0 0 321.392 4.012 20 10 DICDRN CC1(C)CCC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])O1 ZINC001474290175 1061860080 /nfs/dbraw/zinc/86/00/80/1061860080.db2.gz FVUAGAZUBYAKPA-LBPRGKRZSA-N 0 0 318.244 4.136 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001474294492 1061865164 /nfs/dbraw/zinc/86/51/64/1061865164.db2.gz OLIQCOCWGFLKDB-UHFFFAOYSA-N 0 0 300.160 4.128 20 10 DICDRN CCn1c2ccc(F)cc2nc1NCc1c(O)cccc1Cl ZINC001474301202 1061869092 /nfs/dbraw/zinc/86/90/92/1061869092.db2.gz HLPUJBDYZCUMJG-UHFFFAOYSA-N 0 0 319.767 4.166 20 10 DICDRN CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC001474321154 1061896373 /nfs/dbraw/zinc/89/63/73/1061896373.db2.gz ZVUVSYTUOYHQJE-LSDHHAIUSA-N 0 0 311.853 4.071 20 10 DICDRN Cc1ncccc1/C=C\C(=O)N1CCC[C@@H](C)c2ccccc21 ZINC001458800068 1061906127 /nfs/dbraw/zinc/90/61/27/1061906127.db2.gz YPIJIMUQKRJXKW-QYMJWVLRSA-N 0 0 306.409 4.334 20 10 DICDRN Cc1ncccc1/C=C\C(=O)N1CCC[C@H](C)c2ccccc21 ZINC001458800083 1061906144 /nfs/dbraw/zinc/90/61/44/1061906144.db2.gz YPIJIMUQKRJXKW-SSCKCOOKSA-N 0 0 306.409 4.334 20 10 DICDRN CC1(C)C[N@H+](Cc2cc(F)c(F)cc2[O-])[C@@H]1c1ccccc1 ZINC001474341117 1061940533 /nfs/dbraw/zinc/94/05/33/1061940533.db2.gz KPEAEOARRPGOOA-QGZVFWFLSA-N 0 0 303.352 4.254 20 10 DICDRN C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC001474355355 1061969941 /nfs/dbraw/zinc/96/99/41/1061969941.db2.gz KTJIOCISNLCYOD-XJKSGUPXSA-N 0 0 301.817 4.424 20 10 DICDRN Cc1ccc(CN(C)[C@@H](c2ccccc2)C(F)(F)F)c(O)c1 ZINC001474372075 1062012217 /nfs/dbraw/zinc/01/22/17/1062012217.db2.gz VMCBGUVUQIKKOX-INIZCTEOSA-N 0 0 309.331 4.436 20 10 DICDRN CCC[N@@H+](Cc1cc(C)cc(Br)c1[O-])CC(C)C ZINC001474374409 1062013604 /nfs/dbraw/zinc/01/36/04/1062013604.db2.gz QYOPIIZBYMQVRC-UHFFFAOYSA-N 0 0 314.267 4.331 20 10 DICDRN C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001474424863 1062099195 /nfs/dbraw/zinc/09/91/95/1062099195.db2.gz RZEBTZNPTXMAMS-BLLLJJGKSA-N 0 0 302.805 4.024 20 10 DICDRN COc1ccc2c(c1)CCCN2Cc1cc(O)cc(Cl)c1 ZINC001474428623 1062101334 /nfs/dbraw/zinc/10/13/34/1062101334.db2.gz LJTORWSVRIIVAC-UHFFFAOYSA-N 0 0 303.789 4.007 20 10 DICDRN COc1ccc(N(C)Cc2c(OC)cccc2OC)cc1Cl ZINC001474431183 1062106736 /nfs/dbraw/zinc/10/67/36/1062106736.db2.gz BICSRGSDOMLNIV-UHFFFAOYSA-N 0 0 321.804 4.002 20 10 DICDRN COc1ccc(F)cc1CN(C)c1ccc(OC(C)C)cc1 ZINC001474443134 1062120505 /nfs/dbraw/zinc/12/05/05/1062120505.db2.gz VWCUHZCTVMLFPQ-UHFFFAOYSA-N 0 0 303.377 4.258 20 10 DICDRN CN(C)c1cc(F)c(CN2CC3(CC3)c3ccccc32)cc1F ZINC001474455104 1062134163 /nfs/dbraw/zinc/13/41/63/1062134163.db2.gz UGUIKXYMBCMOGV-UHFFFAOYSA-N 0 0 314.379 4.083 20 10 DICDRN CC(C)[C@H](C[NH2+]Cc1cccc(F)c1[O-])Cc1ccccc1 ZINC001474456308 1062134442 /nfs/dbraw/zinc/13/44/42/1062134442.db2.gz MXAJGYBHGGOMCP-KRWDZBQOSA-N 0 0 301.405 4.136 20 10 DICDRN C[C@@H]1CCN(Cc2cccc(F)c2O)c2ccccc2S1 ZINC001474522332 1062204165 /nfs/dbraw/zinc/20/41/65/1062204165.db2.gz LDZHBOVYHLOUII-GFCCVEGCSA-N 0 0 303.402 4.422 20 10 DICDRN [O-]c1cc(Cl)ccc1C[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC001474538225 1062224636 /nfs/dbraw/zinc/22/46/36/1062224636.db2.gz SECQHESIHBQJLL-SAZUREKKSA-N 0 0 305.780 4.221 20 10 DICDRN COc1ccc2c(c1)CCCCN2CCc1ccc(F)cc1F ZINC001474557565 1062256237 /nfs/dbraw/zinc/25/62/37/1062256237.db2.gz UEGCINCUOXLSHE-UHFFFAOYSA-N 0 0 317.379 4.359 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)N2CCCCC[C@H]2C)cc1 ZINC001468121559 1062265814 /nfs/dbraw/zinc/26/58/14/1062265814.db2.gz NMSCQDCZEHZNOH-MRXNPFEDSA-N 0 0 317.477 4.007 20 10 DICDRN O=C(NCc1cc(Cl)ccc1O)NCC1CCCCCCC1 ZINC001468135571 1062267521 /nfs/dbraw/zinc/26/75/21/1062267521.db2.gz HHYDYTLPCYZYGC-UHFFFAOYSA-N 0 0 324.852 4.205 20 10 DICDRN C[N@H+](Cc1ccc(F)c(F)c1[O-])[C@H]1CCC[C@H]1c1ccccc1 ZINC001474574066 1062283872 /nfs/dbraw/zinc/28/38/72/1062283872.db2.gz PJMVQQWFHLNHDY-RDJZCZTQSA-N 0 0 317.379 4.439 20 10 DICDRN Cc1ccc(CN(C)Cc2cc(F)c(N(C)C)cc2F)cc1C ZINC001474581979 1062289428 /nfs/dbraw/zinc/28/94/28/1062289428.db2.gz YDQZMBBUOZBPNN-UHFFFAOYSA-N 0 0 318.411 4.280 20 10 DICDRN COc1ccc(N(CCOCC(C)C)Cc2ccco2)cc1F ZINC001459670169 1062293133 /nfs/dbraw/zinc/29/31/33/1062293133.db2.gz IJOABKYEXMMASV-UHFFFAOYSA-N 0 0 321.392 4.107 20 10 DICDRN CC[N@H+](Cc1occc1C)Cc1ccc(Br)cc1O ZINC001474584529 1062294107 /nfs/dbraw/zinc/29/41/07/1062294107.db2.gz PDZIYVQHYUVAMF-UHFFFAOYSA-N 0 0 324.218 4.078 20 10 DICDRN Cc1cc(C(=O)N2CC[C@H]2C2CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC001468275670 1062294288 /nfs/dbraw/zinc/29/42/88/1062294288.db2.gz HEYVKFSHWHHGDL-FQEVSTJZSA-N 0 0 322.452 4.335 20 10 DICDRN Oc1cc(F)c(F)cc1CNc1ccc2ccnc(Cl)c2c1 ZINC001474589066 1062302092 /nfs/dbraw/zinc/30/20/92/1062302092.db2.gz UDGJXVGOVRWVLP-UHFFFAOYSA-N 0 0 320.726 4.484 20 10 DICDRN C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CCc2ccc(F)cc21 ZINC001474607987 1062321437 /nfs/dbraw/zinc/32/14/37/1062321437.db2.gz IGOHQQODYKPEFO-GFCCVEGCSA-N 0 0 319.807 4.347 20 10 DICDRN CCN(Cc1nccc(Cl)c1Cl)c1ccc(OC)cc1 ZINC001459706073 1062322615 /nfs/dbraw/zinc/32/26/15/1062322615.db2.gz HFTRTOHFLFHVRB-UHFFFAOYSA-N 0 0 311.212 4.424 20 10 DICDRN COc1ccc(N(C)Cc2cc(O)ccc2Cl)cc1Cl ZINC001459713480 1062328881 /nfs/dbraw/zinc/32/88/81/1062328881.db2.gz BVBXMJGQRCWGHC-UHFFFAOYSA-N 0 0 312.196 4.344 20 10 DICDRN Cc1cc(C(=O)N[C@@H](C)CF)c(C)n1-c1ccc(C(C)C)cc1 ZINC001468517300 1062341756 /nfs/dbraw/zinc/34/17/56/1062341756.db2.gz GCKAWEKGEHQSQE-ZDUSSCGKSA-N 0 0 316.420 4.305 20 10 DICDRN COc1ccc(N(C)CCc2c(F)cccc2Cl)c(OC)c1 ZINC001459799297 1062407148 /nfs/dbraw/zinc/40/71/48/1062407148.db2.gz PSPGKRVRBSAMKW-UHFFFAOYSA-N 0 0 323.795 4.175 20 10 DICDRN Cc1cc(C(=O)N[C@H](C)C(F)F)c(C)n1-c1cc(C)cc(C)c1 ZINC001468856846 1062421194 /nfs/dbraw/zinc/42/11/94/1062421194.db2.gz JYYIMUHJNFAVSB-CYBMUJFWSA-N 0 0 320.383 4.094 20 10 DICDRN Cc1ccc(O)c(CNC(=O)NCC2(CC(C)C)CCCC2)c1 ZINC001469292477 1062521146 /nfs/dbraw/zinc/52/11/46/1062521146.db2.gz ZOBUAFDNWPSIMD-UHFFFAOYSA-N 0 0 318.461 4.106 20 10 DICDRN O=C(/C=C/C1CCCC1)NCc1ccc(N2CCCCC2)cc1 ZINC001469301568 1062523104 /nfs/dbraw/zinc/52/31/04/1062523104.db2.gz ALABWJHMBMXKFS-JLHYYAGUSA-N 0 0 312.457 4.040 20 10 DICDRN CCCc1ccccc1NC(=O)NCc1cc(Cl)ccc1O ZINC001475866031 1062532031 /nfs/dbraw/zinc/53/20/31/1062532031.db2.gz ZKTPOFWEJFNELI-UHFFFAOYSA-N 0 0 318.804 4.320 20 10 DICDRN Cc1ccc(SC[C@@H](C)[N@@H+]2CCc3cccc(O)c3C2)cc1 ZINC001255769952 1062593260 /nfs/dbraw/zinc/59/32/60/1062593260.db2.gz JLVINFDLQZZCGA-OAHLLOKOSA-N 0 0 313.466 4.240 20 10 DICDRN Cc1cc(C(=O)N2CCC[C@@H]3C[C@@H]32)c(C)n1-c1cccc(C)c1 ZINC001469701522 1062607547 /nfs/dbraw/zinc/60/75/47/1062607547.db2.gz YIOWFIMJQHZFAN-APWZRJJASA-N 0 0 308.425 4.027 20 10 DICDRN C[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)c1cc2ccccc2o1 ZINC001469792778 1062626686 /nfs/dbraw/zinc/62/66/86/1062626686.db2.gz LOTRAHVETLQELW-QWHCGFSZSA-N 0 0 324.380 4.260 20 10 DICDRN CCC[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CCC1 ZINC001469855274 1062646674 /nfs/dbraw/zinc/64/66/74/1062646674.db2.gz YJYNTBFIZNLWJA-KBXCAEBGSA-N 0 0 317.477 4.082 20 10 DICDRN COc1ccc(N(Cc2c(C)nsc2C)CC2CC2)cc1 ZINC001460127674 1062651760 /nfs/dbraw/zinc/65/17/60/1062651760.db2.gz JSPUCMRGIJAIAT-UHFFFAOYSA-N 0 0 302.443 4.185 20 10 DICDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2CCOCCC(C)C ZINC001460282004 1062754166 /nfs/dbraw/zinc/75/41/66/1062754166.db2.gz BKMFWBWDWYAJLB-GOSISDBHSA-N 0 0 319.489 4.393 20 10 DICDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2CCC[C@H]1CCOC1 ZINC001460288366 1062761232 /nfs/dbraw/zinc/76/12/32/1062761232.db2.gz YNYBQQGPUJOYJT-FUHWJXTLSA-N 0 0 317.473 4.147 20 10 DICDRN COc1ccc(N(CCc2csc(C)n2)CC(C)C)cc1 ZINC001460307875 1062770982 /nfs/dbraw/zinc/77/09/82/1062770982.db2.gz YLPULSQAOWWKOQ-UHFFFAOYSA-N 0 0 304.459 4.165 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC=CC[C@H]1C ZINC001256332081 1062779910 /nfs/dbraw/zinc/77/99/10/1062779910.db2.gz NIFAHKAUSLUDNR-NVXWUHKLSA-N 0 0 316.445 4.059 20 10 DICDRN CC(C)C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC001477341491 1062851941 /nfs/dbraw/zinc/85/19/41/1062851941.db2.gz RNLZPUAWPWLBFS-GOSISDBHSA-N 0 0 324.424 4.205 20 10 DICDRN C[C@@H](NC(=O)[C@H](C)c1ccc(Cl)cc1)c1ccccc1O ZINC001471195083 1062938298 /nfs/dbraw/zinc/93/82/98/1062938298.db2.gz BENLRGPWOIRGLU-VXGBXAGGSA-N 0 0 303.789 4.027 20 10 DICDRN C[C@@H]1CC[C@](C)(/C=C/C(=O)N2Cc3cccc(O)c3C2)C1(C)C ZINC001471355728 1062971056 /nfs/dbraw/zinc/97/10/56/1062971056.db2.gz SNTDXQJEPXEOHY-GFLDCEITSA-N 0 0 313.441 4.253 20 10 DICDRN C[C@@H]1CC[C@](C)(/C=C\C(=O)N2Cc3cccc(O)c3C2)C1(C)C ZINC001471355730 1062971165 /nfs/dbraw/zinc/97/11/65/1062971165.db2.gz SNTDXQJEPXEOHY-OWFSPBGFSA-N 0 0 313.441 4.253 20 10 DICDRN CCOc1ccc(N(C)Cc2cnc(OC)c3ccccc23)cc1 ZINC001460734717 1063028977 /nfs/dbraw/zinc/02/89/77/1063028977.db2.gz BTDGFCKLMYQZJN-UHFFFAOYSA-N 0 0 322.408 4.279 20 10 DICDRN CC(C)(CC(=O)NCc1c(O)cccc1F)C1CCCCC1 ZINC001471976430 1063037432 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CC(Cl)(Cl)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256965812 1063060362 /nfs/dbraw/zinc/06/03/62/1063060362.db2.gz KCZFDWWITFSQJS-UHFFFAOYSA-N 0 0 308.168 4.178 20 10 DICDRN CC[N@@H+]1CCCC[C@H]1c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256966047 1063060805 /nfs/dbraw/zinc/06/08/05/1063060805.db2.gz RLIJPOPSYBAXJP-KRWDZBQOSA-N 0 0 322.412 4.074 20 10 DICDRN FC(F)(F)CCCc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256961297 1063061828 /nfs/dbraw/zinc/06/18/28/1063061828.db2.gz NVOBBGIWGSQPMG-UHFFFAOYSA-N 0 0 321.302 4.412 20 10 DICDRN Clc1ccncc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256974933 1063063484 /nfs/dbraw/zinc/06/34/84/1063063484.db2.gz MDXNYHKFBXFEKQ-UHFFFAOYSA-N 0 0 322.755 4.243 20 10 DICDRN Clc1cnccc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256974718 1063064129 /nfs/dbraw/zinc/06/41/29/1063064129.db2.gz HTHJKSBLLCEJCB-UHFFFAOYSA-N 0 0 322.755 4.243 20 10 DICDRN Clc1ccnc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)c1 ZINC001256975135 1063064258 /nfs/dbraw/zinc/06/42/58/1063064258.db2.gz QVWMIEYIBOODBR-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/07/22/42/1063072242.db2.gz WSLPDRANQQCMQL-JOCQHMNTSA-N 0 0 309.837 4.124 20 10 DICDRN CC(C)c1oncc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256988052 1063073322 /nfs/dbraw/zinc/07/33/22/1063073322.db2.gz MUJVVWOCKWASCR-UHFFFAOYSA-N 0 0 320.352 4.306 20 10 DICDRN C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)NCc1cc(Cl)ccc1O ZINC001478104685 1063078147 /nfs/dbraw/zinc/07/81/47/1063078147.db2.gz ZUWIYYAWJJCXHJ-BXUZGUMPSA-N 0 0 324.852 4.060 20 10 DICDRN CCN(CC)c1ccc(CNc2ccccc2[N+](=O)[O-])cc1F ZINC001472691583 1063155482 /nfs/dbraw/zinc/15/54/82/1063155482.db2.gz RRFOGLNVOLOUTK-UHFFFAOYSA-N 0 0 317.364 4.192 20 10 DICDRN Cc1cc(CC(=O)N2C[C@H](C)[C@H](C)[C@@H]2C)c(C)n1-c1ccccc1 ZINC001461022013 1063194547 /nfs/dbraw/zinc/19/45/47/1063194547.db2.gz KCYUUTNDAQCMNB-XIRDDKMYSA-N 0 0 324.468 4.140 20 10 DICDRN COc1ccc(NCc2cc(Cl)cc(F)c2O)cc1Cl ZINC001461075010 1063233044 /nfs/dbraw/zinc/23/30/44/1063233044.db2.gz LZNFIHNRRJFJRN-UHFFFAOYSA-N 0 0 316.159 4.459 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001461128123 1063276499 /nfs/dbraw/zinc/27/64/99/1063276499.db2.gz KLUFCOXSZKJVHM-UHFFFAOYSA-N 0 0 318.150 4.267 20 10 DICDRN Cc1cc(Br)cc(Sc2ncc(Cl)s2)n1 ZINC001472841984 1063277164 /nfs/dbraw/zinc/27/71/64/1063277164.db2.gz SCUQXSKHPSFFMD-UHFFFAOYSA-N 0 0 321.652 4.414 20 10 DICDRN Clc1cnc(Sc2nc3ccccc3n3cncc23)s1 ZINC001472841491 1063278876 /nfs/dbraw/zinc/27/88/76/1063278876.db2.gz LWZHTKBLCXMPNX-UHFFFAOYSA-N 0 0 318.814 4.144 20 10 DICDRN CCc1ncnc(NCc2cc(C)n(-c3ccccc3)c2C)c1F ZINC001472851053 1063283467 /nfs/dbraw/zinc/28/34/67/1063283467.db2.gz QHLWOVNQTOIJFO-UHFFFAOYSA-N 0 0 324.403 4.198 20 10 DICDRN CC(C)(C)[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001461134333 1063285910 /nfs/dbraw/zinc/28/59/10/1063285910.db2.gz YXYQSFKGDWZPGA-CZUORRHYSA-N 0 0 320.433 4.243 20 10 DICDRN C[C@H](C1CC1)n1nccc1NC/C=C\c1ccc(N(C)C)cc1 ZINC001461147550 1063292272 /nfs/dbraw/zinc/29/22/72/1063292272.db2.gz JOWJDHVEZBFETP-FOSCPCJNSA-N 0 0 310.445 4.045 20 10 DICDRN Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001461154537 1063295851 /nfs/dbraw/zinc/29/58/51/1063295851.db2.gz HVTCLWBNIQIWRH-MRXNPFEDSA-N 0 0 305.780 4.270 20 10 DICDRN CCC[C@H](CC)[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC001461169384 1063305290 /nfs/dbraw/zinc/30/52/90/1063305290.db2.gz IVQLGJAPDNNEGC-LBPRGKRZSA-N 0 0 300.240 4.131 20 10 DICDRN Cc1ccc(C[C@@H](C)[NH2+]Cc2cc(Cl)cc(F)c2[O-])s1 ZINC001461223330 1063346296 /nfs/dbraw/zinc/34/62/96/1063346296.db2.gz IDLVNCLERFGEID-SECBINFHSA-N 0 0 313.825 4.275 20 10 DICDRN CCCOc1cccc(CSc2ncc(C(=O)OC)s2)c1 ZINC001473035440 1063367262 /nfs/dbraw/zinc/36/72/62/1063367262.db2.gz NGHXCGXURBYOOB-UHFFFAOYSA-N 0 0 323.439 4.011 20 10 DICDRN COc1cncc(/C=C/CCSc2ncc(Cl)s2)c1 ZINC001473066395 1063382668 /nfs/dbraw/zinc/38/26/68/1063382668.db2.gz MGFJJDPXZFXKOU-DUXPYHPUSA-N 0 0 312.847 4.396 20 10 DICDRN COc1cncc(/C=C\CCSc2ncc(Cl)s2)c1 ZINC001473066397 1063383761 /nfs/dbraw/zinc/38/37/61/1063383761.db2.gz MGFJJDPXZFXKOU-RQOWECAXSA-N 0 0 312.847 4.396 20 10 DICDRN COC(=O)c1cc(OC[C@@H](C)C2CCCCC2)ccc1N(C)C ZINC001473077119 1063389177 /nfs/dbraw/zinc/38/91/77/1063389177.db2.gz HXEJYUGCIFUXOI-CQSZACIVSA-N 0 0 319.445 4.134 20 10 DICDRN CC[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC001473105949 1063407202 /nfs/dbraw/zinc/40/72/02/1063407202.db2.gz SPKKXGCWNZKMFB-QGZVFWFLSA-N 0 0 300.471 4.324 20 10 DICDRN COCc1c(Cl)cccc1NCc1cc(F)cc(F)c1O ZINC001461321834 1063416897 /nfs/dbraw/zinc/41/68/97/1063416897.db2.gz SWJRCAYCAQUTIP-UHFFFAOYSA-N 0 0 313.731 4.082 20 10 DICDRN COc1ccc(N(C)Cc2cccc(F)c2Cl)cc1OC ZINC001473133547 1063441522 /nfs/dbraw/zinc/44/15/22/1063441522.db2.gz ZLOXGQDNNGLCMI-UHFFFAOYSA-N 0 0 309.768 4.133 20 10 DICDRN Cc1cc(O)c(CNc2cnc3c(c2)CCCC3)c(Cl)c1 ZINC001461428541 1063497323 /nfs/dbraw/zinc/49/73/23/1063497323.db2.gz QSZCPSUOMBUMPQ-UHFFFAOYSA-N 0 0 302.805 4.240 20 10 DICDRN CCc1ccc(NCc2cc(Cl)cc(F)c2O)cc1OC ZINC001461510021 1063546328 /nfs/dbraw/zinc/54/63/28/1063546328.db2.gz LCRBCISHFFUZLJ-UHFFFAOYSA-N 0 0 309.768 4.368 20 10 DICDRN Cc1nn(C)c2cc(NC/C=C/c3ccc(N(C)C)cc3)ccc12 ZINC001461523318 1063557212 /nfs/dbraw/zinc/55/72/12/1063557212.db2.gz OSENROHLOHNCKS-AATRIKPKSA-N 0 0 320.440 4.073 20 10 DICDRN CCCOc1cncc(NC/C=C\c2ccc(N(C)C)cc2)c1 ZINC001461643049 1063630175 /nfs/dbraw/zinc/63/01/75/1063630175.db2.gz PAFDMWHAULYCOY-WAYWQWQTSA-N 0 0 311.429 4.062 20 10 DICDRN CC(C)(C)c1ccc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)o1 ZINC001461698342 1063663999 /nfs/dbraw/zinc/66/39/99/1063663999.db2.gz PTHSGUMFVAUWNJ-UHFFFAOYSA-N 0 0 311.784 4.365 20 10 DICDRN CCN(CC)c1ccc(CNc2cccc(OC)c2OC)cc1 ZINC001461753359 1063697699 /nfs/dbraw/zinc/69/76/99/1063697699.db2.gz LXRHVBFVPKMPDE-UHFFFAOYSA-N 0 0 314.429 4.162 20 10 DICDRN CN(C)c1cc(F)c(CNCc2cscc2Cl)cc1F ZINC001461757317 1063699591 /nfs/dbraw/zinc/69/95/91/1063699591.db2.gz XWKUYIBYHNFCMV-UHFFFAOYSA-N 0 0 316.804 4.036 20 10 DICDRN Cc1ccc(/C=C/C(=O)N2CC3(CCCC3)c3ccccc32)cn1 ZINC001516281349 1063734587 /nfs/dbraw/zinc/73/45/87/1063734587.db2.gz ARGWMGDQBNLCPD-ZHACJKMWSA-N 0 0 318.420 4.262 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cc2cc(Cl)cnc2o1 ZINC001461821001 1063735701 /nfs/dbraw/zinc/73/57/01/1063735701.db2.gz YMAYPFXNUBDZCU-UHFFFAOYSA-N 0 0 323.179 4.130 20 10 DICDRN CC1(C)C[N@H+](Cc2cc(Cl)c(F)cc2[O-])Cc2ccccc21 ZINC001461872530 1063762920 /nfs/dbraw/zinc/76/29/20/1063762920.db2.gz BKSSTDLQBUDUGY-UHFFFAOYSA-N 0 0 319.807 4.478 20 10 DICDRN Cc1ccc(C[C@H]2CCC[N@@H+]2Cc2ccc(F)c(F)c2[O-])cc1 ZINC001461913669 1063793942 /nfs/dbraw/zinc/79/39/42/1063793942.db2.gz KGSDPKLLWQPMFQ-MRXNPFEDSA-N 0 0 317.379 4.186 20 10 DICDRN [O-]c1c(F)cc(F)cc1C[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC001461927833 1063811688 /nfs/dbraw/zinc/81/16/88/1063811688.db2.gz SSBNUSHKAWIWDX-UHFFFAOYSA-N 0 0 321.342 4.222 20 10 DICDRN C[C@H]1CN(Cc2ccc(Cl)cc2O)C[C@H](c2ccccc2)O1 ZINC001461990898 1063863419 /nfs/dbraw/zinc/86/34/19/1063863419.db2.gz WYOLPFXPWHPIRX-SCLBCKFNSA-N 0 0 317.816 4.008 20 10 DICDRN 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Cc1ccc(CN2CCCN(C)c3ccc(Cl)cc32)c(O)c1 ZINC001308802090 1066278711 /nfs/dbraw/zinc/27/87/11/1066278711.db2.gz PAJXEZRSQMFFGS-UHFFFAOYSA-N 0 0 316.832 4.201 20 10 DICDRN Cc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])c(F)c1 ZINC001308805634 1066282366 /nfs/dbraw/zinc/28/23/66/1066282366.db2.gz DGQGSJNFHZHSKB-UHFFFAOYSA-N 0 0 314.187 4.436 20 10 DICDRN CC1(C)[C@@H](c2ccccc2)CC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001308822923 1066298740 /nfs/dbraw/zinc/29/87/40/1066298740.db2.gz JCHKUUIPZBKBIU-OAHLLOKOSA-N 0 0 317.379 4.439 20 10 DICDRN COc1ccc(N(C)Cc2cc3c(cccc3C)[nH]2)cc1OC ZINC001308839179 1066314794 /nfs/dbraw/zinc/31/47/94/1066314794.db2.gz AUTRGTXOCRTYOL-UHFFFAOYSA-N 0 0 310.397 4.130 20 10 DICDRN Cc1cc(O)c(C[N@@H+]2CC[C@](C)(C(F)(F)F)C2)c(Cl)c1 ZINC001308927759 1066402641 /nfs/dbraw/zinc/40/26/41/1066402641.db2.gz KCUUWCBJHITZQJ-ZDUSSCGKSA-N 0 0 307.743 4.128 20 10 DICDRN Cc1csc([C@H]2CC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)n1 ZINC001308928634 1066403541 /nfs/dbraw/zinc/40/35/41/1066403541.db2.gz QOTSDCPYRIFXPP-LBPRGKRZSA-N 0 0 322.861 4.108 20 10 DICDRN [O-]c1cccc(F)c1C[NH2+]Cc1cccc(Oc2ccccn2)c1 ZINC001308948756 1066413364 /nfs/dbraw/zinc/41/33/64/1066413364.db2.gz RGWVGBBESAYNKQ-UHFFFAOYSA-N 0 0 324.355 4.008 20 10 DICDRN C[C@@H](CCc1cncc2ccccc21)[NH2+]Cc1c([O-])cccc1F ZINC001308948909 1066415003 /nfs/dbraw/zinc/41/50/03/1066415003.db2.gz SIFOJNWIHLSQFX-AWEZNQCLSA-N 0 0 324.399 4.190 20 10 DICDRN C[C@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1c([O-])cccc1F ZINC001308949261 1066415570 /nfs/dbraw/zinc/41/55/70/1066415570.db2.gz XJMPFUJXZZAQPN-SNVBAGLBSA-N 0 0 311.759 4.045 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(C)cc1 ZINC000756350546 1066468576 /nfs/dbraw/zinc/46/85/76/1066468576.db2.gz BMXCFXXOIJFUKY-CXAGYDPISA-N 0 0 314.385 4.411 20 10 DICDRN Cc1ccc(O)c(CNC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC001310100432 1066489387 /nfs/dbraw/zinc/48/93/87/1066489387.db2.gz BOYIKNVDNZUCMQ-UHFFFAOYSA-N 0 0 324.302 4.041 20 10 DICDRN CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N[C@H](C)c1ccccc1O ZINC001311859015 1066702607 /nfs/dbraw/zinc/70/26/07/1066702607.db2.gz FVFWQDBFZBEBFD-VYDXJSESSA-N 0 0 318.461 4.357 20 10 DICDRN C[C@H](CCC(C)(C)C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001312032424 1066728727 /nfs/dbraw/zinc/72/87/27/1066728727.db2.gz GCFZTYZNJTUAAG-CABCVRRESA-N 0 0 319.493 4.328 20 10 DICDRN Cc1cc(CNC(=O)N[C@H]2CC=CCC2)c(C)n1-c1ccccc1 ZINC001312040544 1066731049 /nfs/dbraw/zinc/73/10/49/1066731049.db2.gz GFMVFYJGJOHIJR-SFHVURJKSA-N 0 0 323.440 4.002 20 10 DICDRN CC[C@@H]1CCCC[C@@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC001312786800 1066857657 /nfs/dbraw/zinc/85/76/57/1066857657.db2.gz BWYICIXYDYKFNU-CHWSQXEVSA-N 0 0 324.852 4.061 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)Nc1cccc(F)c1C ZINC000072601954 191200865 /nfs/dbraw/zinc/20/08/65/191200865.db2.gz KMBWISUOCLOHRA-UHFFFAOYSA-N 0 0 316.376 4.284 20 10 DICDRN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)N1CCC[C@H]1CO ZINC000078648065 191903982 /nfs/dbraw/zinc/90/39/82/191903982.db2.gz TYAADAASJYFXAV-UAFUQJIBSA-N 0 0 324.384 4.091 20 10 DICDRN C[C@@H]([NH2+]Cc1ccccc1Br)c1ccc(F)cc1[O-] ZINC000062748145 184251932 /nfs/dbraw/zinc/25/19/32/184251932.db2.gz AZAZZQTUPAZATQ-SNVBAGLBSA-N 0 0 324.193 4.145 20 10 DICDRN Cc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])cn1 ZINC000273428340 130120451 /nfs/dbraw/zinc/12/04/51/130120451.db2.gz UVGYDNDYQJJCEI-JTQLQIEISA-N 0 0 311.212 4.253 20 10 DICDRN Cc1ccc([C@H](C)Nc2cccc(C(=O)NC3CC3)c2)c(O)c1C ZINC000273457042 130124450 /nfs/dbraw/zinc/12/44/50/130124450.db2.gz PUWSPRABUQOMIJ-AWEZNQCLSA-N 0 0 324.424 4.074 20 10 DICDRN C[C@@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273539583 130133532 /nfs/dbraw/zinc/13/35/32/130133532.db2.gz YBCHQCJTRAVQHY-MXWKQRLJSA-N 0 0 318.244 4.165 20 10 DICDRN Cc1ncc(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])s1 ZINC000273587076 130140352 /nfs/dbraw/zinc/14/03/52/130140352.db2.gz OBMIEHQSGPTRFH-ZETCQYMHSA-N 0 0 317.241 4.315 20 10 DICDRN CCc1ccc([C@H](COC)[NH2+][C@H](C)c2ccc(C)c(C)c2O)o1 ZINC000273581518 130140864 /nfs/dbraw/zinc/14/08/64/130140864.db2.gz MSVFVMSTSCEVDJ-PBHICJAKSA-N 0 0 317.429 4.203 20 10 DICDRN Cc1ccc([C@@H](C)Nc2ccc3ccn(C)c(=O)c3c2)c(O)c1C ZINC000284349948 131072275 /nfs/dbraw/zinc/07/22/75/131072275.db2.gz MEKSLHOFNYXFMA-CQSZACIVSA-N 0 0 322.408 4.034 20 10 DICDRN CC[C@@H]([NH2+]C1(c2cccc(OC)c2)CC1)c1ccc(F)cc1[O-] ZINC000285902871 131209070 /nfs/dbraw/zinc/20/90/70/131209070.db2.gz BJJKZDNKUISYJK-QGZVFWFLSA-N 0 0 315.388 4.270 20 10 DICDRN CC[C@H]([NH2+]CC1=CCCOC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287171152 131267465 /nfs/dbraw/zinc/26/74/65/131267465.db2.gz UPPIUKHRHIUVDK-AWEZNQCLSA-N 0 0 316.228 4.086 20 10 DICDRN CC[C@@H]([NH2+]CCc1ccncc1C)c1cccc(Cl)c1[O-] ZINC000287599332 131289333 /nfs/dbraw/zinc/28/93/33/131289333.db2.gz INJCEZJGXLJBNG-MRXNPFEDSA-N 0 0 304.821 4.032 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc(Cl)cn1)c1cccc(Cl)c1[O-] ZINC000287628633 131290920 /nfs/dbraw/zinc/29/09/20/131290920.db2.gz KENLSKXQXUNVOR-AWEZNQCLSA-N 0 0 311.212 4.335 20 10 DICDRN CC[C@H]([NH2+]CCc1csc(C)n1)c1cccc(Cl)c1[O-] ZINC000287826463 131302137 /nfs/dbraw/zinc/30/21/37/131302137.db2.gz VLXSZQORGGWLPV-AWEZNQCLSA-N 0 0 310.850 4.094 20 10 DICDRN CC[C@H]([NH2+][C@H](C)[C@H]1CCOC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287884604 131304251 /nfs/dbraw/zinc/30/42/51/131304251.db2.gz YPFLSHFWZVSFLU-BFVZDQMLSA-N 0 0 318.244 4.165 20 10 DICDRN CC(=O)N(c1ccc(NCc2cccc(C)c2O)cc1)[C@@H]1C[C@H]1C ZINC000294167546 131806029 /nfs/dbraw/zinc/80/60/29/131806029.db2.gz WGSHTZLERHIQKW-AUUYWEPGSA-N 0 0 324.424 4.074 20 10 DICDRN CCOc1ccc(N[C@H](C)c2c(C)cc(C)cc2O)cc1CO ZINC000294524092 335124470 /nfs/dbraw/zinc/12/44/70/335124470.db2.gz ZLNKKVMEYROIDD-CQSZACIVSA-N 0 0 315.413 4.073 20 10 DICDRN C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1cccc(O)c1 ZINC000192366398 336030065 /nfs/dbraw/zinc/03/00/65/336030065.db2.gz BSDNENRUCWPRTN-MRXNPFEDSA-N 0 0 310.441 4.233 20 10 DICDRN CC[C@@H](Nc1cccc(N2CCCC2=O)c1)c1ccccc1O ZINC000192937545 336285257 /nfs/dbraw/zinc/28/52/57/336285257.db2.gz NJZQXCIATNPBGR-QGZVFWFLSA-N 0 0 310.397 4.082 20 10 DICDRN Cc1cc(N(C)C)ccc1CNc1ncccc1C(F)(F)F ZINC000301255081 336297136 /nfs/dbraw/zinc/29/71/36/336297136.db2.gz DDZCBYWKTNPQEG-UHFFFAOYSA-N 0 0 309.335 4.087 20 10 DICDRN CC1CCN(c2ccc(CNc3ccnc(C4CC4)n3)cc2)CC1 ZINC000301258270 336297277 /nfs/dbraw/zinc/29/72/77/336297277.db2.gz OAZMIDSCGNFJGH-UHFFFAOYSA-N 0 0 322.456 4.202 20 10 DICDRN c1csc(SCCCNc2nc3ccccc3s2)n1 ZINC000301301125 336299711 /nfs/dbraw/zinc/29/97/11/336299711.db2.gz UZELNVYNMBHSFC-UHFFFAOYSA-N 0 0 307.469 4.347 20 10 DICDRN C[C@@H](Nc1cccc(C(F)(F)F)n1)c1ccc(N(C)C)cc1 ZINC000302335186 336357363 /nfs/dbraw/zinc/35/73/63/336357363.db2.gz ASSDFGCTCGGPOQ-LLVKDONJSA-N 0 0 309.335 4.340 20 10 DICDRN C[C@H](Nc1nnc(C(C)(C)C)s1)c1ccc(N(C)C)cc1 ZINC000302471739 336359382 /nfs/dbraw/zinc/35/93/82/336359382.db2.gz WOEBQSAJDFJYIS-NSHDSACASA-N 0 0 304.463 4.075 20 10 DICDRN C[C@H](Nc1ncnc2c(F)cccc12)c1ccc(N(C)C)cc1 ZINC000302854357 336371982 /nfs/dbraw/zinc/37/19/82/336371982.db2.gz RCJFDZQIZPLFBO-LBPRGKRZSA-N 0 0 310.376 4.008 20 10 DICDRN Fc1cccc(F)c1-c1nc(CSc2nccs2)co1 ZINC000119190826 336881514 /nfs/dbraw/zinc/88/15/14/336881514.db2.gz ZAILJEBMFFJERX-UHFFFAOYSA-N 0 0 310.350 4.369 20 10 DICDRN CC(C)c1nc([C@H]2CCCCCN2Cc2ccccc2O)no1 ZINC000378534787 337075265 /nfs/dbraw/zinc/07/52/65/337075265.db2.gz QNKSGOPCNPRNPA-OAHLLOKOSA-N 0 0 315.417 4.016 20 10 DICDRN C[C@@H]([NH2+]Cc1cccc(-c2ccccn2)c1)c1ccc(F)cc1[O-] ZINC000186150262 337254058 /nfs/dbraw/zinc/25/40/58/337254058.db2.gz STUYGZZKYRFZBX-CQSZACIVSA-N 0 0 322.383 4.444 20 10 DICDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H](C)c1ccccc1F ZINC000471219358 339340355 /nfs/dbraw/zinc/34/03/55/339340355.db2.gz HLNNAKPDKPNKIJ-AWEZNQCLSA-N 0 0 324.399 4.046 20 10 DICDRN CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1ccc(N)cc1 ZINC000236782913 519801288 /nfs/dbraw/zinc/80/12/88/519801288.db2.gz MNKZDXCABPQIPZ-QGZVFWFLSA-N 0 0 314.454 4.165 20 10 DICDRN CCOCc1ccc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])cc1 ZINC000191199404 520194602 /nfs/dbraw/zinc/19/46/02/520194602.db2.gz BFXNYUQCGZEPDO-LBPRGKRZSA-N 0 0 321.367 4.058 20 10 DICDRN CCOCc1ccccc1C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000191192563 520214688 /nfs/dbraw/zinc/21/46/88/520214688.db2.gz PWVSOLRMYVAWMV-LBPRGKRZSA-N 0 0 321.367 4.058 20 10 DICDRN CCOc1cc(NCc2cccc(Cl)c2O)ccc1OC ZINC000158046345 520762221 /nfs/dbraw/zinc/76/22/21/520762221.db2.gz DDQNHYZVTMIMAF-UHFFFAOYSA-N 0 0 307.777 4.065 20 10 DICDRN CCOc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])c1 ZINC000185229796 521413340 /nfs/dbraw/zinc/41/33/40/521413340.db2.gz HUFJIJURYYXNHQ-CHWSQXEVSA-N 0 0 303.377 4.342 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)Nc1cccc(C)c1F ZINC000179940811 521688352 /nfs/dbraw/zinc/68/83/52/521688352.db2.gz RCTKRPRNJUZCGO-UHFFFAOYSA-N 0 0 316.376 4.284 20 10 DICDRN CCc1nc([C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000162313625 522454712 /nfs/dbraw/zinc/45/47/12/522454712.db2.gz UUSHQWFNDDLNAS-OLZOCXBDSA-N 0 0 303.475 4.183 20 10 DICDRN C[C@H](NCc1nccs1)c1ccc(N2CCCCCC2)cc1 ZINC000128181634 525491137 /nfs/dbraw/zinc/49/11/37/525491137.db2.gz SUGRQLUHQOGEEY-HNNXBMFYSA-N 0 0 315.486 4.374 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(F)c(F)c1[O-] ZINC000191196651 525561552 /nfs/dbraw/zinc/56/15/52/525561552.db2.gz LSCGTJKEJZINJT-LPEHRKFASA-N 0 0 323.305 4.442 20 10 DICDRN Cc1c(N[C@H](C)C(C)C)cccc1C(=O)Nc1ccc(N)cc1 ZINC000269127143 525876358 /nfs/dbraw/zinc/87/63/58/525876358.db2.gz MPCFEZCGJYQGDB-CQSZACIVSA-N 0 0 311.429 4.286 20 10 DICDRN C[C@H](c1ccccc1)N(CC1CCC1)C(=O)Cc1ccc(N)cc1 ZINC000237440725 526095055 /nfs/dbraw/zinc/09/50/55/526095055.db2.gz QBLXEUSKCJGVKC-MRXNPFEDSA-N 0 0 322.452 4.201 20 10 DICDRN Cc1nc(C)c([C@H](C)[N@H+](C)Cc2cccc(Cl)c2[O-])s1 ZINC000180154251 526750236 /nfs/dbraw/zinc/75/02/36/526750236.db2.gz GGBCJPDGOCFCRS-JTQLQIEISA-N 0 0 310.850 4.312 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1[O-] ZINC000285996607 535808705 /nfs/dbraw/zinc/80/87/05/535808705.db2.gz IKDGKBVYEADKFD-BDJLRTHQSA-N 0 0 318.348 4.241 20 10 DICDRN CC[C@H]([NH2+][C@@H](CCCO)c1ccccc1)c1ccc(F)cc1[O-] ZINC000286119488 535930916 /nfs/dbraw/zinc/93/09/16/535930916.db2.gz OADNNYLGOCKJQK-ROUUACIJSA-N 0 0 317.404 4.086 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cccc(Cl)c1[O-] ZINC000287295915 535939821 /nfs/dbraw/zinc/93/98/21/535939821.db2.gz CETPEYZOBPCWLY-DOMZBBRYSA-N 0 0 309.837 4.188 20 10 DICDRN C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccc(Cl)c(Cl)c1[O-] ZINC000779077752 1045250832 /nfs/dbraw/zinc/25/08/32/1045250832.db2.gz BIQURIVETJZHMJ-ZJUUUORDSA-N 0 0 318.244 4.307 20 10 DICDRN COC(=O)c1cc(CSc2ncc(Cl)s2)ccc1C ZINC001307377251 1065361017 /nfs/dbraw/zinc/36/10/17/1065361017.db2.gz OJKQHARVGPKXGB-UHFFFAOYSA-N 0 0 313.831 4.184 20 10 DICDRN C[C@@H](NCc1ccc(N(C)C2CCCCC2)cc1)c1ncc[nH]1 ZINC000286107706 1035612139 /nfs/dbraw/zinc/61/21/39/1035612139.db2.gz NLYBTLRYIFGDGP-OAHLLOKOSA-N 0 0 312.461 4.029 20 10 DICDRN CCOc1ccc(-c2nc(-c3ccc(O)c(O)c3)cs2)cc1 ZINC000021224941 1035622085 /nfs/dbraw/zinc/62/20/85/1035622085.db2.gz OHVRFOMIPVUYLS-UHFFFAOYSA-N 0 0 313.378 4.287 20 10 DICDRN CC[C@H]1CCC[C@@]1(C)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC001625794464 1035687992 /nfs/dbraw/zinc/68/79/92/1035687992.db2.gz IPKDGQQPUGSTHW-FXAWDEMLSA-N 0 0 316.489 4.318 20 10 DICDRN CC(C)(C)/C=C\C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000254944595 1035800984 /nfs/dbraw/zinc/80/09/84/1035800984.db2.gz NKAFSUWHKHLVOY-KHPPLWFESA-N 0 0 313.397 4.116 20 10 DICDRN C[C@H](NC(=O)Nc1ccccc1C(F)F)c1ccccc1O ZINC001625823322 1035978661 /nfs/dbraw/zinc/97/86/61/1035978661.db2.gz YLSVAHTZCAHFGL-JTQLQIEISA-N 0 0 306.312 4.213 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccc(C)cc2)cc1 ZINC000728219259 1036032182 /nfs/dbraw/zinc/03/21/82/1036032182.db2.gz KUAIUGBSDPJRFV-UHFFFAOYSA-N 0 0 310.441 4.113 20 10 DICDRN CCOCCC[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806125478 1036081136 /nfs/dbraw/zinc/08/11/36/1036081136.db2.gz AHGYUOKPYPXTCE-ZDUSSCGKSA-N 0 0 306.233 4.166 20 10 DICDRN Cc1ccc(O)c(CNC(=O)C2CCC(c3ccccc3)CC2)c1 ZINC001167293758 1036480002 /nfs/dbraw/zinc/48/00/02/1036480002.db2.gz REBPOKZWJPGBTM-UHFFFAOYSA-N 0 0 323.436 4.291 20 10 DICDRN Oc1c(Cl)cccc1Nc1ccnc2ccc(Cl)cc21 ZINC001210216073 1036533549 /nfs/dbraw/zinc/53/35/49/1036533549.db2.gz PWXBCXWISFGOER-UHFFFAOYSA-N 0 0 305.164 4.413 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCCC12CC2 ZINC000706231975 1036603102 /nfs/dbraw/zinc/60/31/02/1036603102.db2.gz IZRJWBVKHPWWJX-NSHDSACASA-N 0 0 300.229 4.369 20 10 DICDRN C[C@H](NC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21)c1ccccc1O ZINC001648891951 1036676754 /nfs/dbraw/zinc/67/67/54/1036676754.db2.gz JPWSMCRZDKQLAL-XOSAIJSUSA-N 0 0 301.430 4.176 20 10 DICDRN C[C@H](NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12)c1ccccc1O ZINC001648891949 1036676851 /nfs/dbraw/zinc/67/68/51/1036676851.db2.gz JPWSMCRZDKQLAL-XJNFMUPTSA-N 0 0 301.430 4.176 20 10 DICDRN C[C@H](CCCc1ccccc1)C(=O)N[C@@H](C)c1ccccc1O ZINC001648891878 1036677703 /nfs/dbraw/zinc/67/77/03/1036677703.db2.gz IXKKWHWAFXSXSD-CVEARBPZSA-N 0 0 311.425 4.228 20 10 DICDRN C[C@H](NC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)c1ccccc1O ZINC001648891945 1036677791 /nfs/dbraw/zinc/67/77/91/1036677791.db2.gz JPWSMCRZDKQLAL-HDEZJCGLSA-N 0 0 301.430 4.176 20 10 DICDRN COc1cc(Cl)cc(CNc2cccc(SC)c2)c1O ZINC000076274199 1036702504 /nfs/dbraw/zinc/70/25/04/1036702504.db2.gz APINMEGDZXQLGD-UHFFFAOYSA-N 0 0 309.818 4.388 20 10 DICDRN CCc1ncccc1N(c1ccc(N)cc1)c1ccc(N)cc1 ZINC001210469505 1036727734 /nfs/dbraw/zinc/72/77/34/1036727734.db2.gz YQPAOMCVGFSOKS-UHFFFAOYSA-N 0 0 304.397 4.278 20 10 DICDRN CC=C(C)Nc1ccc(OCCCOc2ccc(N)cc2)cc1 ZINC001210794866 1036977030 /nfs/dbraw/zinc/97/70/30/1036977030.db2.gz PAMNRHSMWCQYBN-CRKCGEKBSA-N 0 0 312.413 4.452 20 10 DICDRN CCn1c(C)cc(/C=C2\C(=O)Nc3ccc(Cl)cc32)c1C ZINC000728286372 1036982776 /nfs/dbraw/zinc/98/27/76/1036982776.db2.gz BYMXKSIATMGDJC-NVNXTCNLSA-N 0 0 300.789 4.271 20 10 DICDRN CC[C@H](Nc1cnn([C@H](C)C2CC2)c1)c1ccc(N(C)C)cc1 ZINC000187614974 1036995161 /nfs/dbraw/zinc/99/51/61/1036995161.db2.gz FSKDQCJOUYOHEU-KUHUBIRLSA-N 0 0 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C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000814294474 1041801619 /nfs/dbraw/zinc/80/16/19/1041801619.db2.gz PNTHNXAKDKJPPC-LHTRBZICSA-N 0 0 317.479 4.467 20 10 DICDRN Cc1ccc(/C=C2/SC(=S)N([C@@H]3CCCC[C@H]3C)C2=O)o1 ZINC000814294134 1041801842 /nfs/dbraw/zinc/80/18/42/1041801842.db2.gz NISQLFROMMERBB-YDPCZCDVSA-N 0 0 321.467 4.368 20 10 DICDRN CC(C)(C)c1ccc(/C=C2\SC(=S)N(C3CC3)C2=O)cc1 ZINC000814285407 1041803666 /nfs/dbraw/zinc/80/36/66/1041803666.db2.gz UQUWYRZBXVLKRN-UVTDQMKNSA-N 0 0 317.479 4.348 20 10 DICDRN CCO[C@@H](CC[NH2+][C@H](C)c1ccc(F)cc1[O-])C1CCCC1 ZINC000756638056 1041821245 /nfs/dbraw/zinc/82/12/45/1041821245.db2.gz RFIHCJFKSJKZFI-ACJLOTCBSA-N 0 0 309.425 4.167 20 10 DICDRN O=[N+]([O-])c1ccc(C(F)(F)F)c(CSc2nccs2)c1 ZINC000814743453 1041861323 /nfs/dbraw/zinc/86/13/23/1041861323.db2.gz DHTCBQRKPXQVHF-UHFFFAOYSA-N 0 0 320.317 4.362 20 10 DICDRN C[C@@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)c1cccc(F)c1 ZINC001649144321 1041864855 /nfs/dbraw/zinc/86/48/55/1041864855.db2.gz DRPCCRQNEWKHLX-JTQLQIEISA-N 0 0 311.759 4.217 20 10 DICDRN Cc1cc(CC(=O)N[C@H]2CC[C@H](C)CC2)c(C)n1-c1ccccc1 ZINC001126047655 1041906275 /nfs/dbraw/zinc/90/62/75/1041906275.db2.gz OKWHTHBLNWHXFI-RHDGDCLCSA-N 0 0 324.468 4.332 20 10 DICDRN Oc1ccc(Cl)c(F)c1CNc1ccc([C@H]2CCOC2)cc1 ZINC000815153474 1041920366 /nfs/dbraw/zinc/92/03/66/1041920366.db2.gz CUPKYUACJPWTFL-LBPRGKRZSA-N 0 0 321.779 4.301 20 10 DICDRN Oc1ccc(Cl)cc1CNc1ccc([C@H]2CCOC2)cc1 ZINC000815153784 1041920769 /nfs/dbraw/zinc/92/07/69/1041920769.db2.gz IIFPXTFOYZJWHU-ZDUSSCGKSA-N 0 0 303.789 4.162 20 10 DICDRN CCCCC[C@H](C)CC(=O)NCc1ccc(N(C)C)cc1C ZINC001126080089 1041931051 /nfs/dbraw/zinc/93/10/51/1041931051.db2.gz LMJOTXPSNAVBJK-HNNXBMFYSA-N 0 0 304.478 4.284 20 10 DICDRN O=C(NOCC(F)F)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000759927476 1041959980 /nfs/dbraw/zinc/95/99/80/1041959980.db2.gz HTBHLAZVDDHMSB-UHFFFAOYSA-N 0 0 320.299 4.420 20 10 DICDRN Cc1ccc(CC[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])o1 ZINC000815559174 1041962591 /nfs/dbraw/zinc/96/25/91/1041962591.db2.gz ZMVOBIZIZTXXON-NSHDSACASA-N 0 0 313.319 4.206 20 10 DICDRN CC[C@@H]([NH2+][C@@H]1CCSC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806147865 1041965560 /nfs/dbraw/zinc/96/55/60/1041965560.db2.gz NUEZLQSJLHWABT-BXKDBHETSA-N 0 0 306.258 4.245 20 10 DICDRN Cc1ncc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])s1 ZINC000815575861 1041966212 /nfs/dbraw/zinc/96/62/12/1041966212.db2.gz CPICROATFUBMAP-QMMMGPOBSA-N 0 0 316.348 4.027 20 10 DICDRN CSCC[C@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815582179 1041967151 /nfs/dbraw/zinc/96/71/51/1041967151.db2.gz ZMHSEMBLLJDBLV-VHSXEESVSA-N 0 0 307.381 4.203 20 10 DICDRN CO[C@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])C(C)(C)C ZINC000815585512 1041967372 /nfs/dbraw/zinc/96/73/72/1041967372.db2.gz JTKMKARDCOLYNY-ZWNOBZJWSA-N 0 0 319.367 4.123 20 10 DICDRN C[C@@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])c1ccncc1 ZINC000815586466 1041968039 /nfs/dbraw/zinc/96/80/39/1041968039.db2.gz JKQFYUQWQVSGAO-NWDGAFQWSA-N 0 0 324.346 4.260 20 10 DICDRN C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1cccc(C2CC2)c1 ZINC000815573184 1041972788 /nfs/dbraw/zinc/97/27/88/1041972788.db2.gz ATNCKFHDVPQWIY-GFCCVEGCSA-N 0 0 312.369 4.029 20 10 DICDRN C[C@H]([NH2+]C[C@@H]1CCCCS1)c1cccc(C(F)(F)F)c1[O-] ZINC000815614952 1041974022 /nfs/dbraw/zinc/97/40/22/1041974022.db2.gz DWYGGJJTRKJTRR-QWRGUYRKSA-N 0 0 319.392 4.347 20 10 DICDRN CO[C@H]1Cc2ccc(N[C@@H](C)c3c(C)cc(C)cc3O)cc2C1 ZINC000815616540 1041975056 /nfs/dbraw/zinc/97/50/56/1041975056.db2.gz QNPIUOUGUCXBPV-KSSFIOAISA-N 0 0 311.425 4.296 20 10 DICDRN C[C@@H](N[C@H]1CCCC1(F)F)c1cccc(C(F)(F)F)c1O ZINC000815626615 1041977041 /nfs/dbraw/zinc/97/70/41/1041977041.db2.gz IJPHWXRRYUVXTA-KCJUWKMLSA-N 0 0 309.278 4.249 20 10 DICDRN CC(C)SCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815625375 1041977544 /nfs/dbraw/zinc/97/75/44/1041977544.db2.gz BQWDFCNKOHGYAB-SNVBAGLBSA-N 0 0 307.381 4.203 20 10 DICDRN C[C@H]([NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1)c1cc(F)cc(F)c1[O-] ZINC000815632546 1041978526 /nfs/dbraw/zinc/97/85/26/1041978526.db2.gz QHNKGFPHDXXXCM-WBIUFABUSA-N 0 0 321.342 4.406 20 10 DICDRN COC1(CC[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])CCC1 ZINC000815642049 1041983424 /nfs/dbraw/zinc/98/34/24/1041983424.db2.gz QBWDOGJNIXEVOQ-LLVKDONJSA-N 0 0 317.351 4.021 20 10 DICDRN CCN(C)c1ccc([C@@H](C)NCc2c(F)cc(F)cc2F)cc1 ZINC000815649240 1041983895 /nfs/dbraw/zinc/98/38/95/1041983895.db2.gz KIHXMLKMKHRBDM-GFCCVEGCSA-N 0 0 322.374 4.411 20 10 DICDRN C[C@@H](Nc1ccc([C@H]2CCOC2)cc1)c1ccc(N(C)C)cc1 ZINC000815653699 1041986533 /nfs/dbraw/zinc/98/65/33/1041986533.db2.gz QVNKDOMRHMEBSB-QAPCUYQASA-N 0 0 310.441 4.430 20 10 DICDRN CCCCCc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001135327710 1042015698 /nfs/dbraw/zinc/01/56/98/1042015698.db2.gz OWMFTQPCLLNJHR-UHFFFAOYSA-N 0 0 313.397 4.012 20 10 DICDRN Cc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])nc1C ZINC000313970776 1042016121 /nfs/dbraw/zinc/01/61/21/1042016121.db2.gz UAYZBIQOCBBURT-UHFFFAOYSA-N 0 0 311.212 4.001 20 10 DICDRN Oc1cc(F)c(Cl)cc1CNc1cccc(-c2cnco2)c1 ZINC000816479312 1042056137 /nfs/dbraw/zinc/05/61/37/1042056137.db2.gz IFLKLNHMAPXZDL-UHFFFAOYSA-N 0 0 318.735 4.452 20 10 DICDRN CCOc1ccc([C@H](C)[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816531345 1042061253 /nfs/dbraw/zinc/06/12/53/1042061253.db2.gz OVCFKSJFXNKHFR-NSHDSACASA-N 0 0 323.795 4.434 20 10 DICDRN C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816546801 1042063419 /nfs/dbraw/zinc/06/34/19/1042063419.db2.gz WSAJZMCJLLNANV-BMLIUANNSA-N 0 0 305.780 4.208 20 10 DICDRN CC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccccc1OC ZINC000816534531 1042063868 /nfs/dbraw/zinc/06/38/68/1042063868.db2.gz LYYDNVKZVDXMHR-HNNXBMFYSA-N 0 0 323.795 4.434 20 10 DICDRN Cc1cc(N(C)C)ccc1NCc1cc(Cl)c(F)cc1O ZINC000816522096 1042064297 /nfs/dbraw/zinc/06/42/97/1042064297.db2.gz JWMGGIVOLIZGHF-UHFFFAOYSA-N 0 0 308.784 4.171 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000816548270 1042065178 /nfs/dbraw/zinc/06/51/78/1042065178.db2.gz BLZGEXSRAAQUMI-UHFFFAOYSA-N 0 0 309.743 4.103 20 10 DICDRN Cc1cccc2c1CC[C@H]2[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816548071 1042065276 /nfs/dbraw/zinc/06/52/76/1042065276.db2.gz SSIJFTOZEFJABC-MRXNPFEDSA-N 0 0 305.780 4.270 20 10 DICDRN Oc1cc(F)c(Cl)cc1CNc1ccccc1OC(F)F ZINC000816524535 1042066160 /nfs/dbraw/zinc/06/61/60/1042066160.db2.gz JDZUVWHZQDZMRJ-UHFFFAOYSA-N 0 0 317.694 4.398 20 10 DICDRN Cc1nc2ccc(NCc3cc(Cl)c(F)cc3O)cc2o1 ZINC000816557137 1042067760 /nfs/dbraw/zinc/06/77/60/1042067760.db2.gz FUELSKJBRLMCLH-UHFFFAOYSA-N 0 0 306.724 4.246 20 10 DICDRN Cn1cnc2cc(NCc3ccc4ccccc4c3O)ccc21 ZINC000816563578 1042069383 /nfs/dbraw/zinc/06/93/83/1042069383.db2.gz CLBMSVXPQSVFOI-UHFFFAOYSA-N 0 0 303.365 4.044 20 10 DICDRN CN1CCCc2cc(NCc3cc(Cl)c(F)cc3O)ccc21 ZINC000816563633 1042069417 /nfs/dbraw/zinc/06/94/17/1042069417.db2.gz DWSAXFRNLVQQLF-UHFFFAOYSA-N 0 0 320.795 4.179 20 10 DICDRN CO[C@H]1Cc2ccc(NCc3ccc4ccccc4c3O)cc2C1 ZINC000816567496 1042069473 /nfs/dbraw/zinc/06/94/73/1042069473.db2.gz CEGQABAWTSMMMN-IBGZPJMESA-N 0 0 319.404 4.271 20 10 DICDRN C[C@H](C1CC1)n1cc(NCc2ccc3ccccc3c2O)cn1 ZINC000816574993 1042070686 /nfs/dbraw/zinc/07/06/86/1042070686.db2.gz YSHIFNUFTROVQU-CYBMUJFWSA-N 0 0 307.397 4.325 20 10 DICDRN COc1cc(F)c(F)cc1NCc1cc(Cl)c(F)cc1O ZINC000816614944 1042073989 /nfs/dbraw/zinc/07/39/89/1042073989.db2.gz JAJXXCHTNIFRKK-UHFFFAOYSA-N 0 0 317.694 4.084 20 10 DICDRN Cc1cc(Cl)cc(CNc2ccc([C@H]3CCOC3)cc2)c1O ZINC000816656228 1042076243 /nfs/dbraw/zinc/07/62/43/1042076243.db2.gz KJKXHDBLSOQNDS-AWEZNQCLSA-N 0 0 317.816 4.470 20 10 DICDRN CCC1=S=C(C(=O)Nc2ccc(-c3ccncc3)c(C)c2)C=C1 ZINC000816836629 1042082700 /nfs/dbraw/zinc/08/27/00/1042082700.db2.gz VEPSXVRUHOLVAC-UHFFFAOYSA-N 0 0 322.433 4.053 20 10 DICDRN C[C@@H]([NH2+]CCCC1(O)CCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817585535 1042117671 /nfs/dbraw/zinc/11/76/71/1042117671.db2.gz GGDTYUVQSSVBHQ-SNVBAGLBSA-N 0 0 318.244 4.045 20 10 DICDRN C[C@H]([NH2+]CCCC1(O)CCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817585534 1042117847 /nfs/dbraw/zinc/11/78/47/1042117847.db2.gz GGDTYUVQSSVBHQ-JTQLQIEISA-N 0 0 318.244 4.045 20 10 DICDRN CNc1ccccc1NCc1ccc(-n2nc(C)cc2C)cc1 ZINC001167799660 1042120486 /nfs/dbraw/zinc/12/04/86/1042120486.db2.gz FAGLJLOMMCRSMY-UHFFFAOYSA-N 0 0 306.413 4.143 20 10 DICDRN Cc1c(C)n(C)c2ccc(OC(=O)CC3CC(F)(F)C3)cc12 ZINC000817762507 1042125447 /nfs/dbraw/zinc/12/54/47/1042125447.db2.gz UVMNEUKMTDAHJY-UHFFFAOYSA-N 0 0 307.340 4.136 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)[C@@H](C)C1CC1 ZINC001136025918 1042127101 /nfs/dbraw/zinc/12/71/01/1042127101.db2.gz DWENTBPKPWUFBY-INIZCTEOSA-N 0 0 310.441 4.273 20 10 DICDRN C[C@H](Nc1cnn(C(C)(C)C)c1)c1cc2c(cc1O)CCCC2 ZINC000756854528 1042129652 /nfs/dbraw/zinc/12/96/52/1042129652.db2.gz FQGCVCYFMGUJNV-ZDUSSCGKSA-N 0 0 313.445 4.396 20 10 DICDRN CC(C)c1ccc([C@@H](N)C[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000817953959 1042131777 /nfs/dbraw/zinc/13/17/77/1042131777.db2.gz SYSHXWYFAOAPNS-ACJLOTCBSA-N 0 0 316.420 4.005 20 10 DICDRN CC[C@@H]([NH2+][C@H]1CCCc2cc(N)ccc21)c1ccc(F)cc1[O-] ZINC000817967238 1042133236 /nfs/dbraw/zinc/13/32/36/1042133236.db2.gz GCQZRNIAYPQXSE-MSOLQXFVSA-N 0 0 314.404 4.232 20 10 DICDRN CC[C@@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)c1ccc(F)cc1[O-] ZINC000817967239 1042134065 /nfs/dbraw/zinc/13/40/65/1042134065.db2.gz GCQZRNIAYPQXSE-QZTJIDSGSA-N 0 0 314.404 4.232 20 10 DICDRN CC[C@H]([NH2+]C[C@H](C)SC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806148808 1042142505 /nfs/dbraw/zinc/14/25/05/1042142505.db2.gz KSYPPXBXRCNVQC-UFBFGSQYSA-N 0 0 308.274 4.491 20 10 DICDRN Cc1ccc(/C=C/C(=O)N(C)c2cc(Cl)ccc2C)cn1 ZINC000818809888 1042160747 /nfs/dbraw/zinc/16/07/47/1042160747.db2.gz XHIOBNVTDZJDDS-VQHVLOKHSA-N 0 0 300.789 4.028 20 10 DICDRN CCCC[C@H](C)N(CCCC)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000818925406 1042163982 /nfs/dbraw/zinc/16/39/82/1042163982.db2.gz ZUWGJQMXQQGXQS-WQTVUKCASA-N 0 0 319.445 4.318 20 10 DICDRN CC(C)OCC[C@H](O)CNc1ccc(Nc2ccccc2)cc1 ZINC000819396210 1042180087 /nfs/dbraw/zinc/18/00/87/1042180087.db2.gz ZTXWHIVCMRAZBB-IBGZPJMESA-N 0 0 314.429 4.018 20 10 DICDRN CCNC(=O)Nc1cccc(N[C@@H](C)c2ccccc2O)c1C ZINC000278909016 1042186880 /nfs/dbraw/zinc/18/68/80/1042186880.db2.gz VPAKENLKDDCZFC-ZDUSSCGKSA-N 0 0 313.401 4.015 20 10 DICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCC1(C)C ZINC000819978588 1042200050 /nfs/dbraw/zinc/20/00/50/1042200050.db2.gz DMEXGUNAYSUUPL-GOSISDBHSA-N 0 0 314.473 4.072 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)/C=C\C1CCCC1 ZINC001136335292 1042213297 /nfs/dbraw/zinc/21/32/97/1042213297.db2.gz VCHUPQLAUKMRPF-KAMYIIQDSA-N 0 0 314.473 4.236 20 10 DICDRN CC(=O)Nc1ccc(N[C@H](C)c2cc(F)ccc2O)cc1Cl ZINC000317632291 1042235369 /nfs/dbraw/zinc/23/53/69/1042235369.db2.gz WPJGBILQYTXICZ-SECBINFHSA-N 0 0 322.767 4.316 20 10 DICDRN Cc1ccc(C)n1-c1ccc(-c2nc(-c3ocnc3C)no2)cc1 ZINC000820921358 1042236291 /nfs/dbraw/zinc/23/62/91/1042236291.db2.gz BHONMCXFOHPIBO-UHFFFAOYSA-N 0 0 320.352 4.108 20 10 DICDRN CCN(Cc1ccc(Cl)c(OC)c1)c1ccc(OC)cc1 ZINC001167835459 1042247616 /nfs/dbraw/zinc/24/76/16/1042247616.db2.gz QRBFQERFGZHTJT-UHFFFAOYSA-N 0 0 305.805 4.384 20 10 DICDRN CCCCCC[C@H](C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC001136436380 1042248639 /nfs/dbraw/zinc/24/86/39/1042248639.db2.gz VBEZIUIABUNYHV-INIZCTEOSA-N 0 0 316.489 4.292 20 10 DICDRN CCc1nc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])cs1 ZINC000107715813 1042303409 /nfs/dbraw/zinc/30/34/09/1042303409.db2.gz XYXLUYMNDVBJTD-UHFFFAOYSA-N 0 0 317.241 4.008 20 10 DICDRN C[C@]1(C(=O)NCc2ccc(N3CCCCC3)cc2)CC=CCC1 ZINC000822818917 1042302377 /nfs/dbraw/zinc/30/23/77/1042302377.db2.gz KXBDLUNFWHPREZ-FQEVSTJZSA-N 0 0 312.457 4.040 20 10 DICDRN CC[C@@H]([NH2+][C@H](COC)C1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806150015 1042305929 /nfs/dbraw/zinc/30/59/29/1042305929.db2.gz ZZUIKGBPHDIJCN-ZIAGYGMSSA-N 0 0 318.244 4.165 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)C(C)(C)C2CCC2)cc1F ZINC001136729875 1042330519 /nfs/dbraw/zinc/33/05/19/1042330519.db2.gz SOQUIQBMCZJASU-UHFFFAOYSA-N 0 0 320.452 4.114 20 10 DICDRN Cc1ccc(CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])c(C)c1 ZINC001648946079 1042331780 /nfs/dbraw/zinc/33/17/80/1042331780.db2.gz JURRRLBGVVCBEZ-UHFFFAOYSA-N 0 0 307.796 4.134 20 10 DICDRN C[C@H]([NH2+]C[C@H]1CCSC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000279912892 1042354436 /nfs/dbraw/zinc/35/44/36/1042354436.db2.gz HUSBRCTVVFZSCS-DTWKUNHWSA-N 0 0 306.258 4.103 20 10 DICDRN CCCCc1ccc(C(=O)CCC(=O)Nc2ccc(N)cc2)cc1 ZINC000236893811 1042377940 /nfs/dbraw/zinc/37/79/40/1042377940.db2.gz AXNNIYVVMQKSEH-UHFFFAOYSA-N 0 0 324.424 4.213 20 10 DICDRN COc1ccc(CNc2cccc(C(C)(F)F)c2)c(O)c1OC ZINC000893868442 1042394348 /nfs/dbraw/zinc/39/43/48/1042394348.db2.gz PTMVLQPABIDYHU-UHFFFAOYSA-N 0 0 323.339 4.133 20 10 DICDRN CCN(CC)c1ccc(CNc2ccc(OC)c(OC)c2)cc1 ZINC000236938017 1042419179 /nfs/dbraw/zinc/41/91/79/1042419179.db2.gz VBJFLWVKVWDNOR-UHFFFAOYSA-N 0 0 314.429 4.162 20 10 DICDRN COc1cc(C)cc(CNc2ccc(COC(C)C)cc2)c1O ZINC000894108583 1042430700 /nfs/dbraw/zinc/43/07/00/1042430700.db2.gz 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CC[C@@H](Nc1ccc2c(c1)N(C)CCO2)c1ccc(C)cc1O ZINC000794818145 1043063140 /nfs/dbraw/zinc/06/31/40/1043063140.db2.gz QNWJZWRHPUBZLF-MRXNPFEDSA-N 0 0 312.413 4.092 20 10 DICDRN CC[C@H](Nc1ccc(C[NH+](C)C)c(F)c1)c1ccc(C)cc1O ZINC000794818648 1043064298 /nfs/dbraw/zinc/06/42/98/1043064298.db2.gz RZBSUMUJCPZDSW-SFHVURJKSA-N 0 0 316.420 4.465 20 10 DICDRN CC[C@H](Nc1ccc2c(c1)C[C@H](OC)C2)c1ccc(C)cc1O ZINC000794818629 1043064843 /nfs/dbraw/zinc/06/48/43/1043064843.db2.gz XPHKDSNQPBRWPW-MJGOQNOKSA-N 0 0 311.425 4.377 20 10 DICDRN CCC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@H](O)c1ccccc1 ZINC000794834063 1043072235 /nfs/dbraw/zinc/07/22/35/1043072235.db2.gz WWDQFFALOKTPTN-SOVGHPHASA-N 0 0 317.404 4.084 20 10 DICDRN CCC[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])[C@@H](O)c1ccccc1 ZINC000794834061 1043072337 /nfs/dbraw/zinc/07/23/37/1043072337.db2.gz WWDQFFALOKTPTN-FMEYXAORSA-N 0 0 317.404 4.084 20 10 DICDRN CC[C@@H](NC(=S)N[C@H](C)c1ccccc1O)c1cccs1 ZINC000865269701 1043074008 /nfs/dbraw/zinc/07/40/08/1043074008.db2.gz XCDSTOFFZIBFDE-DGCLKSJQSA-N 0 0 320.483 4.130 20 10 DICDRN CN(C)c1ccc(/C=C/CNc2ccccc2OCCF)cc1 ZINC001202519720 1043133340 /nfs/dbraw/zinc/13/33/40/1043133340.db2.gz IPYQLGFHMABQRD-AATRIKPKSA-N 0 0 314.404 4.226 20 10 DICDRN CN(Cc1nc2ccccc2s1)Cc1cc(Cl)ccc1O ZINC000120790923 1043143845 /nfs/dbraw/zinc/14/38/45/1043143845.db2.gz GNKHFXVYHYWBPE-UHFFFAOYSA-N 0 0 318.829 4.287 20 10 DICDRN CCOCCOCc1cccc(N[C@H](C)c2ccccc2O)c1 ZINC000183650377 1043168034 /nfs/dbraw/zinc/16/80/34/1043168034.db2.gz FFDMEQOGQSUFHO-OAHLLOKOSA-N 0 0 315.413 4.118 20 10 DICDRN COCCOc1ccc(N[C@H](C)c2ccccc2O)cc1Cl ZINC000183651846 1043168711 /nfs/dbraw/zinc/16/87/11/1043168711.db2.gz NIQSRNHKMDLQGM-GFCCVEGCSA-N 0 0 321.804 4.244 20 10 DICDRN CCN1C(=O)CCc2cc(N[C@@H](C)c3cc(C)ccc3O)ccc21 ZINC000183914889 1043173961 /nfs/dbraw/zinc/17/39/61/1043173961.db2.gz YUQKGWJQHIESHV-AWEZNQCLSA-N 0 0 324.424 4.173 20 10 DICDRN COc1ccc(N[C@H](C)c2ccccc2O)cc1OC(C)C ZINC000183979305 1043177218 /nfs/dbraw/zinc/17/72/18/1043177218.db2.gz OGJFTESPTAHKDK-CYBMUJFWSA-N 0 0 301.386 4.361 20 10 DICDRN CC[C@@H](Nc1cnn2c1CCCC2)c1cccc(Cl)c1O ZINC000866461452 1043204769 /nfs/dbraw/zinc/20/47/69/1043204769.db2.gz QUYOGVDVCYROGE-CYBMUJFWSA-N 0 0 305.809 4.142 20 10 DICDRN C[C@@H](Nc1cnn2c1CCCC2)c1ccc2ccccc2c1O ZINC000866459959 1043205282 /nfs/dbraw/zinc/20/52/82/1043205282.db2.gz CATUXUKRGVDFBJ-CYBMUJFWSA-N 0 0 307.397 4.251 20 10 DICDRN COc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1Cl ZINC000186120372 1043214956 /nfs/dbraw/zinc/21/49/56/1043214956.db2.gz DOJJJPZSVIRPAO-SNVBAGLBSA-N 0 0 309.768 4.044 20 10 DICDRN COCCOc1ccc(N[C@@H](C)c2cc(C)ccc2O)cc1F ZINC000186288555 1043219371 /nfs/dbraw/zinc/21/93/71/1043219371.db2.gz GTPGDDGXYRVJMZ-ZDUSSCGKSA-N 0 0 319.376 4.038 20 10 DICDRN CCOCc1cccc(N[C@H](C)c2cc(OC)ccc2O)c1 ZINC000186347592 1043220266 /nfs/dbraw/zinc/22/02/66/1043220266.db2.gz MANKDDXCGXUXGD-CYBMUJFWSA-N 0 0 301.386 4.110 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCCOc2c(F)cccc21)c1ccc(F)cc1[O-] ZINC000186506586 1043224629 /nfs/dbraw/zinc/22/46/29/1043224629.db2.gz AJMBCKPXJPZLSU-MEDUHNTESA-N 0 0 319.351 4.235 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)c1cc2cnccc2o1)c1ccc(F)cc1[O-] ZINC000866621681 1043238224 /nfs/dbraw/zinc/23/82/24/1043238224.db2.gz UETLGUDBNVPFMP-IAQYHMDHSA-N 0 0 314.360 4.474 20 10 DICDRN Cc1ccc2c(C(=O)N(C)Cc3ccccc3O)csc2c1 ZINC000794962557 1043254768 /nfs/dbraw/zinc/25/47/68/1043254768.db2.gz QILRVOKOKDJHKR-UHFFFAOYSA-N 0 0 311.406 4.188 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)C[C@H]2C=CCCC2)cc1 ZINC000777446759 1043255518 /nfs/dbraw/zinc/25/55/18/1043255518.db2.gz SOAQMKYNGMVORC-KRWDZBQOSA-N 0 0 314.473 4.238 20 10 DICDRN Cc1csc(C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])n1 ZINC000192639944 1043273193 /nfs/dbraw/zinc/27/31/93/1043273193.db2.gz GDNAGHZNRIPPCJ-MRVPVSSYSA-N 0 0 317.241 4.315 20 10 DICDRN Cc1cccc(C[C@@]2(C)CCCN2C(=O)Nc2ccc(N)cc2)c1 ZINC000868163450 1043273715 /nfs/dbraw/zinc/27/37/15/1043273715.db2.gz PHOZQHKKXYXIHD-HXUWFJFHSA-N 0 0 323.440 4.206 20 10 DICDRN CCN(C)c1ccc([C@H](C)Nc2cnn(CC(C)C)c2)cc1 ZINC000777274791 1043286488 /nfs/dbraw/zinc/28/64/88/1043286488.db2.gz JTRTZKOUCBONIS-HNNXBMFYSA-N 0 0 300.450 4.168 20 10 DICDRN CCOc1cccc(CNc2ccc(SC)cc2OC)c1O ZINC000194497471 1043293796 /nfs/dbraw/zinc/29/37/96/1043293796.db2.gz YRFCGNGUDGPCRD-UHFFFAOYSA-N 0 0 319.426 4.134 20 10 DICDRN Cc1csc2c1ncnc2NCc1ccc(N2CCCC2)cc1 ZINC000795078285 1043314411 /nfs/dbraw/zinc/31/44/11/1043314411.db2.gz VNLRDPMXTGGHMU-UHFFFAOYSA-N 0 0 324.453 4.212 20 10 DICDRN COc1ccccc1CN(Cc1ccco1)Cc1ccccc1O ZINC000123312420 1043356745 /nfs/dbraw/zinc/35/67/45/1043356745.db2.gz FNJZQCZRCNJJFF-UHFFFAOYSA-N 0 0 323.392 4.196 20 10 DICDRN Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)Nc1ccc(N)cc1 ZINC000269127141 1043358233 /nfs/dbraw/zinc/35/82/33/1043358233.db2.gz MPCFEZCGJYQGDB-AWEZNQCLSA-N 0 0 311.429 4.286 20 10 DICDRN CC(C)C[C@@H](C(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000871202273 1043366868 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ZINC000872114379 1043464652 /nfs/dbraw/zinc/46/46/52/1043464652.db2.gz YAGQBFKDINHRJO-QMMMGPOBSA-N 0 0 317.241 4.315 20 10 DICDRN CCCOc1ccc(CNCc2cnc(CCC)o2)cc1C ZINC000873129646 1043516180 /nfs/dbraw/zinc/51/61/80/1043516180.db2.gz OWWGRCUOBBYSGY-UHFFFAOYSA-N 0 0 302.418 4.014 20 10 DICDRN CCCOc1ccc(CNCc2ncc(Cl)s2)cc1C ZINC000873165479 1043521753 /nfs/dbraw/zinc/52/17/53/1043521753.db2.gz UTYUVPCNFVEJGR-UHFFFAOYSA-N 0 0 310.850 4.184 20 10 DICDRN CC1(C)C[C@H](c2ccccc2)CN1C(=O)Nc1ccc(N)cc1 ZINC000926140958 1043535051 /nfs/dbraw/zinc/53/50/51/1043535051.db2.gz CRCNVVIAOQVDTD-HNNXBMFYSA-N 0 0 309.413 4.069 20 10 DICDRN Cc1ccc(NCc2cccc(C)c2O)c(Br)c1 ZINC000124636637 1043559918 /nfs/dbraw/zinc/55/99/18/1043559918.db2.gz PIAOFQMDIGGXDC-UHFFFAOYSA-N 0 0 306.203 4.384 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2C[C@@]2(C)C(C)C)cc1 ZINC001275154105 1043580083 /nfs/dbraw/zinc/58/00/83/1043580083.db2.gz YYYPVGPOFXNGAV-ICSRJNTNSA-N 0 0 310.441 4.259 20 10 DICDRN CCC[C@H](CC(C)C)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000825736613 1043580652 /nfs/dbraw/zinc/58/06/52/1043580652.db2.gz DHHLIEUGZNDIPM-ZIAGYGMSSA-N 0 0 307.434 4.040 20 10 DICDRN Cc1cc(CC(=O)N(C)C(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000875118390 1043615518 /nfs/dbraw/zinc/61/55/18/1043615518.db2.gz NWMRWYLHUDSNII-UHFFFAOYSA-N 0 0 318.848 4.157 20 10 DICDRN C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)c1cccc(C2CC2)c1 ZINC000875628384 1043632676 /nfs/dbraw/zinc/63/26/76/1043632676.db2.gz ZDKMSJLBUVTIHI-CYBMUJFWSA-N 0 0 322.408 4.056 20 10 DICDRN Cc1cnc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])c(C)c1 ZINC000926961669 1043664957 /nfs/dbraw/zinc/66/49/57/1043664957.db2.gz WSTZIWXLDYYFAY-LBPRGKRZSA-N 0 0 324.346 4.274 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccc(F)cc1F ZINC000877049077 1043738156 /nfs/dbraw/zinc/73/81/56/1043738156.db2.gz APOLZSUEIMKVIX-CQSZACIVSA-N 0 0 313.294 4.190 20 10 DICDRN Cc1ccc(SCCC(=O)N(C)c2ccc(N)cc2)cc1C ZINC000877080112 1043743207 /nfs/dbraw/zinc/74/32/07/1043743207.db2.gz 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CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2c([O-])cccc2F)cc1 ZINC000886495002 1044645845 /nfs/dbraw/zinc/64/58/45/1044645845.db2.gz DGWHNICTWBCFBK-OLZOCXBDSA-N 0 0 303.377 4.342 20 10 DICDRN CC(C)CC(=O)Nc1ccc(N[C@H]2CCc3cccc(O)c32)cc1 ZINC000296789504 1044646239 /nfs/dbraw/zinc/64/62/39/1044646239.db2.gz LANFZGJWQXWJNR-KRWDZBQOSA-N 0 0 324.424 4.476 20 10 DICDRN COc1ccc([C@@H]([NH2+][C@H](C)c2c([O-])cccc2F)C2CC2)cc1 ZINC000886495238 1044648350 /nfs/dbraw/zinc/64/83/50/1044648350.db2.gz OQNZFPPASNPGFM-BLVKFPJESA-N 0 0 315.388 4.342 20 10 DICDRN CC(C)Oc1ccc(C[NH2+][C@H](C)c2c([O-])cccc2F)cc1 ZINC000886501614 1044648725 /nfs/dbraw/zinc/64/87/25/1044648725.db2.gz RBTJZCCPTDQUPG-CYBMUJFWSA-N 0 0 303.377 4.169 20 10 DICDRN Cc1cccnc1[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)C(C)C ZINC000886528002 1044653982 /nfs/dbraw/zinc/65/39/82/1044653982.db2.gz DXATZIQZICVCPQ-SUMWQHHRSA-N 0 0 302.393 4.283 20 10 DICDRN CC(C)COC[C@@H](N[C@H](C)c1c(O)cccc1F)c1ccco1 ZINC000886521181 1044655172 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Cc1ccc(O)c([C@@H](C)Nc2cccc([C@@H]3CCCC(=O)N3)c2)c1 ZINC000886806675 1044704875 /nfs/dbraw/zinc/70/48/75/1044704875.db2.gz XLMUAAHAUKHSHO-KDOFPFPSSA-N 0 0 324.424 4.215 20 10 DICDRN Cc1cc(N(C)C)ccc1CNCc1coc(-c2ccccc2)n1 ZINC000156146603 1044770204 /nfs/dbraw/zinc/77/02/04/1044770204.db2.gz YNTJPQOMSNPWMR-UHFFFAOYSA-N 0 0 321.424 4.006 20 10 DICDRN CC[C@@H](Nc1cc(F)ccc1OCCOC)c1ccccc1O ZINC000157703259 1044939228 /nfs/dbraw/zinc/93/92/28/1044939228.db2.gz JBVYAFXRZXCGIX-OAHLLOKOSA-N 0 0 319.376 4.120 20 10 DICDRN CCN(CC)c1ccc(CNC(C)(C)c2nccs2)cc1F ZINC000152272206 1045038428 /nfs/dbraw/zinc/03/84/28/1045038428.db2.gz CUNKMXCADRFINC-UHFFFAOYSA-N 0 0 321.465 4.153 20 10 DICDRN Cc1ccc(NC(=O)N(C)Cc2ccccc2O)c(Cl)c1 ZINC000047326775 1045043873 /nfs/dbraw/zinc/04/38/73/1045043873.db2.gz JATONOCWAMCUJG-UHFFFAOYSA-N 0 0 304.777 4.018 20 10 DICDRN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)c2ccc[nH]2)c1O ZINC000779041718 1045195940 /nfs/dbraw/zinc/19/59/40/1045195940.db2.gz UKYULBRRECTRCR-MNOVXSKESA-N 0 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/nfs/dbraw/zinc/88/06/70/1045880670.db2.gz JNJXLSCPMFNJDM-INIZCTEOSA-N 0 0 306.450 4.283 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C1CCC(F)(F)CC1 ZINC000688512707 1045891640 /nfs/dbraw/zinc/89/16/40/1045891640.db2.gz KWHQIKONWCZEJL-UHFFFAOYSA-N 0 0 310.171 4.367 20 10 DICDRN CC(C)CCn1ncc(NC(=O)C2=CC(=O)CS2)c1C(C)C ZINC000754767478 1045925988 /nfs/dbraw/zinc/92/59/88/1045925988.db2.gz KVWIIKVXKQZZAR-UHFFFAOYSA-N 0 0 321.446 4.072 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1[C@H](C)CCC[C@@H]1C ZINC000754926012 1045937955 /nfs/dbraw/zinc/93/79/55/1045937955.db2.gz GKJOWHRXDBQISI-HWWDLCQESA-N 0 0 318.461 4.139 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)NC1[C@H](C)CCC[C@H]1C ZINC000754926003 1045938999 /nfs/dbraw/zinc/93/89/99/1045938999.db2.gz GKJOWHRXDBQISI-HUUCEWRRSA-N 0 0 318.461 4.139 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)NCC(C)(C)CC ZINC000802304474 1045948780 /nfs/dbraw/zinc/94/87/80/1045948780.db2.gz HGMCTJVVIGGSBY-UHFFFAOYSA-N 0 0 306.450 4.140 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CC[C@@H](C)C1 ZINC000802309888 1045952252 /nfs/dbraw/zinc/95/22/52/1045952252.db2.gz HXHGQCNCWDVAEM-CVEARBPZSA-N 0 0 318.461 4.140 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[C@H]1C ZINC000802314229 1045954125 /nfs/dbraw/zinc/95/41/25/1045954125.db2.gz ANXCDQMENYYYHX-CVEARBPZSA-N 0 0 318.461 4.140 20 10 DICDRN C[C@@H](CCCC(F)(F)F)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000755222304 1045964128 /nfs/dbraw/zinc/96/41/28/1045964128.db2.gz ARNLDVPHSNDDEP-QMMMGPOBSA-N 0 0 313.722 4.395 20 10 DICDRN CCC[C@@H](C(=O)c1ccccc1)N(C)Cc1c(O)cccc1F ZINC001137841315 1045981063 /nfs/dbraw/zinc/98/10/63/1045981063.db2.gz ABVZRLFCXANMNU-KRWDZBQOSA-N 0 0 315.388 4.015 20 10 DICDRN Oc1cccc(F)c1CN1CCC[C@@H]1c1cc(F)ccc1F ZINC001137837328 1045981702 /nfs/dbraw/zinc/98/17/02/1045981702.db2.gz BLELFGGIQYTHAA-MRXNPFEDSA-N 0 0 307.315 4.147 20 10 DICDRN Cc1cc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c(C)n1-c1ccccc1 ZINC001137854220 1045985092 /nfs/dbraw/zinc/98/50/92/1045985092.db2.gz NINZKIXKMQTTJQ-WIYYLYMNSA-N 0 0 324.468 4.095 20 10 DICDRN Cc1cc(CN(C)Cc2cncs2)c(C)n1-c1ccccc1 ZINC001137858981 1045987974 /nfs/dbraw/zinc/98/79/74/1045987974.db2.gz DDVLLBQWUTZXRJ-UHFFFAOYSA-N 0 0 311.454 4.183 20 10 DICDRN CC1(C)CCC[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000755511394 1045994106 /nfs/dbraw/zinc/99/41/06/1045994106.db2.gz SEDHMNMXQYCCJI-QGZVFWFLSA-N 0 0 314.473 4.119 20 10 DICDRN CC(C)c1ccc(CCC(=O)N(C)Cc2ccccc2O)cc1 ZINC000080133770 1045994374 /nfs/dbraw/zinc/99/43/74/1045994374.db2.gz DQOFGTZMMIHCCS-UHFFFAOYSA-N 0 0 311.425 4.107 20 10 DICDRN COc1cc(SC)ccc1N[C@@H](C)c1cc(F)ccc1O ZINC000193439866 1046013911 /nfs/dbraw/zinc/01/39/11/1046013911.db2.gz UHUJSQZBYVTIGO-JTQLQIEISA-N 0 0 307.390 4.435 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]CC1CC(c2ccccc2)C1 ZINC000802660009 1046031087 /nfs/dbraw/zinc/03/10/87/1046031087.db2.gz WLRJOGIJXLREMC-UHFFFAOYSA-N 0 0 301.817 4.329 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000755970387 1046033199 /nfs/dbraw/zinc/03/31/99/1046033199.db2.gz CHGVOQBDWKMKDF-OAHLLOKOSA-N 0 0 303.446 4.347 20 10 DICDRN Clc1cccnc1NCc1ccc(N2CCCCC2)cc1 ZINC000756120417 1046054247 /nfs/dbraw/zinc/05/42/47/1046054247.db2.gz SCXRGEWOGNJSGW-UHFFFAOYSA-N 0 0 301.821 4.337 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCCc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000756340124 1046065762 /nfs/dbraw/zinc/06/57/62/1046065762.db2.gz DGUKWLGLYNEPAB-APPDUMDISA-N 0 0 303.352 4.399 20 10 DICDRN CCC(CC)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756344940 1046066368 /nfs/dbraw/zinc/06/63/68/1046066368.db2.gz VERJUMHQFYCPTB-QMMMGPOBSA-N 0 0 304.203 4.133 20 10 DICDRN CCC[C@H](C)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756343262 1046066531 /nfs/dbraw/zinc/06/65/31/1046066531.db2.gz YOACLVMAMHNBKB-DTWKUNHWSA-N 0 0 304.203 4.133 20 10 DICDRN C[C@H]([NH2+]C1CCCCC1)c1cc(Br)cc(F)c1[O-] ZINC000756354402 1046069865 /nfs/dbraw/zinc/06/98/65/1046069865.db2.gz ARLLEJUHROUEGM-VIFPVBQESA-N 0 0 316.214 4.277 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])c1ccc(OC)cc1 ZINC000756357662 1046070462 /nfs/dbraw/zinc/07/04/62/1046070462.db2.gz OHZYTNXZDAPJJV-PIGZYNQJSA-N 0 0 321.367 4.481 20 10 DICDRN C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)c1cc(F)cc(F)c1[O-] ZINC000756366059 1046072421 /nfs/dbraw/zinc/07/24/21/1046072421.db2.gz DORDPADTUCWHHR-DIFFPNOSSA-N 0 0 303.352 4.472 20 10 DICDRN CC(C)Oc1ccc(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000756385638 1046073448 /nfs/dbraw/zinc/07/34/48/1046073448.db2.gz UNKSGDBIAIUAID-CQSZACIVSA-N 0 0 317.404 4.212 20 10 DICDRN CC(C)Oc1ccc(CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000756385637 1046074937 /nfs/dbraw/zinc/07/49/37/1046074937.db2.gz UNKSGDBIAIUAID-AWEZNQCLSA-N 0 0 317.404 4.212 20 10 DICDRN Cc1ccc(CC[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])o1 ZINC000756407625 1046075979 /nfs/dbraw/zinc/07/59/79/1046075979.db2.gz CYKHEOJENCQQGH-JTQLQIEISA-N 0 0 314.212 4.494 20 10 DICDRN COc1cccc([C@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756434176 1046080471 /nfs/dbraw/zinc/08/04/71/1046080471.db2.gz IYMSUPGTNFTWNF-WDEREUQCSA-N 0 0 307.340 4.091 20 10 DICDRN COc1cccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756434174 1046081014 /nfs/dbraw/zinc/08/10/14/1046081014.db2.gz IYMSUPGTNFTWNF-MNOVXSKESA-N 0 0 307.340 4.091 20 10 DICDRN C[C@@H]([NH2+]CCCCN(C)c1ccccc1)c1ccc(F)cc1[O-] ZINC000756442157 1046082662 /nfs/dbraw/zinc/08/26/62/1046082662.db2.gz ADFSJOBRYRJXOH-OAHLLOKOSA-N 0 0 316.420 4.099 20 10 DICDRN C[C@@H]([NH2+]Cc1ccc2ccccc2c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756455421 1046084783 /nfs/dbraw/zinc/08/47/83/1046084783.db2.gz KNKVOKRBMNXLKC-CYBMUJFWSA-N 0 0 322.364 4.304 20 10 DICDRN CCc1nc2cc(N[C@@H](C)c3cc(OC)ccc3O)ccc2o1 ZINC000193928399 1046086513 /nfs/dbraw/zinc/08/65/13/1046086513.db2.gz JKLPMDFKKBZYMV-NSHDSACASA-N 0 0 312.369 4.278 20 10 DICDRN C[C@H]([NH2+][C@H]1CCc2c1cccc2F)c1cc(F)cc(F)c1[O-] ZINC000756489700 1046088439 /nfs/dbraw/zinc/08/84/39/1046088439.db2.gz IKMHENLEXMEXAY-FVMDXXJSSA-N 0 0 307.315 4.148 20 10 DICDRN C[C@@H]([NH2+]Cc1cccc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756497411 1046090886 /nfs/dbraw/zinc/09/08/86/1046090886.db2.gz UKPZLDJVPOPFHC-CYBMUJFWSA-N 0 0 322.364 4.304 20 10 DICDRN COc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756498621 1046091888 /nfs/dbraw/zinc/09/18/88/1046091888.db2.gz YGKMASVPTDPEGR-QWRGUYRKSA-N 0 0 307.340 4.091 20 10 DICDRN CCOc1cccc([C@@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756496049 1046092680 /nfs/dbraw/zinc/09/26/80/1046092680.db2.gz MLQHBCGCMDTGKG-VXGBXAGGSA-N 0 0 321.367 4.481 20 10 DICDRN C[C@H](CCc1ccc(O)cc1)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756532677 1046096152 /nfs/dbraw/zinc/09/61/52/1046096152.db2.gz GKMJCOUGCCDZGW-VXGBXAGGSA-N 0 0 321.367 4.048 20 10 DICDRN Cc1cc(CN(C)Cc2cscn2)c(O)c(C(C)(C)C)c1 ZINC000194427559 1046099219 /nfs/dbraw/zinc/09/92/19/1046099219.db2.gz OOWUQZXDQWEWHF-UHFFFAOYSA-N 0 0 304.459 4.087 20 10 DICDRN Cc1ccccc1OCCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756547753 1046099168 /nfs/dbraw/zinc/09/91/68/1046099168.db2.gz HBTYTSGHJMKEQE-ZDUSSCGKSA-N 0 0 321.367 4.099 20 10 DICDRN C[C@H]([NH2+]CCCc1c[nH]c2ccccc12)c1ccc(F)cc1[O-] ZINC000756557020 1046100878 /nfs/dbraw/zinc/10/08/78/1046100878.db2.gz ZKSLENMIGQTSQX-ZDUSSCGKSA-N 0 0 312.388 4.296 20 10 DICDRN C[C@@H]([NH2+]CC(C)(C)c1cccs1)c1cc(F)cc(F)c1[O-] ZINC000756571807 1046102426 /nfs/dbraw/zinc/10/24/26/1046102426.db2.gz KQSWCGSCPNZIJC-SNVBAGLBSA-N 0 0 311.397 4.360 20 10 DICDRN CC[C@H](C)[C@@](C)(O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756578684 1046102872 /nfs/dbraw/zinc/10/28/72/1046102872.db2.gz XFPLXDTVIKYUAX-WMFXKJRFSA-N 0 0 320.260 4.147 20 10 DICDRN CCC[C@H](C(=O)c1ccccc1)[N@H+](C)Cc1cccc(F)c1[O-] ZINC001138131173 1046105871 /nfs/dbraw/zinc/10/58/71/1046105871.db2.gz SEKXJEZNMWBCDI-QGZVFWFLSA-N 0 0 315.388 4.015 20 10 DICDRN C[C@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)c1ccc(F)cc1[O-] ZINC000756591986 1046106436 /nfs/dbraw/zinc/10/64/36/1046106436.db2.gz RDCSZANMNKYXQH-NSHDSACASA-N 0 0 316.351 4.045 20 10 DICDRN [O-]c1c(F)cccc1C[NH+]1CCC(c2ccc(F)cc2F)CC1 ZINC001138131275 1046106550 /nfs/dbraw/zinc/10/65/50/1046106550.db2.gz UXUWLDUCJZNPJN-UHFFFAOYSA-N 0 0 321.342 4.189 20 10 DICDRN Cc1ccc(CC[C@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])o1 ZINC000756609305 1046107407 /nfs/dbraw/zinc/10/74/07/1046107407.db2.gz MPXUZASWXKPQMN-JQWIXIFHSA-N 0 0 309.356 4.244 20 10 DICDRN Cc1ccccc1O[C@H](C)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756606789 1046108060 /nfs/dbraw/zinc/10/80/60/1046108060.db2.gz DHIDCTKPANPDBD-CHWSQXEVSA-N 0 0 321.367 4.097 20 10 DICDRN CO[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccc(Cl)cc1 ZINC000756615026 1046109717 /nfs/dbraw/zinc/10/97/17/1046109717.db2.gz VBWPWPPEYLXBER-GTNSWQLSSA-N 0 0 323.795 4.223 20 10 DICDRN COc1ccc([C@H](C)CC[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000756611934 1046110818 /nfs/dbraw/zinc/11/08/18/1046110818.db2.gz KISRNUSLFLUZIT-ZIAGYGMSSA-N 0 0 317.404 4.384 20 10 DICDRN C[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccc(F)cc1F ZINC000756621381 1046111882 /nfs/dbraw/zinc/11/18/82/1046111882.db2.gz PTKPURLOJXBHMA-WDEREUQCSA-N 0 0 309.331 4.264 20 10 DICDRN CO[C@@H](C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-])C(C)(C)C ZINC000756628019 1046112095 /nfs/dbraw/zinc/11/20/95/1046112095.db2.gz UPCLJYDDONZGMF-SKDRFNHKSA-N 0 0 320.260 4.411 20 10 DICDRN C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1F)c1ccc(F)cc1[O-] ZINC000756621375 1046112183 /nfs/dbraw/zinc/11/21/83/1046112183.db2.gz PTKPURLOJXBHMA-GHMZBOCLSA-N 0 0 309.331 4.264 20 10 DICDRN Cc1cc(C(=O)NC23CCC(CC2)C3)c(C)n1-c1ccccc1C ZINC001138184168 1046113856 /nfs/dbraw/zinc/11/38/56/1046113856.db2.gz JPVCPOVZPMRONI-UHFFFAOYSA-N 0 0 322.452 4.465 20 10 DICDRN C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1cc(Br)cc(F)c1[O-] ZINC000756684346 1046120073 /nfs/dbraw/zinc/12/00/73/1046120073.db2.gz NMDUFDKQDCOTBD-ZDMBXUJBSA-N 0 0 316.214 4.133 20 10 DICDRN CC(C)=CCCNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC001138212440 1046120874 /nfs/dbraw/zinc/12/08/74/1046120874.db2.gz WUABCLJSHYMUKY-UHFFFAOYSA-N 0 0 310.441 4.489 20 10 DICDRN C[C@@H]([NH2+][C@H]1CC=CCC1)c1cc(Br)c(F)cc1[O-] ZINC000756734562 1046122514 /nfs/dbraw/zinc/12/25/14/1046122514.db2.gz XTKPPDZIDRDIDV-ZJUUUORDSA-N 0 0 314.198 4.053 20 10 DICDRN C[C@@H]([NH2+]C1CC(C)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000756737376 1046124466 /nfs/dbraw/zinc/12/44/66/1046124466.db2.gz UOHQHIBYWBFLLP-CCNFQMFXSA-N 0 0 318.642 4.257 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC000756748059 1046126201 /nfs/dbraw/zinc/12/62/01/1046126201.db2.gz VDSKZQHHDSBBJY-RJAOAUJVSA-N 0 0 315.388 4.135 20 10 DICDRN Cc1ccc(C(=O)NC2CCC3(CCCCC3)CC2)c(O)c1O ZINC001138247255 1046127741 /nfs/dbraw/zinc/12/77/41/1046127741.db2.gz HSKDFMNMCOYEKR-UHFFFAOYSA-N 0 0 317.429 4.029 20 10 DICDRN C[C@H](Nc1cccc(F)c1)c1ccc(Br)cc1O ZINC000756795789 1046137094 /nfs/dbraw/zinc/13/70/94/1046137094.db2.gz LTBGSPODWTWPHY-VIFPVBQESA-N 0 0 310.166 4.467 20 10 DICDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2CCCC(C)(C)C2)c1 ZINC000756766287 1046129397 /nfs/dbraw/zinc/12/93/97/1046129397.db2.gz LTHOXFUSIPTYOO-KBPBESRZSA-N 0 0 319.445 4.185 20 10 DICDRN COc1cccc2c1CN(Cc1c(C)n(C)c3ccccc31)CC2 ZINC001138252907 1046130036 /nfs/dbraw/zinc/13/00/36/1046130036.db2.gz XJLNXAQCHHOADA-UHFFFAOYSA-N 0 0 320.436 4.054 20 10 DICDRN Cc1c(CN2CCCC[C@@H]2C(F)(F)F)c2ccccc2n1C ZINC001138256679 1046130084 /nfs/dbraw/zinc/13/00/84/1046130084.db2.gz GODXNVDFNDGDMH-MRXNPFEDSA-N 0 0 310.363 4.404 20 10 DICDRN COc1cccc2c1CN(Cc1c(C)n(C)c3ccccc31)C2 ZINC001138258276 1046132542 /nfs/dbraw/zinc/13/25/42/1046132542.db2.gz ODHFHHIJXVMQIZ-UHFFFAOYSA-N 0 0 306.409 4.011 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)N(CC)[C@@H](C)C(C)C)cc1 ZINC000195720385 1046133340 /nfs/dbraw/zinc/13/33/40/1046133340.db2.gz OYSYCLSLMVZPFC-INIZCTEOSA-N 0 0 319.493 4.109 20 10 DICDRN COc1ccc(C[C@H](C)C[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000756783767 1046133631 /nfs/dbraw/zinc/13/36/31/1046133631.db2.gz IUKZXEXAQSTVCL-UONOGXRCSA-N 0 0 317.404 4.069 20 10 DICDRN CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756788907 1046134938 /nfs/dbraw/zinc/13/49/38/1046134938.db2.gz YKEDEYCJOCQZPY-OUJBWJOFSA-N 0 0 318.244 4.165 20 10 DICDRN COc1ccc(N[C@@H](C)c2ccc(C)c(C)c2O)c(OC)c1 ZINC000756790842 1046135150 /nfs/dbraw/zinc/13/51/50/1046135150.db2.gz SCEUTLCXXWRNEC-ZDUSSCGKSA-N 0 0 301.386 4.199 20 10 DICDRN COc1cc(F)ccc1N[C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756793015 1046135527 /nfs/dbraw/zinc/13/55/27/1046135527.db2.gz SQIADKMPDDUPSH-TVQRCGJNSA-N 0 0 305.324 4.339 20 10 DICDRN CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756788206 1046135898 /nfs/dbraw/zinc/13/58/98/1046135898.db2.gz BTVURISFNFYPNQ-PZROIBLQSA-N 0 0 321.367 4.097 20 10 DICDRN CCOc1ccc(N[C@@H](C)c2cc(F)cc(F)c2O)cc1F ZINC000756815452 1046138910 /nfs/dbraw/zinc/13/89/10/1046138910.db2.gz QHNHDOQHZGKOCR-VIFPVBQESA-N 0 0 311.303 4.381 20 10 DICDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2cccc(Cl)c2)c1 ZINC000756818924 1046140626 /nfs/dbraw/zinc/14/06/26/1046140626.db2.gz QHOHVZGKJPKJOX-SNVBAGLBSA-N 0 0 305.761 4.005 20 10 DICDRN COCCOc1cccc(N[C@@H](C)c2cc(Cl)ccc2O)c1 ZINC000756820475 1046140855 /nfs/dbraw/zinc/14/08/55/1046140855.db2.gz SDNLCGLPZSNFQI-LBPRGKRZSA-N 0 0 321.804 4.244 20 10 DICDRN COCCOc1cccc(N[C@@H](C)c2ccc(C)c(C)c2O)c1 ZINC000756817829 1046140962 /nfs/dbraw/zinc/14/09/62/1046140962.db2.gz CNMHNNCBORGKJD-HNNXBMFYSA-N 0 0 315.413 4.207 20 10 DICDRN C[C@@H](Nc1ccc(OCC2CC2)cc1)c1ccc(F)cc1O ZINC000756834732 1046141771 /nfs/dbraw/zinc/14/17/71/1046141771.db2.gz JFLQFRVFNFWIDS-GFCCVEGCSA-N 0 0 301.361 4.493 20 10 DICDRN CN(C)C(=O)Sc1cccc(CSc2nccs2)c1 ZINC000084460373 1046142118 /nfs/dbraw/zinc/14/21/18/1046142118.db2.gz ABZTXDJNODANCL-UHFFFAOYSA-N 0 0 310.469 4.209 20 10 DICDRN C[C@H](NC(=O)C(C1CCC1)C1CCC1)c1ccc(N(C)C)cc1 ZINC000803120505 1046142836 /nfs/dbraw/zinc/14/28/36/1046142836.db2.gz JEPGZHWQGAPRFI-AWEZNQCLSA-N 0 0 314.473 4.146 20 10 DICDRN CC(C)Cn1cc(N[C@H](C)c2cc3c(cc2O)CCCC3)cn1 ZINC000756855000 1046144517 /nfs/dbraw/zinc/14/45/17/1046144517.db2.gz IZCQHMIMQIWDEW-CQSZACIVSA-N 0 0 313.445 4.297 20 10 DICDRN CCCCCC(C)(C)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000084631652 1046145198 /nfs/dbraw/zinc/14/51/98/1046145198.db2.gz CYSDBZKCHRJYRO-CYBMUJFWSA-N 0 0 307.434 4.185 20 10 DICDRN COc1ccc(F)cc1N[C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756856185 1046145828 /nfs/dbraw/zinc/14/58/28/1046145828.db2.gz KHYMRUHMRJOHGH-RNCFNFMXSA-N 0 0 305.324 4.339 20 10 DICDRN CC(=O)Nc1ccc(N[C@@H](C)c2cc(Cl)ccc2O)cc1C ZINC000756862907 1046145881 /nfs/dbraw/zinc/14/58/81/1046145881.db2.gz FOXDYDBTOSMKHV-NSHDSACASA-N 0 0 318.804 4.486 20 10 DICDRN COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(C3CC3)cc2)c1 ZINC000756873701 1046147500 /nfs/dbraw/zinc/14/75/00/1046147500.db2.gz IUIKGTLIPXAGCE-LBPRGKRZSA-N 0 0 311.381 4.229 20 10 DICDRN CCCCn1ncc(N[C@H](C)c2cc(F)cc(F)c2O)c1C ZINC000756872180 1046147547 /nfs/dbraw/zinc/14/75/47/1046147547.db2.gz CHPGRZLKWLWOLT-SNVBAGLBSA-N 0 0 309.360 4.149 20 10 DICDRN C[C@@H]1C[C@H](Nc2ccc(N(C)C)cc2)c2c1c(F)ccc2O ZINC000756869860 1046147978 /nfs/dbraw/zinc/14/79/78/1046147978.db2.gz DQJYYAFMYCMPNH-ABAIWWIYSA-N 0 0 300.377 4.258 20 10 DICDRN COc1ccc(N[C@@H](C)c2cc(C)ccc2O)c2cccnc12 ZINC000756890662 1046149302 /nfs/dbraw/zinc/14/93/02/1046149302.db2.gz AMDPCJBWXQKTFS-ZDUSSCGKSA-N 0 0 308.381 4.431 20 10 DICDRN O=C(Nc1cccc(N2CCCC2)c1)c1cc(F)cc(Cl)c1 ZINC000756917089 1046151722 /nfs/dbraw/zinc/15/17/22/1046151722.db2.gz NNKNECGJGRFJSI-UHFFFAOYSA-N 0 0 318.779 4.332 20 10 DICDRN C[C@@H](Nc1ccc2c(c1)N(C)CCO2)c1cc(Cl)ccc1O ZINC000757609324 1046193111 /nfs/dbraw/zinc/19/31/11/1046193111.db2.gz SUWPVWHGAXGBAO-LLVKDONJSA-N 0 0 318.804 4.047 20 10 DICDRN C[C@H](Nc1ccc2c(c1)N(C)CCO2)c1cc(Cl)ccc1O ZINC000757609325 1046193794 /nfs/dbraw/zinc/19/37/94/1046193794.db2.gz SUWPVWHGAXGBAO-NSHDSACASA-N 0 0 318.804 4.047 20 10 DICDRN C[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000757635897 1046195726 /nfs/dbraw/zinc/19/57/26/1046195726.db2.gz BBEOFUZZDJPSLP-GARJFASQSA-N 0 0 318.244 4.165 20 10 DICDRN C[C@H](Nc1cccc2c1OCO2)c1ccc2ccccc2c1O ZINC000757656534 1046197449 /nfs/dbraw/zinc/19/74/49/1046197449.db2.gz AZFDFNREVYKICI-LBPRGKRZSA-N 0 0 307.349 4.447 20 10 DICDRN COc1ccc([C@@H](C)[NH2+][C@H](C)c2c([O-])cccc2F)cc1C ZINC000903234770 1046201798 /nfs/dbraw/zinc/20/17/98/1046201798.db2.gz QYJWCRUKYAWDPF-CHWSQXEVSA-N 0 0 303.377 4.260 20 10 DICDRN CN(C)c1ccc(OCc2cc(-c3cccs3)on2)cc1 ZINC000757704679 1046204099 /nfs/dbraw/zinc/20/40/99/1046204099.db2.gz NFHYUNDIFZFNKB-UHFFFAOYSA-N 0 0 300.383 4.048 20 10 DICDRN CCc1noc(C)c1CN1CCCc2cc(OC(F)F)ccc21 ZINC000757819966 1046217104 /nfs/dbraw/zinc/21/71/04/1046217104.db2.gz KURGPFADVZVFRU-UHFFFAOYSA-N 0 0 322.355 4.100 20 10 DICDRN CCC(=O)N1CCc2ccc(N[C@H](C)c3cc(C)ccc3O)cc21 ZINC000903280989 1046220408 /nfs/dbraw/zinc/22/04/08/1046220408.db2.gz XOHDPYOKOWMBDT-CQSZACIVSA-N 0 0 324.424 4.173 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CC(C1CC1)C1CC1 ZINC000088455480 1046230521 /nfs/dbraw/zinc/23/05/21/1046230521.db2.gz HTGMZZZQPYAMQO-UHFFFAOYSA-N 0 0 300.229 4.225 20 10 DICDRN CCC(=O)Nc1ccc(C)c(N[C@H](C)c2cc(F)ccc2O)c1 ZINC000321477052 1046232883 /nfs/dbraw/zinc/23/28/83/1046232883.db2.gz GCJCOWJJTMWUSQ-GFCCVEGCSA-N 0 0 316.376 4.361 20 10 DICDRN CC[C@@H](NCc1nc(C(C)(C)C)co1)c1ccc(N(C)C)cc1 ZINC000903313789 1046237734 /nfs/dbraw/zinc/23/77/34/1046237734.db2.gz ZEXFZGAYPUGIOE-MRXNPFEDSA-N 0 0 315.461 4.279 20 10 DICDRN C[N@H+](Cc1c(Cl)[nH]c2ccccc21)Cc1ccccc1O ZINC001138688365 1046270324 /nfs/dbraw/zinc/27/03/24/1046270324.db2.gz BVIZLSRUIWTBNU-UHFFFAOYSA-N 0 0 300.789 4.159 20 10 DICDRN Cc1ccc(O)c(CNc2ncc(Cc3ccccc3)s2)c1 ZINC000758450472 1046270778 /nfs/dbraw/zinc/27/07/78/1046270778.db2.gz UHYZSNCBEDYYEE-UHFFFAOYSA-N 0 0 310.422 4.360 20 10 DICDRN Clc1ccc2nc(-c3ccc(N4CCCCC4)cc3)[nH]c2n1 ZINC000758463925 1046272789 /nfs/dbraw/zinc/27/27/89/1046272789.db2.gz JARUGJOZGYAKSA-UHFFFAOYSA-N 0 0 312.804 4.269 20 10 DICDRN Cc1ncccc1CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000903418841 1046272774 /nfs/dbraw/zinc/27/27/74/1046272774.db2.gz OVOJRDSLHSPVST-GFCCVEGCSA-N 0 0 324.346 4.008 20 10 DICDRN CC[C@H]([NH2+]CCc1cccnc1C)c1cccc(Cl)c1[O-] ZINC000903418144 1046273542 /nfs/dbraw/zinc/27/35/42/1046273542.db2.gz IKTIRYPPDSCLDC-INIZCTEOSA-N 0 0 304.821 4.032 20 10 DICDRN CCN(C(=O)/C=C\c1ccc(Cl)nc1)c1ccccc1C ZINC000758490972 1046274266 /nfs/dbraw/zinc/27/42/66/1046274266.db2.gz IKMJWSWRXYXPDS-LUAWRHEFSA-N 0 0 300.789 4.110 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000758724194 1046288668 /nfs/dbraw/zinc/28/86/68/1046288668.db2.gz KJNRLNXVUXZXHQ-ZMSDIMECSA-N 0 0 318.461 4.139 20 10 DICDRN CC(C)Cc1ccc(C(=O)CCC(=O)Nc2ccc(N)cc2)cc1 ZINC000832250464 1046297723 /nfs/dbraw/zinc/29/77/23/1046297723.db2.gz SFBDQGOZGMSVIS-UHFFFAOYSA-N 0 0 324.424 4.069 20 10 DICDRN CCC(CC)CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000759118224 1046321962 /nfs/dbraw/zinc/32/19/62/1046321962.db2.gz RIWRXIQMXVWFCG-UHFFFAOYSA-N 0 0 316.489 4.462 20 10 DICDRN CCC(=CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)CC ZINC000759157699 1046324818 /nfs/dbraw/zinc/32/48/18/1046324818.db2.gz QJHZYCGQYGTMAQ-UHFFFAOYSA-N 0 0 302.462 4.236 20 10 DICDRN C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CCc2cccc(O)c2C1 ZINC001168189605 1046340812 /nfs/dbraw/zinc/34/08/12/1046340812.db2.gz SVYYPNIDLRKBDS-CYBMUJFWSA-N 0 0 301.817 4.035 20 10 DICDRN Cc1ccncc1/C=C/C(=O)N(CC1CCC1)c1ccccc1 ZINC001126697116 1046343544 /nfs/dbraw/zinc/34/35/44/1046343544.db2.gz XWHMUCDWJLKODG-ZHACJKMWSA-N 0 0 306.409 4.237 20 10 DICDRN CN(C)c1ccc(CNc2nccc3ccc(F)cc32)cc1F ZINC000759309626 1046344017 /nfs/dbraw/zinc/34/40/17/1046344017.db2.gz UNCGMMMNLUOUFT-UHFFFAOYSA-N 0 0 313.351 4.191 20 10 DICDRN C[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])CC(F)(F)F ZINC000396966695 1046347599 /nfs/dbraw/zinc/34/75/99/1046347599.db2.gz XFWOJHNVHFXLPP-ZETCQYMHSA-N 0 0 316.150 4.377 20 10 DICDRN CC(C)Cc1noc(CSc2ncc(C(C)(C)C)s2)n1 ZINC000759713300 1046375120 /nfs/dbraw/zinc/37/51/20/1046375120.db2.gz IWPQJFQYPHNMLK-UHFFFAOYSA-N 0 0 311.476 4.314 20 10 DICDRN C[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC000759594944 1046364623 /nfs/dbraw/zinc/36/46/23/1046364623.db2.gz ORJJYEWSXNLQKN-QSADENFPSA-N 0 0 318.756 4.069 20 10 DICDRN Cn1c(-c2ccccc2)cnc1SCc1cnc2ccccn12 ZINC000759606198 1046365663 /nfs/dbraw/zinc/36/56/63/1046365663.db2.gz UXGDYDAOSRCARE-UHFFFAOYSA-N 0 0 320.421 4.027 20 10 DICDRN Cc1c2cc(Cl)ccc2oc1C(=O)NCc1ccccc1O ZINC000748354030 1046367319 /nfs/dbraw/zinc/36/73/19/1046367319.db2.gz VMVMFIIFVZOSOZ-UHFFFAOYSA-N 0 0 315.756 4.030 20 10 DICDRN O=C(NCc1ccccc1O)c1ccc(C2CCCCC2)cc1 ZINC000748353915 1046368131 /nfs/dbraw/zinc/36/81/31/1046368131.db2.gz RIBTZLOFCGWSGP-UHFFFAOYSA-N 0 0 309.409 4.370 20 10 DICDRN CC(C)(C)c1ccc2cc(C(=O)NCc3ccccc3O)[nH]c2c1 ZINC000748347095 1046368362 /nfs/dbraw/zinc/36/83/62/1046368362.db2.gz VXSNDEJOWRBAMA-UHFFFAOYSA-N 0 0 322.408 4.101 20 10 DICDRN CC(C)(C)c1cnc(SCc2cn3ccccc3n2)s1 ZINC000759717793 1046376327 /nfs/dbraw/zinc/37/63/27/1046376327.db2.gz FWTSJUWBIAAVSS-UHFFFAOYSA-N 0 0 303.456 4.381 20 10 DICDRN CCC(C)(C)C1CCC(NC(=O)NCc2ccccc2O)CC1 ZINC000748459302 1046377983 /nfs/dbraw/zinc/37/79/83/1046377983.db2.gz FQFJXSMSKOMTMI-UHFFFAOYSA-N 0 0 318.461 4.186 20 10 DICDRN CCC[C@H](C)CC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000748614568 1046390596 /nfs/dbraw/zinc/39/05/96/1046390596.db2.gz VODUISBUBQXQCS-INIZCTEOSA-N 0 0 304.478 4.318 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C(\C)c1ccccc1 ZINC000748725040 1046399974 /nfs/dbraw/zinc/39/99/74/1046399974.db2.gz VWDKLWCQSNXTFQ-BMRADRMJSA-N 0 0 322.452 4.205 20 10 DICDRN COc1ccc(N(Cc2ccnc(Cl)c2)CC(C)C)cc1 ZINC000748802076 1046403269 /nfs/dbraw/zinc/40/32/69/1046403269.db2.gz DFFKXTVFNQQXOL-UHFFFAOYSA-N 0 0 304.821 4.406 20 10 DICDRN COc1ccc(N(C)Cc2cnc(C3CC3)s2)cc1Cl ZINC000780779724 1046404678 /nfs/dbraw/zinc/40/46/78/1046404678.db2.gz WLDIMGKPWGLBSJ-UHFFFAOYSA-N 0 0 308.834 4.319 20 10 DICDRN COc1ccc(N(C)Cc2cnc(CC(C)C)s2)cc1F ZINC000780779566 1046405137 /nfs/dbraw/zinc/40/51/37/1046405137.db2.gz MMNXTZMITXLXCY-UHFFFAOYSA-N 0 0 308.422 4.126 20 10 DICDRN COc1ccc(N(C)Cc2c(C)nn(C(C)(C)C)c2C)cc1F ZINC000780779658 1046405375 /nfs/dbraw/zinc/40/53/75/1046405375.db2.gz RKZYDQAZLUSOPI-UHFFFAOYSA-N 0 0 319.424 4.039 20 10 DICDRN CC/C(C)=C(/C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000780858294 1046408679 /nfs/dbraw/zinc/40/86/79/1046408679.db2.gz BXMRBCJDIGFKAT-MSUUIHNZSA-N 0 0 314.473 4.382 20 10 DICDRN Cc1oc(-c2ccccc2)c(C(=O)NCc2ccccc2O)c1C ZINC000780930927 1046412008 /nfs/dbraw/zinc/41/20/08/1046412008.db2.gz OZOSNMXHHTYLNU-UHFFFAOYSA-N 0 0 321.376 4.199 20 10 DICDRN CC(C)O[C@H](CN(C)c1ccc2c(c1)OCO2)c1ccccc1 ZINC001168214942 1046424014 /nfs/dbraw/zinc/42/40/14/1046424014.db2.gz MRMMCSIKPMYIMK-LJQANCHMSA-N 0 0 313.397 4.018 20 10 DICDRN COc1ccc2c(c1)CCCCN2Cc1c(C)nsc1C ZINC001168244186 1046445434 /nfs/dbraw/zinc/44/54/34/1046445434.db2.gz KKAUOAWUGMJSIF-UHFFFAOYSA-N 0 0 302.443 4.111 20 10 DICDRN C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])c1ccc2c(c1)CCCO2 ZINC000827962701 1046470112 /nfs/dbraw/zinc/47/01/12/1046470112.db2.gz QSVZCLKALUTWEF-LBPRGKRZSA-N 0 0 317.816 4.221 20 10 DICDRN Cc1cc(Br)c([O-])c(C[N@@H+](C)[C@H](C)c2ccco2)c1 ZINC000781898558 1046484501 /nfs/dbraw/zinc/48/45/01/1046484501.db2.gz ZMIFBROXNJWSHQ-LLVKDONJSA-N 0 0 324.218 4.249 20 10 DICDRN C[N@H+](Cc1cccc2ccccc21)Cc1c(F)ccc(F)c1[O-] ZINC001139682709 1046498675 /nfs/dbraw/zinc/49/86/75/1046498675.db2.gz AVMFPNUMZZVQAE-UHFFFAOYSA-N 0 0 313.347 4.456 20 10 DICDRN Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139681411 1046498741 /nfs/dbraw/zinc/49/87/41/1046498741.db2.gz QHUSKRDWKVLPOP-KRWDZBQOSA-N 0 0 303.352 4.316 20 10 DICDRN CC(C)(C)[N@H+](Cc1ccccc1)Cc1c(F)ccc(F)c1[O-] ZINC001139684128 1046499985 /nfs/dbraw/zinc/49/99/85/1046499985.db2.gz HPMJRHDYLKDBAQ-UHFFFAOYSA-N 0 0 305.368 4.471 20 10 DICDRN Cc1cc(C(=O)Nc2ccccc2O)c(C)n1-c1ccccc1C ZINC000247830162 1046502384 /nfs/dbraw/zinc/50/23/84/1046502384.db2.gz KXCNUHPZPJHUHW-UHFFFAOYSA-N 0 0 320.392 4.360 20 10 DICDRN Cc1cc(C(=O)Nc2cc(C)ccn2)c(C)n1-c1cccc(C)c1 ZINC000247842173 1046502673 /nfs/dbraw/zinc/50/26/73/1046502673.db2.gz QLUVBBSYCLIEGP-UHFFFAOYSA-N 0 0 319.408 4.358 20 10 DICDRN CCC[N@H+](Cc1cnc(C2CC2)s1)Cc1ccccc1O ZINC000092705064 1046557508 /nfs/dbraw/zinc/55/75/08/1046557508.db2.gz AKEOJXODOXUOPH-UHFFFAOYSA-N 0 0 302.443 4.138 20 10 DICDRN c1c[nH]c([C@@H]2CCCCN2Cc2ccc(N3CCCCC3)cc2)n1 ZINC000092728527 1046564086 /nfs/dbraw/zinc/56/40/86/1046564086.db2.gz DLCATBJIOUZHEG-IBGZPJMESA-N 0 0 324.472 4.127 20 10 DICDRN CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2O)cc1 ZINC001140055322 1046576850 /nfs/dbraw/zinc/57/68/50/1046576850.db2.gz RDNJKFHUXBSJQF-SFHVURJKSA-N 0 0 315.388 4.267 20 10 DICDRN C[N@H+](Cc1cc(Cl)cc(Cl)c1)Cc1cc(F)ccc1O ZINC001140055936 1046577944 /nfs/dbraw/zinc/57/79/44/1046577944.db2.gz BBTWXJFQTWHYFM-UHFFFAOYSA-N 0 0 314.187 4.470 20 10 DICDRN Oc1ccc(F)cc1C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC001140057409 1046579387 /nfs/dbraw/zinc/57/93/87/1046579387.db2.gz GNPMGMIUEHRMBN-UHFFFAOYSA-N 0 0 317.791 4.474 20 10 DICDRN CSCc1cccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000783317226 1046581275 /nfs/dbraw/zinc/58/12/75/1046581275.db2.gz OQTRLSMILLASTD-LLVKDONJSA-N 0 0 323.408 4.384 20 10 DICDRN Cc1ncsc1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000729685472 1046581035 /nfs/dbraw/zinc/58/10/35/1046581035.db2.gz CJHWGEOCHBFLBB-UHFFFAOYSA-N 0 0 310.422 4.114 20 10 DICDRN CC[C@@H]([NH2+]C[C@H](c1cccnc1)C(C)C)c1ccc(F)cc1[O-] ZINC000796794586 1046590605 /nfs/dbraw/zinc/59/06/05/1046590605.db2.gz VVVCNMQMCAEISH-ZWKOTPCHSA-N 0 0 316.420 4.407 20 10 DICDRN Cc1ccc(C)c(CN(C)[C@@H](C2CCC2)C(F)(F)F)c1O ZINC001140184544 1046610149 /nfs/dbraw/zinc/61/01/49/1046610149.db2.gz YSEAJNMMEQCGCJ-HNNXBMFYSA-N 0 0 301.352 4.172 20 10 DICDRN COc1ccc(N(C)Cc2ccc3nc(C)ccc3c2)cc1OC ZINC000783668481 1046619597 /nfs/dbraw/zinc/61/95/97/1046619597.db2.gz RAVJXHASCWHSFN-UHFFFAOYSA-N 0 0 322.408 4.197 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCC1(C)C ZINC001140232109 1046621249 /nfs/dbraw/zinc/62/12/49/1046621249.db2.gz YSXYLYKVBHPOEB-CQSZACIVSA-N 0 0 302.443 4.074 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)c1ccc(Cl)cc1[O-] ZINC000841753236 1046621468 /nfs/dbraw/zinc/62/14/68/1046621468.db2.gz YDLNJJBDRUFBID-NORZTCDRSA-N 0 0 311.853 4.290 20 10 DICDRN CN(CC[C@H]1CCOC1)c1ccc(OCc2ccccc2)cc1 ZINC000783714738 1046628495 /nfs/dbraw/zinc/62/84/95/1046628495.db2.gz AXSYDCXHKXYZFE-SFHVURJKSA-N 0 0 311.425 4.128 20 10 DICDRN Cc1ccncc1/C=C/C(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000783839316 1046636408 /nfs/dbraw/zinc/63/64/08/1046636408.db2.gz HAHZVTLYOFGRDP-KIUWMYQTSA-N 0 0 324.449 4.321 20 10 DICDRN CCN(C(=O)/C=C/c1cnccc1C)c1ccc(Cl)cc1 ZINC000783876409 1046640833 /nfs/dbraw/zinc/64/08/33/1046640833.db2.gz DFIJVRVFZIVOJR-RUDMXATFSA-N 0 0 300.789 4.110 20 10 DICDRN Cc1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)o1 ZINC000054486495 1046641825 /nfs/dbraw/zinc/64/18/25/1046641825.db2.gz NKBLNWGSZRKQRE-JYRVWZFOSA-N 0 0 319.382 4.133 20 10 DICDRN Oc1cccc2c1[C@@H](Nc1ccc(F)cc1OC(F)F)CC2 ZINC000834756478 1046665858 /nfs/dbraw/zinc/66/58/58/1046665858.db2.gz QXLABAZJEZHJBF-LBPRGKRZSA-N 0 0 309.287 4.232 20 10 DICDRN CC(C)Cn1ncc(N[C@H]2CCc3cccc(O)c32)c1C(F)F ZINC000834755592 1046666611 /nfs/dbraw/zinc/66/66/11/1046666611.db2.gz GPDQUJFOCUAWBX-LBPRGKRZSA-N 0 0 321.371 4.282 20 10 DICDRN COc1cc(SC)ccc1N[C@@H]1CCc2cccc(O)c21 ZINC000834787333 1046670502 /nfs/dbraw/zinc/67/05/02/1046670502.db2.gz KNVUBKMUBYAOAE-CQSZACIVSA-N 0 0 301.411 4.222 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCCc2c(F)cccc21)c1ccc(F)cc1[O-] ZINC000834814109 1046674665 /nfs/dbraw/zinc/67/46/65/1046674665.db2.gz FDYZTPCDPQDONX-PIGZYNQJSA-N 0 0 303.352 4.399 20 10 DICDRN C[C@H]([NH2+]CCCC(C)(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000834817836 1046676334 /nfs/dbraw/zinc/67/63/34/1046676334.db2.gz CLJXWQUTGWCIFO-VIFPVBQESA-N 0 0 311.294 4.497 20 10 DICDRN Cc1cnc(NCc2cc(C)c(C)cc2O)c(Br)c1 ZINC000795805659 1046682404 /nfs/dbraw/zinc/68/24/04/1046682404.db2.gz KXRZIZMCJNIHSV-UHFFFAOYSA-N 0 0 321.218 4.087 20 10 DICDRN CC[C@@H]([NH2+]CC1=CCOCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000834859742 1046688307 /nfs/dbraw/zinc/68/83/07/1046688307.db2.gz IGWFLVAUTNGXBN-CYBMUJFWSA-N 0 0 316.228 4.086 20 10 DICDRN CCCSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000249686033 1046690334 /nfs/dbraw/zinc/69/03/34/1046690334.db2.gz GJRYFVVKCOBZIJ-HNNXBMFYSA-N 0 0 302.443 4.231 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H](C)CCCO)c1ccc(Cl)c(Cl)c1[O-] ZINC000834871010 1046691434 /nfs/dbraw/zinc/69/14/34/1046691434.db2.gz MIRIULQWHOBAGY-GXFFZTMASA-N 0 0 320.260 4.148 20 10 DICDRN CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2O)CCO1 ZINC000834885354 1046698249 /nfs/dbraw/zinc/69/82/49/1046698249.db2.gz IVTAOUOPWKRKAR-DCGLDWPTSA-N 0 0 311.853 4.147 20 10 DICDRN CC(C)[C@@H]1C[C@@H](C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)CCO1 ZINC000834885048 1046698656 /nfs/dbraw/zinc/69/86/56/1046698656.db2.gz GCDVVXSDFQYCSO-RMRKRWHISA-N 0 0 321.436 4.120 20 10 DICDRN CC(C)[C@H]1C[C@@H](C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)CCO1 ZINC000834885050 1046698742 /nfs/dbraw/zinc/69/87/42/1046698742.db2.gz GCDVVXSDFQYCSO-RPCCPQHDSA-N 0 0 321.436 4.120 20 10 DICDRN CC1(C)C[C@@H](c2noc(-c3ccc(-n4cccc4)cc3)n2)CCO1 ZINC000834891567 1046702451 /nfs/dbraw/zinc/70/24/51/1046702451.db2.gz OLPXRXNUPHTAKM-HNNXBMFYSA-N 0 0 323.396 4.200 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)c1nccn1CC)c1cccc(Cl)c1[O-] ZINC000834892632 1046703038 /nfs/dbraw/zinc/70/30/38/1046703038.db2.gz CCHGKCORQRPNCO-SMDDNHRTSA-N 0 0 307.825 4.064 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCCN(C)c2ccccc21)c1ccc(F)cc1[O-] ZINC000834901898 1046714876 /nfs/dbraw/zinc/71/48/76/1046714876.db2.gz BALJRHPVOQTDCX-SUMWQHHRSA-N 0 0 314.404 4.153 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1)c1ccc(F)cc1[O-] ZINC000796695259 1046718715 /nfs/dbraw/zinc/71/87/15/1046718715.db2.gz OESNXKMWXCINIG-UVBJJODRSA-N 0 0 303.377 4.489 20 10 DICDRN CC[C@H]([NH2+]Cc1ccccc1N(C)CC)c1ccc(F)cc1[O-] ZINC000796756073 1046726496 /nfs/dbraw/zinc/72/64/96/1046726496.db2.gz QVRYKPFTQAUJRF-KRWDZBQOSA-N 0 0 316.420 4.228 20 10 DICDRN CC[C@@H]([NH2+][C@@H](CC)c1c(C)nn(C)c1C)c1ccc(F)cc1[O-] ZINC000796778945 1046732867 /nfs/dbraw/zinc/73/28/67/1046732867.db2.gz AKLWMUOCCMTXGP-CVEARBPZSA-N 0 0 319.424 4.074 20 10 DICDRN CC[C@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)c1ccc(F)cc1[O-] ZINC000796836454 1046743007 /nfs/dbraw/zinc/74/30/07/1046743007.db2.gz YPOINUFUBOEORF-DOTOQJQBSA-N 0 0 309.425 4.167 20 10 DICDRN C[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)Cc2ccccc21 ZINC000835024264 1046744708 /nfs/dbraw/zinc/74/47/08/1046744708.db2.gz ISBHVFCVFOCPTO-CQSZACIVSA-N 0 0 304.393 4.060 20 10 DICDRN CCc1nc([C@@H](C)NC/C=C/c2ccc(N(C)C)cc2)cs1 ZINC000835039168 1046746033 /nfs/dbraw/zinc/74/60/33/1046746033.db2.gz CAQXDAZUAMPKMU-PSKZRQQASA-N 0 0 315.486 4.136 20 10 DICDRN CCCCn1cc(C[NH2+][C@@H](CC)c2ccc(F)cc2[O-])c(C)n1 ZINC000796855272 1046746320 /nfs/dbraw/zinc/74/63/20/1046746320.db2.gz OOQMNUUSSDSUAH-KRWDZBQOSA-N 0 0 319.424 4.077 20 10 DICDRN CCc1nc([C@@H](C)NC/C=C\c2ccc(N(C)C)cc2)cs1 ZINC000835039167 1046746290 /nfs/dbraw/zinc/74/62/90/1046746290.db2.gz CAQXDAZUAMPKMU-LMVHVUTASA-N 0 0 315.486 4.136 20 10 DICDRN CC[C@@H](Nc1cc(F)c(OC)c(F)c1)c1ccc(F)cc1O ZINC000796867473 1046748180 /nfs/dbraw/zinc/74/81/80/1046748180.db2.gz AZMSWCDFLMHLPM-CQSZACIVSA-N 0 0 311.303 4.381 20 10 DICDRN CC[C@H](Nc1cc(F)c(OC)c(F)c1)c1ccc(F)cc1O ZINC000796867470 1046748442 /nfs/dbraw/zinc/74/84/42/1046748442.db2.gz AZMSWCDFLMHLPM-AWEZNQCLSA-N 0 0 311.303 4.381 20 10 DICDRN CN(C)c1ccc(/C=C\CN2CC(C)(C)[C@H]2c2cccnc2)cc1 ZINC000835056668 1046751782 /nfs/dbraw/zinc/75/17/82/1046751782.db2.gz WOININNDWJDCKJ-PXDRNWIDSA-N 0 0 321.468 4.244 20 10 DICDRN CC[C@H]([NH2+]C1(c2cccc(F)c2)CC1)c1ccc(F)cc1[O-] ZINC000796880081 1046751716 /nfs/dbraw/zinc/75/17/16/1046751716.db2.gz AZLQAQWZLMBHMC-INIZCTEOSA-N 0 0 303.352 4.400 20 10 DICDRN CC[C@@H](Nc1cc(OC)c(OC)cc1F)c1ccc(F)cc1O ZINC000796900201 1046755543 /nfs/dbraw/zinc/75/55/43/1046755543.db2.gz SWYUWCBGQFNQJF-CYBMUJFWSA-N 0 0 323.339 4.251 20 10 DICDRN CC[C@@H](Nc1ccc2c(c1)C[C@@H](OC)C2)c1ccc(F)cc1O ZINC000796938125 1046760184 /nfs/dbraw/zinc/76/01/84/1046760184.db2.gz WQJZWVWEBZBNBF-FUHWJXTLSA-N 0 0 315.388 4.208 20 10 DICDRN CC[C@@H](Nc1cc(CCOC)ccn1)c1cc(Cl)ccc1O ZINC000797043937 1046779588 /nfs/dbraw/zinc/77/95/88/1046779588.db2.gz PKHQFSUAPAWKSH-OAHLLOKOSA-N 0 0 320.820 4.193 20 10 DICDRN C[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000797077226 1046786616 /nfs/dbraw/zinc/78/66/16/1046786616.db2.gz DFPLPNRWDHYCIN-DCAQKATOSA-N 0 0 318.244 4.022 20 10 DICDRN CN(Cc1cc(Cl)sc1Cl)Cc1ccccc1O ZINC001140589252 1046797469 /nfs/dbraw/zinc/79/74/69/1046797469.db2.gz GMEOTIAKXLHDOS-UHFFFAOYSA-N 0 0 302.226 4.393 20 10 DICDRN C[C@H]([NH2+][C@H]1CC[C@H]1C)c1cc(Br)cc(Cl)c1[O-] ZINC000797130433 1046792841 /nfs/dbraw/zinc/79/28/41/1046792841.db2.gz REQKYPTXWAZWBT-LWINAJNOSA-N 0 0 318.642 4.257 20 10 DICDRN Cc1cccc([C@@H]2CCC[N@@H+]2Cc2c([O-])cc(F)cc2F)c1 ZINC001140582381 1046793073 /nfs/dbraw/zinc/79/30/73/1046793073.db2.gz HCRNSFFNORZBRQ-KRWDZBQOSA-N 0 0 303.352 4.316 20 10 DICDRN CC(C)(C)[N@H+](Cc1ccccc1)Cc1c([O-])cc(F)cc1F ZINC001140580311 1046793799 /nfs/dbraw/zinc/79/37/99/1046793799.db2.gz WSJOOGQJUPZWGP-UHFFFAOYSA-N 0 0 305.368 4.471 20 10 DICDRN CC[C@@H](C)CCC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000797188145 1046797975 /nfs/dbraw/zinc/79/79/75/1046797975.db2.gz DQJZYBRFRKGSEX-OAHLLOKOSA-N 0 0 315.413 4.340 20 10 DICDRN Oc1cccc2c1CN(Cc1cc(Cl)sc1Cl)CC2 ZINC001140590007 1046798379 /nfs/dbraw/zinc/79/83/79/1046798379.db2.gz XEFPQCIFLGKADC-UHFFFAOYSA-N 0 0 314.237 4.319 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(Cl)s1 ZINC000302807591 1046809869 /nfs/dbraw/zinc/80/98/69/1046809869.db2.gz HDPQOADPVAUYDQ-UHFFFAOYSA-N 0 0 322.861 4.130 20 10 DICDRN Cc1cc(C(=O)Nc2nccs2)c(C)n1-c1ccccc1C ZINC000302917509 1046820712 /nfs/dbraw/zinc/82/07/12/1046820712.db2.gz QVYNUFOUXLINOI-UHFFFAOYSA-N 0 0 311.410 4.111 20 10 DICDRN O=C1N=C(NC2CCCCC2)SC1=Cc1ccccc1Cl ZINC000008322941 1046881313 /nfs/dbraw/zinc/88/13/13/1046881313.db2.gz NLTKWVRLMPJXAR-UVTDQMKNSA-N 0 0 320.845 4.233 20 10 DICDRN COC(=O)Nc1cccc(NCc2c(O)cccc2Cl)c1C ZINC000797881757 1046902549 /nfs/dbraw/zinc/90/25/49/1046902549.db2.gz KXRPVOKNMRZINV-UHFFFAOYSA-N 0 0 320.776 4.144 20 10 DICDRN COc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c(Cl)c1 ZINC001140822682 1046916848 /nfs/dbraw/zinc/91/68/48/1046916848.db2.gz DQJQUCMSOBFZBN-UHFFFAOYSA-N 0 0 318.848 4.047 20 10 DICDRN C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)c1cc(F)cc(F)c1[O-] ZINC000797999846 1046917672 /nfs/dbraw/zinc/91/76/72/1046917672.db2.gz YAEPZBBZHOVLJN-WHOFXGATSA-N 0 0 303.352 4.267 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000798086598 1046927035 /nfs/dbraw/zinc/92/70/35/1046927035.db2.gz UTQJWVXKTAYYPG-CTYIDZIISA-N 0 0 305.780 4.221 20 10 DICDRN C[C@@H]([NH2+]C[C@@]1(C)CCCS1)c1cccc(C(F)(F)F)c1[O-] ZINC000798182099 1046933691 /nfs/dbraw/zinc/93/36/91/1046933691.db2.gz QEVVRBAKHIWOCG-QMTHXVAHSA-N 0 0 319.392 4.347 20 10 DICDRN C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000798182299 1046934325 /nfs/dbraw/zinc/93/43/25/1046934325.db2.gz RFXMCDDSXXHODS-GMTAPVOTSA-N 0 0 317.351 4.018 20 10 DICDRN C[C@@H]([NH2+]Cc1ccsc1)c1cccc(C(F)(F)F)c1[O-] ZINC000798180977 1046934456 /nfs/dbraw/zinc/93/44/56/1046934456.db2.gz OPVFMUDGYTYAIH-SECBINFHSA-N 0 0 301.333 4.323 20 10 DICDRN Cc1ccc(CC[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])cn1 ZINC000798183537 1046935157 /nfs/dbraw/zinc/93/51/57/1046935157.db2.gz NGKYSTSCKVJTOF-GFCCVEGCSA-N 0 0 324.346 4.008 20 10 DICDRN Cc1ccc(O[C@H]2CCC[N@H+](Cc3ccc(C)cc3O)C2)cc1 ZINC001140949382 1046958842 /nfs/dbraw/zinc/95/88/42/1046958842.db2.gz ANMDNUUJAYYQHL-IBGZPJMESA-N 0 0 311.425 4.052 20 10 DICDRN CC(C)=CCC[C@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000836562364 1046973003 /nfs/dbraw/zinc/97/30/03/1046973003.db2.gz GEMGZOSDEBWGRS-INIZCTEOSA-N 0 0 317.477 4.029 20 10 DICDRN Cc1ccc(C(=O)Nc2cccc(N3CCC(C)CC3)c2)cc1 ZINC000303876652 1046999354 /nfs/dbraw/zinc/99/93/54/1046999354.db2.gz YDLQMYUPIPQIIX-UHFFFAOYSA-N 0 0 308.425 4.484 20 10 DICDRN CCN(C(=O)/C=C/c1cncc(F)c1)c1ccc(Cl)cc1F ZINC000799410051 1047026861 /nfs/dbraw/zinc/02/68/61/1047026861.db2.gz XMUYXZIEHJDRQR-ZZXKWVIFSA-N 0 0 322.742 4.080 20 10 DICDRN CCN(C(=O)/C=C/c1cncc(F)c1)c1ccc(Cl)c(F)c1 ZINC000799409341 1047027400 /nfs/dbraw/zinc/02/74/00/1047027400.db2.gz XEPSADNCAUPMAG-ZZXKWVIFSA-N 0 0 322.742 4.080 20 10 DICDRN CCN(C(=O)/C=C\c1scnc1C)c1ccc(Cl)cc1F ZINC000799410511 1047028364 /nfs/dbraw/zinc/02/83/64/1047028364.db2.gz RYYPQIJCNFLWIM-SREVYHEPSA-N 0 0 324.808 4.310 20 10 DICDRN Cc1cc(NC(=O)N(C)Cc2ccccc2O)cc(C)c1Cl ZINC000799519657 1047041202 /nfs/dbraw/zinc/04/12/02/1047041202.db2.gz NFGGRZRVWUFJDE-UHFFFAOYSA-N 0 0 318.804 4.326 20 10 DICDRN CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000799729629 1047058905 /nfs/dbraw/zinc/05/89/05/1047058905.db2.gz PUDQZDYMDJPWPR-FGEZKYSXSA-N 0 0 318.244 4.307 20 10 DICDRN CC(C)(C)OC(=O)c1cccc(CSc2nccs2)c1 ZINC000799883855 1047065410 /nfs/dbraw/zinc/06/54/10/1047065410.db2.gz UKOFPWKGYMBNGJ-UHFFFAOYSA-N 0 0 307.440 4.391 20 10 DICDRN Cc1ccccc1C1(C(=O)NCc2ccc(N)cc2)CCCCC1 ZINC000837302978 1047067579 /nfs/dbraw/zinc/06/75/79/1047067579.db2.gz OUGIRCAUFRPABK-UHFFFAOYSA-N 0 0 322.452 4.096 20 10 DICDRN O=C1/C(=C/c2ccsc2)SC(=S)N1c1ccc(F)cc1 ZINC000207887809 1047076854 /nfs/dbraw/zinc/07/68/54/1047076854.db2.gz CRVDMSXEMLLHRT-GHXNOFRVSA-N 0 0 321.423 4.293 20 10 DICDRN COc1ccccc1[C@H]1CCC[N@@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139684504 1047082901 /nfs/dbraw/zinc/08/29/01/1047082901.db2.gz XJOZWVAXZAEEJI-MRXNPFEDSA-N 0 0 319.351 4.016 20 10 DICDRN CC(C)c1ccc(C2(C(=O)NCc3ccccc3O)CCC2)cc1 ZINC001115935193 1047094828 /nfs/dbraw/zinc/09/48/28/1047094828.db2.gz AXOWEFAWEKDZAN-UHFFFAOYSA-N 0 0 323.436 4.254 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)CC(F)(F)F ZINC000837605125 1047095598 /nfs/dbraw/zinc/09/55/98/1047095598.db2.gz KCZVKGBHPYVZJA-LBPRGKRZSA-N 0 0 317.351 4.109 20 10 DICDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)CC2CCCCC2)c1 ZINC001116066936 1047104670 /nfs/dbraw/zinc/10/46/70/1047104670.db2.gz ZRKBXFRKYFLMAP-KBPBESRZSA-N 0 0 319.445 4.185 20 10 DICDRN Cc1cc(C)c(C(=O)NCc2c(O)ccc3c2CCCC3)c(C)c1 ZINC001137443342 1047120927 /nfs/dbraw/zinc/12/09/27/1047120927.db2.gz LWXYHQZDXQMGLR-UHFFFAOYSA-N 0 0 323.436 4.126 20 10 DICDRN COc1ccc(N(Cc2nc(C)sc2C)C(C)C)cc1F ZINC001116359412 1047132114 /nfs/dbraw/zinc/13/21/14/1047132114.db2.gz SZHUUCBIPQEEIB-UHFFFAOYSA-N 0 0 308.422 4.323 20 10 DICDRN Cc1ccc([C@@H](C)Nc2ccc(N3CCCC3=O)c(C)c2)c(O)c1 ZINC001116589576 1047160574 /nfs/dbraw/zinc/16/05/74/1047160574.db2.gz YEKUNCDEAQHIFO-OAHLLOKOSA-N 0 0 324.424 4.309 20 10 DICDRN c1[nH]c(CNc2ccccc2OCC2CC2)nc1-c1ccccc1 ZINC001116812027 1047178732 /nfs/dbraw/zinc/17/87/32/1047178732.db2.gz UQTXPMGFGRZQKZ-UHFFFAOYSA-N 0 0 319.408 4.478 20 10 DICDRN COc1ccc(O)c([C@H](C)Nc2ccc(OC)c(SC)c2)c1 ZINC000839152375 1047198186 /nfs/dbraw/zinc/19/81/86/1047198186.db2.gz MINUBUYIVOVDIB-NSHDSACASA-N 0 0 319.426 4.304 20 10 DICDRN Cc1cc(-c2nnc([C@@H]3CCCOC3)o2)c(C)n1-c1ccccc1 ZINC001117165800 1047198351 /nfs/dbraw/zinc/19/83/51/1047198351.db2.gz ZOOIWPAKFOYHGM-OAHLLOKOSA-N 0 0 323.396 4.038 20 10 DICDRN CCOc1ccc(CNc2ccc(OC)c(SC)c2)c(O)c1 ZINC000839149597 1047199089 /nfs/dbraw/zinc/19/90/89/1047199089.db2.gz DJSFKAZXKHOYCW-UHFFFAOYSA-N 0 0 319.426 4.134 20 10 DICDRN COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000839164290 1047200985 /nfs/dbraw/zinc/20/09/85/1047200985.db2.gz ZIEHDWXMLHQANU-NSHDSACASA-N 0 0 323.795 4.353 20 10 DICDRN Cc1cc(C(=O)Nc2c3nonc3ccc2Cl)ccc1Cl ZINC001117507798 1047229464 /nfs/dbraw/zinc/22/94/64/1047229464.db2.gz WDWKSGQJCJRVIT-UHFFFAOYSA-N 0 0 322.151 4.090 20 10 DICDRN C[C@@H](NC(=O)CCCc1c[nH]c2ccccc12)c1ccccc1O ZINC000827915926 1047237979 /nfs/dbraw/zinc/23/79/79/1047237979.db2.gz DXQDQDAACJSDOG-CQSZACIVSA-N 0 0 322.408 4.074 20 10 DICDRN Cc1ccoc1CNC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001141695814 1047269194 /nfs/dbraw/zinc/26/91/94/1047269194.db2.gz GEOYOLPGWXUVDM-UHFFFAOYSA-N 0 0 322.408 4.234 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccccc1OC ZINC000387664710 1047284919 /nfs/dbraw/zinc/28/49/19/1047284919.db2.gz BFILFZSBKVKONP-MLGOLLRUSA-N 0 0 303.377 4.342 20 10 DICDRN C[C@H](Nc1ccc(N2CCCC2)cc1)c1ccc(F)cc1O ZINC000387861838 1047285039 /nfs/dbraw/zinc/28/50/39/1047285039.db2.gz LQOUKYXRRWCIGT-ZDUSSCGKSA-N 0 0 300.377 4.305 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccccc1OC ZINC000388587186 1047287857 /nfs/dbraw/zinc/28/78/57/1047287857.db2.gz HHENMPCPWJUFQQ-LRDDRELGSA-N 0 0 303.377 4.342 20 10 DICDRN C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])COCc1ccccc1 ZINC000389911335 1047292986 /nfs/dbraw/zinc/29/29/86/1047292986.db2.gz KBDHHQPNQRGMMT-GJZGRUSLSA-N 0 0 317.404 4.035 20 10 DICDRN C[C@@H](Nc1ccc(N2CCCCC2)nc1)c1ccc(F)cc1O ZINC000391038238 1047301459 /nfs/dbraw/zinc/30/14/59/1047301459.db2.gz PWXJLHCYXQHDOF-CYBMUJFWSA-N 0 0 315.392 4.090 20 10 DICDRN Nc1ccc(CC(=O)Nc2ccc3oc4ccccc4c3c2)cc1 ZINC000391698900 1047306717 /nfs/dbraw/zinc/30/67/17/1047306717.db2.gz UAPQFTAWDWNTLW-UHFFFAOYSA-N 0 0 316.360 4.349 20 10 DICDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001142527108 1047310256 /nfs/dbraw/zinc/31/02/56/1047310256.db2.gz KTYMJMQLVVONPQ-GFCCVEGCSA-N 0 0 323.770 4.313 20 10 DICDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001142527124 1047310518 /nfs/dbraw/zinc/31/05/18/1047310518.db2.gz LLRRYOWPKZVKKS-GFCCVEGCSA-N 0 0 323.770 4.313 20 10 DICDRN Oc1c(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)ccc2ccccc21 ZINC000898068950 1047315945 /nfs/dbraw/zinc/31/59/45/1047315945.db2.gz SEURYPASIMUARE-AWEZNQCLSA-N 0 0 324.449 4.067 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cnc(C2CCC2)s1 ZINC000898218588 1047324503 /nfs/dbraw/zinc/32/45/03/1047324503.db2.gz KQRKPYXLDNXQKZ-UHFFFAOYSA-N 0 0 308.834 4.059 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)c1ccc(F)cc1[O-] ZINC000840774515 1047330896 /nfs/dbraw/zinc/33/08/96/1047330896.db2.gz MIJRDCOHUXIJKX-KBXCAEBGSA-N 0 0 316.420 4.378 20 10 DICDRN COCC[C@@H](C)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000840835256 1047340710 /nfs/dbraw/zinc/34/07/10/1047340710.db2.gz LGUSUHXJPJQWMX-NXEZZACHSA-N 0 0 306.233 4.022 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CC1(C(F)(F)F)CC1 ZINC000796491019 1047339988 /nfs/dbraw/zinc/33/99/88/1047339988.db2.gz RZPRTDXTTOTETQ-UHFFFAOYSA-N 0 0 314.134 4.131 20 10 DICDRN C[C@@H]([NH2+]Cc1cnccc1C(C)(C)C)c1cc(F)cc(F)c1[O-] ZINC000840854584 1047344009 /nfs/dbraw/zinc/34/40/09/1047344009.db2.gz ADEMZWGAEBFYAA-LLVKDONJSA-N 0 0 320.383 4.214 20 10 DICDRN CC[C@H](Nc1cccc([C@H]2CCC(=O)N2)c1)c1ccc(C)cc1O ZINC000840885218 1047352290 /nfs/dbraw/zinc/35/22/90/1047352290.db2.gz WCWZYOJSOSCFCG-ZWKOTPCHSA-N 0 0 324.424 4.215 20 10 DICDRN COC1([C@@H](C)[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])CCC1 ZINC000840884600 1047352572 /nfs/dbraw/zinc/35/25/72/1047352572.db2.gz NJHRZYWHRYYQPD-WDEREUQCSA-N 0 0 317.351 4.019 20 10 DICDRN COC1([C@@H](C)[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])CCC1 ZINC000840884596 1047353627 /nfs/dbraw/zinc/35/36/27/1047353627.db2.gz NJHRZYWHRYYQPD-GHMZBOCLSA-N 0 0 317.351 4.019 20 10 DICDRN Cc1nc(-c2cccc(NCc3ccc(N(C)C)cc3C)c2)no1 ZINC000840926862 1047361588 /nfs/dbraw/zinc/36/15/88/1047361588.db2.gz ZQSOVTIJLCLUCD-UHFFFAOYSA-N 0 0 322.412 4.032 20 10 DICDRN CCC(=O)Nc1ccc(NCc2ccc(N(C)C)cc2C)cc1 ZINC000840923288 1047361832 /nfs/dbraw/zinc/36/18/32/1047361832.db2.gz OAEHUIROZOEBKM-UHFFFAOYSA-N 0 0 311.429 4.022 20 10 DICDRN CCCN(CCC)c1ccc(CN[C@H](C)c2csnn2)cc1 ZINC000840970802 1047364754 /nfs/dbraw/zinc/36/47/54/1047364754.db2.gz WNDPOBQTCGVIBQ-CQSZACIVSA-N 0 0 318.490 4.015 20 10 DICDRN CCCCCOc1cc(CNc2ccc(N)cc2)ccc1OC ZINC000841040146 1047374964 /nfs/dbraw/zinc/37/49/64/1047374964.db2.gz KEHGHUHIBDZAJU-UHFFFAOYSA-N 0 0 314.429 4.459 20 10 DICDRN C[C@H]1CCCc2ccccc2[C@H]1NC(=O)Nc1ccc(N)cc1 ZINC000841296066 1047399243 /nfs/dbraw/zinc/39/92/43/1047399243.db2.gz OFLRENKTJNUGKY-UGSOOPFHSA-N 0 0 309.413 4.104 20 10 DICDRN Nc1ccc(NC(=O)N(CCc2ccccc2)C2CCCC2)cc1 ZINC000841298733 1047400089 /nfs/dbraw/zinc/40/00/89/1047400089.db2.gz CYFJHRSSOVVOBA-UHFFFAOYSA-N 0 0 323.440 4.288 20 10 DICDRN Nc1ccc(NC(=O)N2CCC[C@H]2CCCc2ccccc2)cc1 ZINC000841298235 1047400334 /nfs/dbraw/zinc/40/03/34/1047400334.db2.gz OQIQXVVQQVHCAR-LJQANCHMSA-N 0 0 323.440 4.288 20 10 DICDRN Nc1ccc(NC(=O)N2CCCC3(CCCCC3)CC2)cc1 ZINC000841297522 1047400380 /nfs/dbraw/zinc/40/03/80/1047400380.db2.gz SAOMEVIGCLJQHU-UHFFFAOYSA-N 0 0 301.434 4.237 20 10 DICDRN Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)Nc1ccc(N)cc1 ZINC000841297832 1047400717 /nfs/dbraw/zinc/40/07/17/1047400717.db2.gz IQCNLTJXTLPOJT-KRWDZBQOSA-N 0 0 313.376 4.085 20 10 DICDRN Cc1ccc(C)c([C@@H]2CCCN2C(=O)Nc2ccc(N)cc2)c1 ZINC000841297438 1047400738 /nfs/dbraw/zinc/40/07/38/1047400738.db2.gz DXUFWGPRMMPZAG-SFHVURJKSA-N 0 0 309.413 4.255 20 10 DICDRN Cc1cc(F)ccc1[C@H]1CCCN1C(=O)Nc1ccc(N)cc1 ZINC000841297833 1047400742 /nfs/dbraw/zinc/40/07/42/1047400742.db2.gz IQCNLTJXTLPOJT-QGZVFWFLSA-N 0 0 313.376 4.085 20 10 DICDRN CN(Cc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(N)cc1 ZINC000841302080 1047401563 /nfs/dbraw/zinc/40/15/63/1047401563.db2.gz KZVAJIDSTCRQIA-UHFFFAOYSA-N 0 0 311.429 4.230 20 10 DICDRN CC[C@@H]1CN(C(=O)Nc2ccc(N)cc2)CC[C@@H]1c1ccccc1 ZINC000841300815 1047401590 /nfs/dbraw/zinc/40/15/90/1047401590.db2.gz UUHFSPIZVKAGSF-BEFAXECRSA-N 0 0 323.440 4.316 20 10 DICDRN Cc1ccccc1[C@@H](NC(=O)Nc1ccc(N)cc1)C(C)(C)C ZINC000841299576 1047401624 /nfs/dbraw/zinc/40/16/24/1047401624.db2.gz JCRLODFPYSGUCQ-QGZVFWFLSA-N 0 0 311.429 4.486 20 10 DICDRN C[C@@H](CC(C)(C)c1ccccc1)NC(=O)Nc1ccc(N)cc1 ZINC000841301717 1047401759 /nfs/dbraw/zinc/40/17/59/1047401759.db2.gz WZPMBQGNJOANNT-AWEZNQCLSA-N 0 0 311.429 4.147 20 10 DICDRN Nc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)cc1 ZINC000841301239 1047402076 /nfs/dbraw/zinc/40/20/76/1047402076.db2.gz GXBKKXSRMVOYTP-MSOLQXFVSA-N 0 0 309.413 4.117 20 10 DICDRN Nc1ccc(NC(=O)N[C@H]2CCCC[C@H]2c2ccccc2)cc1 ZINC000841301241 1047402180 /nfs/dbraw/zinc/40/21/80/1047402180.db2.gz GXBKKXSRMVOYTP-ROUUACIJSA-N 0 0 309.413 4.117 20 10 DICDRN Cc1cc(C)c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)o1 ZINC000749319667 1047408817 /nfs/dbraw/zinc/40/88/17/1047408817.db2.gz QKEAAMQSUWWVBN-UHFFFAOYSA-N 0 0 314.429 4.013 20 10 DICDRN C[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)C1CCCC1 ZINC000749362823 1047413881 /nfs/dbraw/zinc/41/38/81/1047413881.db2.gz DBNUXGAOGXXQCM-INIZCTEOSA-N 0 0 314.473 4.119 20 10 DICDRN C/C(=C\C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)C(C)(C)C ZINC001142418301 1047443640 /nfs/dbraw/zinc/44/36/40/1047443640.db2.gz CNLJBXIDNDFKLS-ASNKMWSDSA-N 0 0 316.489 4.101 20 10 DICDRN CCN(Cc1cnc2c(cnn2C(C)C)c1)c1ccc(OC)cc1 ZINC000749905710 1047446854 /nfs/dbraw/zinc/44/68/54/1047446854.db2.gz PFZPFAVQGQFTBV-UHFFFAOYSA-N 0 0 324.428 4.047 20 10 DICDRN O=C(CC1CCCCCC1)NCc1ccc(N2CCCC2)cc1 ZINC000749909757 1047447260 /nfs/dbraw/zinc/44/72/60/1047447260.db2.gz ATOMIFMFMIIHLT-UHFFFAOYSA-N 0 0 314.473 4.264 20 10 DICDRN C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(Cl)cc1O ZINC000841747093 1047448607 /nfs/dbraw/zinc/44/86/07/1047448607.db2.gz NQKZTZGWIZKRPT-LLVKDONJSA-N 0 0 322.811 4.102 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCc2c1cccc2O)c1ccc(Cl)cc1O ZINC000841748002 1047448921 /nfs/dbraw/zinc/44/89/21/1047448921.db2.gz VHKVRHVEXOMMJN-ZUZCIYMTSA-N 0 0 303.789 4.089 20 10 DICDRN C[C@H]([NH2+][C@H]1CCCC12CCOCC2)c1ccc(Cl)cc1[O-] ZINC000841750962 1047449813 /nfs/dbraw/zinc/44/98/13/1047449813.db2.gz DEZXMDQBWGYBNV-LRDDRELGSA-N 0 0 309.837 4.046 20 10 DICDRN COc1ccc(N[C@H](C)c2ccc(Cl)cc2O)cc1OC ZINC000841751171 1047449954 /nfs/dbraw/zinc/44/99/54/1047449954.db2.gz MCRFWXPGJBTBST-SNVBAGLBSA-N 0 0 307.777 4.236 20 10 DICDRN C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841748742 1047450358 /nfs/dbraw/zinc/45/03/58/1047450358.db2.gz YJBPQKSAIHOARD-NEPJUHHUSA-N 0 0 305.805 4.033 20 10 DICDRN Cc1cccc(CCC[NH2+][C@H](C)c2ccc(Cl)cc2[O-])n1 ZINC000841753240 1047451333 /nfs/dbraw/zinc/45/13/33/1047451333.db2.gz FOSGXEJJYBVWJV-CYBMUJFWSA-N 0 0 304.821 4.032 20 10 DICDRN O=C(CC1CCCCCC1)NCCCSc1nccs1 ZINC000749994707 1047451840 /nfs/dbraw/zinc/45/18/40/1047451840.db2.gz XKUWWCGHBVLEAU-UHFFFAOYSA-N 0 0 312.504 4.102 20 10 DICDRN Cc1csc([C@@H](C)C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])n1 ZINC000841751745 1047452430 /nfs/dbraw/zinc/45/24/30/1047452430.db2.gz CPRUNGWKGMEZNN-ONGXEEELSA-N 0 0 310.850 4.265 20 10 DICDRN C[C@H](Nc1ccc2c(c1)OCCCO2)c1ccc(Cl)cc1O ZINC000841753397 1047452492 /nfs/dbraw/zinc/45/24/92/1047452492.db2.gz ZLMACGIFAKUPIT-NSHDSACASA-N 0 0 319.788 4.380 20 10 DICDRN Cc1nc(C)c(CC[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])s1 ZINC000841762231 1047455651 /nfs/dbraw/zinc/45/56/51/1047455651.db2.gz IDJKISBLXYVOHO-VIFPVBQESA-N 0 0 310.850 4.012 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1COCc2ccccc21 ZINC000841890213 1047461494 /nfs/dbraw/zinc/46/14/94/1047461494.db2.gz GPXYOFZNNXGTDZ-HNNXBMFYSA-N 0 0 324.207 4.060 20 10 DICDRN O=C(NC1CCCCC1)c1ccc(NCc2ccccc2O)cc1 ZINC000842214234 1047472431 /nfs/dbraw/zinc/47/24/31/1047472431.db2.gz LUIXQDCIQFJVTP-UHFFFAOYSA-N 0 0 324.424 4.067 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC001142769926 1047492893 /nfs/dbraw/zinc/49/28/93/1047492893.db2.gz VSWXEXOPKSGPPK-LSDHHAIUSA-N 0 0 314.454 4.074 20 10 DICDRN C[C@H]([NH2+][C@H]1CCS[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000842927871 1047514012 /nfs/dbraw/zinc/51/40/12/1047514012.db2.gz GGILMHXMGCRXFR-LAEOZQHASA-N 0 0 306.258 4.244 20 10 DICDRN CC[C@@H](Oc1cccc(C)c1)c1nc(Cc2ccc(N)cc2)no1 ZINC000843158944 1047529886 /nfs/dbraw/zinc/52/98/86/1047529886.db2.gz IVULQTKXPFGTBV-QGZVFWFLSA-N 0 0 323.396 4.081 20 10 DICDRN CC[C@@H](C)Oc1ccc(-c2noc(Cc3ccc(N)cc3)n2)cc1 ZINC000843187209 1047530750 /nfs/dbraw/zinc/53/07/50/1047530750.db2.gz MGKHWRSKTFQQGI-CYBMUJFWSA-N 0 0 323.396 4.087 20 10 DICDRN Cc1cc(C(=O)N[C@H]2C=CCCC2)c(C)n1-c1cccc(C)c1 ZINC001150006999 1047572900 /nfs/dbraw/zinc/57/29/00/1047572900.db2.gz IEXNCQQNXJBYTI-KRWDZBQOSA-N 0 0 308.425 4.241 20 10 DICDRN Cc1cc(C(=O)N[C@@H]2C=CCCC2)c(C)n1-c1cccc(C)c1 ZINC001150007000 1047573046 /nfs/dbraw/zinc/57/30/46/1047573046.db2.gz IEXNCQQNXJBYTI-QGZVFWFLSA-N 0 0 308.425 4.241 20 10 DICDRN CC(C)CCCCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001150378333 1047576318 /nfs/dbraw/zinc/57/63/18/1047576318.db2.gz PMQKZAIGPCAIRB-UHFFFAOYSA-N 0 0 303.446 4.104 20 10 DICDRN CC[C@H](CC(=O)NCc1c(O)ccc2c1CCCC2)C(C)(C)C ZINC001150387790 1047576461 /nfs/dbraw/zinc/57/64/61/1047576461.db2.gz SYKOLWOTURLJKH-OAHLLOKOSA-N 0 0 317.473 4.350 20 10 DICDRN Cc1cc(C(=O)NCc2ccccc2O)sc1-c1ccccc1 ZINC001150535572 1047578470 /nfs/dbraw/zinc/57/84/70/1047578470.db2.gz DTYKRPQFABLGLQ-UHFFFAOYSA-N 0 0 323.417 4.359 20 10 DICDRN C[C@H](NC(=O)Cc1cccc(Cl)c1Cl)c1ccccc1O ZINC001151892403 1047603379 /nfs/dbraw/zinc/60/33/79/1047603379.db2.gz QMZOOGZRCYOVKY-JTQLQIEISA-N 0 0 324.207 4.119 20 10 DICDRN Cc1cc(C(=O)NCCC2(C)CC2)c(C)n1-c1cccc(C)c1 ZINC001156811012 1047723701 /nfs/dbraw/zinc/72/37/01/1047723701.db2.gz JWQNUFHLSXGCIN-UHFFFAOYSA-N 0 0 310.441 4.323 20 10 DICDRN CC[C@@H]1C[C@H]1CNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC001158615080 1047792720 /nfs/dbraw/zinc/79/27/20/1047792720.db2.gz ULHLLGPKZOYWSD-SJORKVTESA-N 0 0 310.441 4.178 20 10 DICDRN Cc1ccc2c(c1)nc(Cl)cc2NCc1ccc(O)c(O)c1 ZINC001158996097 1047807137 /nfs/dbraw/zinc/80/71/37/1047807137.db2.gz VHTVITWEQZWJKS-UHFFFAOYSA-N 0 0 314.772 4.220 20 10 DICDRN Nc1ccc(Cc2ccc(Nc3cnn(CC4CC4)c3)cc2)cc1 ZINC001174469218 1047845222 /nfs/dbraw/zinc/84/52/22/1047845222.db2.gz BFKYUSHPWIMATR-UHFFFAOYSA-N 0 0 318.424 4.210 20 10 DICDRN Oc1ccc(Br)cc1Nc1ccc2c(c1)CCCN2 ZINC001159477475 1047853240 /nfs/dbraw/zinc/85/32/40/1047853240.db2.gz HEHSULDYLPWJJA-UHFFFAOYSA-N 0 0 319.202 4.256 20 10 DICDRN Nc1ccc(Nc2cccc(C(=O)Nc3ccccc3)c2)cc1 ZINC001159485865 1047855052 /nfs/dbraw/zinc/85/50/52/1047855052.db2.gz SEHQOGGYIQOWAD-UHFFFAOYSA-N 0 0 303.365 4.265 20 10 DICDRN Cc1cc(F)cc(-n2c(N)c(/N=N/c3ccccc3)ccc2=N)c1 ZINC001174528416 1047859283 /nfs/dbraw/zinc/85/92/83/1047859283.db2.gz JJSNBGYEJJIBFE-UKLSTIIHSA-N 0 0 321.359 4.402 20 10 DICDRN Nc1ccc(Nc2cccc(C(=O)NC3CCCCC3)c2)cc1 ZINC001159517140 1047859743 /nfs/dbraw/zinc/85/97/43/1047859743.db2.gz ZCJCGSKQHIQQKH-UHFFFAOYSA-N 0 0 309.413 4.075 20 10 DICDRN Fc1cc(Nc2ccc3c(c2)CCN3)cc(F)c1OC(F)F ZINC001159522981 1047859949 /nfs/dbraw/zinc/85/99/49/1047859949.db2.gz RUCSCWCVLIBDQQ-UHFFFAOYSA-N 0 0 312.266 4.278 20 10 DICDRN CC(C)Oc1ccc(F)c(Nc2ccc3c(c2)CCN3)c1F ZINC001159522026 1047860584 /nfs/dbraw/zinc/86/05/84/1047860584.db2.gz AMWRJULKIMXZTC-UHFFFAOYSA-N 0 0 304.340 4.464 20 10 DICDRN COc1cc(Nc2ccc3c(c2)CCN3)c(F)c(F)c1Cl ZINC001159522018 1047860878 /nfs/dbraw/zinc/86/08/78/1047860878.db2.gz AIODQXPNWSTGDQ-UHFFFAOYSA-N 0 0 310.731 4.338 20 10 DICDRN Nc1ccc(N(c2ccc(N)cc2)c2ccc3c[nH]nc3c2)cc1 ZINC001174501576 1047871043 /nfs/dbraw/zinc/87/10/43/1047871043.db2.gz ZUPIDJUQTLHYFR-UHFFFAOYSA-N 0 0 315.380 4.197 20 10 DICDRN O=C(NCc1ccc(N2CCCCC2)cc1)C1=CCCCCC1 ZINC000775825618 1047929412 /nfs/dbraw/zinc/92/94/12/1047929412.db2.gz WRFOYFOEHJJNQX-UHFFFAOYSA-N 0 0 312.457 4.184 20 10 DICDRN CCCc1nc(CN[C@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000775830637 1047935607 /nfs/dbraw/zinc/93/56/07/1047935607.db2.gz LKUIPDFLNIFTHT-CYBMUJFWSA-N 0 0 303.475 4.012 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1048562239 /nfs/dbraw/zinc/56/22/39/1048562239.db2.gz CQCAWMXUCKDEHI-UHFFFAOYSA-N 0 0 312.800 4.016 20 10 DICDRN COc1ccncc1Nc1ccc(Cc2ccc(N)cc2)cc1 ZINC001176123208 1048575599 /nfs/dbraw/zinc/57/55/99/1048575599.db2.gz PSMQTLUQJDEOQS-UHFFFAOYSA-N 0 0 305.381 4.007 20 10 DICDRN C[C@@H]1CC[C@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000776446373 1048606473 /nfs/dbraw/zinc/60/64/73/1048606473.db2.gz FTXYDBGJCCVMRH-AEFFLSMTSA-N 0 0 314.473 4.072 20 10 DICDRN C[C@H](Sc1ncc(Cl)s1)C(=O)N(C)C1CCCCC1 ZINC000849998384 1048608105 /nfs/dbraw/zinc/60/81/05/1048608105.db2.gz OGODQSPMMQUVQP-VIFPVBQESA-N 0 0 318.895 4.068 20 10 DICDRN CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1ncc(Cl)s1 ZINC000849997911 1048608234 /nfs/dbraw/zinc/60/82/34/1048608234.db2.gz GXPYWOGUDWFYCW-NXEZZACHSA-N 0 0 318.895 4.068 20 10 DICDRN CCC(C)(C)NC(=O)[C@H](Sc1ncc(Cl)s1)C(C)C ZINC000849999655 1048610110 /nfs/dbraw/zinc/61/01/10/1048610110.db2.gz WCELXPLXUVOLCW-SNVBAGLBSA-N 0 0 320.911 4.218 20 10 DICDRN COc1ccc(N(Cc2ccccc2)c2ccc(N)cc2)cc1O ZINC001176259350 1048624824 /nfs/dbraw/zinc/62/48/24/1048624824.db2.gz HZAYWEKBORWMAK-UHFFFAOYSA-N 0 0 320.392 4.321 20 10 DICDRN COC(=O)c1cnc(S[C@@H](C)CCc2ccccc2)s1 ZINC001189408010 1048627439 /nfs/dbraw/zinc/62/74/39/1048627439.db2.gz SPPPCIYRBSZSTH-NSHDSACASA-N 0 0 307.440 4.043 20 10 DICDRN Cc1ncc(C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])s1 ZINC000179382485 1048639423 /nfs/dbraw/zinc/63/94/23/1048639423.db2.gz LZOKSMWBNWUSKA-UHFFFAOYSA-N 0 0 317.241 4.096 20 10 DICDRN Oc1cccc(Cl)c1CNc1ccc2c(c1)[C@H](O)CCCC2 ZINC000850363064 1048640955 /nfs/dbraw/zinc/64/09/55/1048640955.db2.gz QTJPNGCYWKATOO-QGZVFWFLSA-N 0 0 317.816 4.418 20 10 DICDRN C[C@]1(CC[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1(F)F ZINC000850380726 1048643926 /nfs/dbraw/zinc/64/39/26/1048643926.db2.gz KQQHHYWOUVQIFC-LBPRGKRZSA-N 0 0 310.171 4.224 20 10 DICDRN CC1(C)[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1(F)F ZINC000850394063 1048646652 /nfs/dbraw/zinc/64/66/52/1048646652.db2.gz JHMCIXFARYLDAL-JTQLQIEISA-N 0 0 310.171 4.080 20 10 DICDRN CCN(CC)c1ccc(/N=N/c2ccccc2C(=O)NC=N)cc1 ZINC001189712618 1048655337 /nfs/dbraw/zinc/65/53/37/1048655337.db2.gz LPTPBSIFEIOMTN-QURGRASLSA-N 0 0 323.400 4.285 20 10 DICDRN Nc1ccc(N(Cc2ccccc2)c2csc(CO)c2)cc1 ZINC001176369785 1048663850 /nfs/dbraw/zinc/66/38/50/1048663850.db2.gz SXKZAFRKXKKCJG-UHFFFAOYSA-N 0 0 310.422 4.161 20 10 DICDRN C[C@H](Sc1ncc(Cl)s1)c1cn(-c2ccccc2)nn1 ZINC001189831000 1048670049 /nfs/dbraw/zinc/67/00/49/1048670049.db2.gz DCLICHYXXKZUCC-VIFPVBQESA-N 0 0 322.846 4.231 20 10 DICDRN C[C@@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])c1cscn1 ZINC000850511762 1048674161 /nfs/dbraw/zinc/67/41/61/1048674161.db2.gz MRFAZHXHHJCBGA-RKDXNWHRSA-N 0 0 316.348 4.279 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1cscn1)c1cccc(C(F)(F)F)c1[O-] ZINC000850511759 1048675435 /nfs/dbraw/zinc/67/54/35/1048675435.db2.gz MRFAZHXHHJCBGA-BDAKNGLRSA-N 0 0 316.348 4.279 20 10 DICDRN C[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000850523546 1048676857 /nfs/dbraw/zinc/67/68/57/1048676857.db2.gz LBRJXQOJSFYDHF-ZJUUUORDSA-N 0 0 316.228 4.061 20 10 DICDRN Nc1ccc(Cc2ccccc2Nc2ccc(O)cc2F)cc1 ZINC001176411883 1048678295 /nfs/dbraw/zinc/67/82/95/1048678295.db2.gz JGIKVJNDILNPHF-UHFFFAOYSA-N 0 0 308.356 4.448 20 10 DICDRN COc1cc(N[C@@H](C)c2ccc(C)cc2O)ccc1OC(F)F ZINC000850562200 1048692950 /nfs/dbraw/zinc/69/29/50/1048692950.db2.gz RLDZQUDCOZAFHV-NSHDSACASA-N 0 0 323.339 4.484 20 10 DICDRN CC[C@H](Nc1cccc(-c2cn(C)nn2)c1)c1ccc(C)cc1O ZINC000850563852 1048694792 /nfs/dbraw/zinc/69/47/92/1048694792.db2.gz GUIXQXCUNQEOBC-KRWDZBQOSA-N 0 0 322.412 4.059 20 10 DICDRN CCCOc1cncc(NCc2cc(Cl)c(C)cc2O)c1 ZINC001206706931 1048707858 /nfs/dbraw/zinc/70/78/58/1048707858.db2.gz DNRMRYGSNHTETN-UHFFFAOYSA-N 0 0 306.793 4.150 20 10 DICDRN CCCCCC[C@](C)(CC)C(=O)NCc1cccc(O)c1O ZINC001176566282 1048727264 /nfs/dbraw/zinc/72/72/64/1048727264.db2.gz TZVLYXWPQIJUAU-SFHVURJKSA-N 0 0 307.434 4.101 20 10 DICDRN COc1ccc(O)cc1Nc1ccc(Cc2ccc(N)cc2)cc1 ZINC001176580003 1048733687 /nfs/dbraw/zinc/73/36/87/1048733687.db2.gz HOWLIPXQSYFKPN-UHFFFAOYSA-N 0 0 320.392 4.317 20 10 DICDRN c1csc(SCc2nn(-c3ccccc3)c3c2CCC3)n1 ZINC000109704565 1048734380 /nfs/dbraw/zinc/73/43/80/1048734380.db2.gz JUKMUULDZHWFFP-UHFFFAOYSA-N 0 0 313.451 4.110 20 10 DICDRN COC(=O)c1cnc(SCc2cccc3ccccc32)s1 ZINC001166227673 1048741652 /nfs/dbraw/zinc/74/16/52/1048741652.db2.gz QOVOGUCINAYXPP-UHFFFAOYSA-N 0 0 315.419 4.375 20 10 DICDRN CSc1cccc(NC(=O)N(C)Cc2ccccc2O)c1C ZINC000775398639 1048765090 /nfs/dbraw/zinc/76/50/90/1048765090.db2.gz BZESGXITIYUSBB-UHFFFAOYSA-N 0 0 316.426 4.086 20 10 DICDRN Cc1ccc(/C=C\CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775401982 1048766559 /nfs/dbraw/zinc/76/65/59/1048766559.db2.gz AEMCKQSGUONQHJ-KEGWNNHHSA-N 0 0 322.452 4.342 20 10 DICDRN COc1ccc(N(C)Cc2cccc(Cl)c2F)cc1OC ZINC001190674874 1048776108 /nfs/dbraw/zinc/77/61/08/1048776108.db2.gz ZJWLESJSGDIRMI-UHFFFAOYSA-N 0 0 309.768 4.133 20 10 DICDRN C[C@@H](NC(=O)Nc1ccccc1Cl)c1ccc(N(C)C)cc1 ZINC000775410537 1048784235 /nfs/dbraw/zinc/78/42/35/1048784235.db2.gz UDCOQPRFJKTMRX-GFCCVEGCSA-N 0 0 317.820 4.289 20 10 DICDRN CCCc1cc(C(=O)NCc2ccc(N(C)C)cc2)sc1C ZINC000008171740 1048820154 /nfs/dbraw/zinc/82/01/54/1048820154.db2.gz BBDBSUGCEDHSRV-UHFFFAOYSA-N 0 0 316.470 4.005 20 10 DICDRN C[C@@H](NC(=O)N1C[C@H](C)CCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000773610320 1048820403 /nfs/dbraw/zinc/82/04/03/1048820403.db2.gz CUIIHNRYGXCVGR-BZUAXINKSA-N 0 0 317.477 4.034 20 10 DICDRN C[C@@H](NC(=O)N1C[C@H](C)CCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000773610332 1048820526 /nfs/dbraw/zinc/82/05/26/1048820526.db2.gz CUIIHNRYGXCVGR-OWCLPIDISA-N 0 0 317.477 4.034 20 10 DICDRN C[C@H](NC(=O)N1Cc2ccccc2[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000773613386 1048841354 /nfs/dbraw/zinc/84/13/54/1048841354.db2.gz QLFIXRLAHKBITH-GJZGRUSLSA-N 0 0 323.440 4.100 20 10 DICDRN CCC(CC)CN(CC)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773627928 1048853601 /nfs/dbraw/zinc/85/36/01/1048853601.db2.gz ZVBOVCLYJLWMMA-OAHLLOKOSA-N 0 0 319.493 4.281 20 10 DICDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC001177337970 1048871161 /nfs/dbraw/zinc/87/11/61/1048871161.db2.gz QIGRKSFZWBANIG-UHFFFAOYSA-N 0 0 315.319 4.220 20 10 DICDRN CC(C)(C)c1ccc(NC(=O)N2CCc3cccc(O)c3C2)cc1 ZINC001191144688 1048877235 /nfs/dbraw/zinc/87/72/35/1048877235.db2.gz LQAFXMABSLOQPT-UHFFFAOYSA-N 0 0 324.424 4.280 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCO2)c1ccc(F)cc1[O-] ZINC000853239465 1048889065 /nfs/dbraw/zinc/88/90/65/1048889065.db2.gz BNLYFYPNSZCEMD-QWHCGFSZSA-N 0 0 315.388 4.268 20 10 DICDRN C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccc2c(c1)CCCO2 ZINC000853239463 1048889162 /nfs/dbraw/zinc/88/91/62/1048889162.db2.gz BNLYFYPNSZCEMD-CHWSQXEVSA-N 0 0 315.388 4.268 20 10 DICDRN CCc1ccccc1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775449632 1048928348 /nfs/dbraw/zinc/92/83/48/1048928348.db2.gz ILLLCOYMLSUEIK-CQSZACIVSA-N 0 0 311.429 4.198 20 10 DICDRN Oc1ccccc1CN1Cc2nc(-c3ccccc3)sc2C1 ZINC001203562535 1048930603 /nfs/dbraw/zinc/93/06/03/1048930603.db2.gz JSVGQZZHQHVGGJ-UHFFFAOYSA-N 0 0 308.406 4.032 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H](C(F)F)C1 ZINC001203580892 1048935747 /nfs/dbraw/zinc/93/57/47/1048935747.db2.gz WKTPXPHMDSHXDK-QMMMGPOBSA-N 0 0 310.171 4.176 20 10 DICDRN COCC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203581001 1048935805 /nfs/dbraw/zinc/93/58/05/1048935805.db2.gz YDPMJWULRUOWCA-CYBMUJFWSA-N 0 0 318.244 4.090 20 10 DICDRN COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203580630 1048935817 /nfs/dbraw/zinc/93/58/17/1048935817.db2.gz UMAMMUDGRPVTHI-ZDUSSCGKSA-N 0 0 318.244 4.088 20 10 DICDRN Cc1cccc2c1CC[C@H]2[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001177774341 1048936569 /nfs/dbraw/zinc/93/65/69/1048936569.db2.gz JODBPOAQSCZOJX-MRXNPFEDSA-N 0 0 305.780 4.270 20 10 DICDRN COc1cccc(C[N@@H+]2CCC[C@@H]2c2cc(F)ccc2F)c1O ZINC001203595537 1048937559 /nfs/dbraw/zinc/93/75/59/1048937559.db2.gz HOUBDFKCHLIUMR-MRXNPFEDSA-N 0 0 319.351 4.016 20 10 DICDRN Cc1cncc(/C=C\C(=O)N2CC(C)(C)Sc3ccccc32)c1 ZINC001126983484 1048942217 /nfs/dbraw/zinc/94/22/17/1048942217.db2.gz KXHOXEPYEGHJPO-HJWRWDBZSA-N 0 0 324.449 4.321 20 10 DICDRN Cc1ccsc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000112017550 1048955504 /nfs/dbraw/zinc/95/55/04/1048955504.db2.gz JGNFRWXBFXSXPT-UHFFFAOYSA-N 0 0 302.226 4.359 20 10 DICDRN CC(C)COc1ccc(CNc2ccc3c(c2)ncn3C)cc1 ZINC001178037495 1048981660 /nfs/dbraw/zinc/98/16/60/1048981660.db2.gz MWXXQGRCEKVGEU-UHFFFAOYSA-N 0 0 309.413 4.220 20 10 DICDRN Cn1cnc2cc(NCc3cc(Cl)cc4cccnc43)ccc21 ZINC001178037427 1048982998 /nfs/dbraw/zinc/98/29/98/1048982998.db2.gz JWPLJYDDGWVIAA-UHFFFAOYSA-N 0 0 322.799 4.387 20 10 DICDRN CCN(Cc1ccccc1O)C(=O)Nc1cc(C)ccc1Cl ZINC001191692971 1048986161 /nfs/dbraw/zinc/98/61/61/1048986161.db2.gz AFWNISZDEKJKFU-UHFFFAOYSA-N 0 0 318.804 4.408 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)COc1ccc(F)cc1F)c1ccccc1O ZINC000775487456 1049008287 /nfs/dbraw/zinc/00/82/87/1049008287.db2.gz CAUCUXFEORXCDA-MLGOLLRUSA-N 0 0 321.367 4.179 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccc([C@H](C)O)cc1)c1cc(Cl)ccc1O ZINC000775491033 1049012513 /nfs/dbraw/zinc/01/25/13/1049012513.db2.gz XYOUWOCMFCCPHP-YVEFUNNKSA-N 0 0 319.832 4.340 20 10 DICDRN CC[C@@H]([NH2+]CCc1ccc(O)cc1)c1cc(Cl)ccc1O ZINC000775491141 1049014156 /nfs/dbraw/zinc/01/41/56/1049014156.db2.gz YVGZWWIOLRCNEP-MRXNPFEDSA-N 0 0 305.805 4.035 20 10 DICDRN COc1ccc(N(C)C[C@@H]2CC[C@@H](c3ccccc3)O2)cc1F ZINC001191890737 1049014915 /nfs/dbraw/zinc/01/49/15/1049014915.db2.gz ASTPTQLRRREOHZ-WMZOPIPTSA-N 0 0 315.388 4.191 20 10 DICDRN CCSCCN(CCc1ccccc1)c1ccc(OC)cc1 ZINC001191892582 1049015464 /nfs/dbraw/zinc/01/54/64/1049015464.db2.gz YZAFXOLBWSUZAC-UHFFFAOYSA-N 0 0 315.482 4.497 20 10 DICDRN CC(C)(C)C[C@@H](NCc1ccc2c(c1)CCO2)C(F)(F)F ZINC001178346029 1049017573 /nfs/dbraw/zinc/01/75/73/1049017573.db2.gz DJKYANCIBXDMHG-CQSZACIVSA-N 0 0 301.352 4.078 20 10 DICDRN Oc1ccc(CN2CCC[C@@H]2c2ccc(Cl)cc2)cc1O ZINC001203879611 1049020332 /nfs/dbraw/zinc/02/03/32/1049020332.db2.gz UXLOUGKFCAWGFA-OAHLLOKOSA-N 0 0 303.789 4.088 20 10 DICDRN C[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001178317062 1049020422 /nfs/dbraw/zinc/02/04/22/1049020422.db2.gz FNVKEDBZHWLXHH-GTNSWQLSSA-N 0 0 303.352 4.084 20 10 DICDRN CC(=O)c1cc(F)cc(CN(c2ccccc2C)C(C)C)c1O ZINC001191998850 1049023340 /nfs/dbraw/zinc/02/33/40/1049023340.db2.gz VHBYWPNFRXZTCO-UHFFFAOYSA-N 0 0 315.388 4.457 20 10 DICDRN CC[C@H]([NH2+]CC(O)(CC)CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775498151 1049031852 /nfs/dbraw/zinc/03/18/52/1049031852.db2.gz XMYVECHQBGVPGS-LBPRGKRZSA-N 0 0 320.260 4.291 20 10 DICDRN CCOc1ccc(N(CC)C[C@H](O)[C@@H](C)c2ccccc2)cc1 ZINC001192012725 1049031935 /nfs/dbraw/zinc/03/19/35/1049031935.db2.gz JRPOVNWDCQGKPT-JXFKEZNVSA-N 0 0 313.441 4.076 20 10 DICDRN CCN(CC)c1ccc(CN2CCCC(F)(F)[C@@H](F)C2)cc1 ZINC001203939819 1049036089 /nfs/dbraw/zinc/03/60/89/1049036089.db2.gz FHTWBQORLNXIPE-INIZCTEOSA-N 0 0 314.395 4.102 20 10 DICDRN CC[C@H]([NH2+]CCN(C)C(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775501918 1049038164 /nfs/dbraw/zinc/03/81/64/1049038164.db2.gz UHYUXHJPGADKJU-ZDUSSCGKSA-N 0 0 319.276 4.080 20 10 DICDRN CCN(Cc1cc(F)ccc1F)c1ccc(OC)c(OC)c1 ZINC001192108064 1049039995 /nfs/dbraw/zinc/03/99/95/1049039995.db2.gz PQWPCFVXDGXSHJ-UHFFFAOYSA-N 0 0 307.340 4.009 20 10 DICDRN CCN(Cc1sccc1Cl)c1ccc(OC)c(OC)c1 ZINC001192108281 1049040225 /nfs/dbraw/zinc/04/02/25/1049040225.db2.gz SXQLBGOTFZDFHP-UHFFFAOYSA-N 0 0 311.834 4.445 20 10 DICDRN CC[C@@H]([NH2+][C@H](C)CSC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775509781 1049053359 /nfs/dbraw/zinc/05/33/59/1049053359.db2.gz QLJDVBGJUPNDCG-LDYMZIIASA-N 0 0 308.274 4.491 20 10 DICDRN CC[C@@H]([NH2+]CCCSC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775506509 1049047140 /nfs/dbraw/zinc/04/71/40/1049047140.db2.gz AHCZEPMFPPMEQI-LLVKDONJSA-N 0 0 308.274 4.493 20 10 DICDRN CC[C@H]([NH2+]C[C@]1(C)CCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775503642 1049047154 /nfs/dbraw/zinc/04/71/54/1049047154.db2.gz LITSOXJJTMNCSG-WFASDCNBSA-N 0 0 318.244 4.166 20 10 DICDRN CC(C)Oc1cccnc1NC/C=C/c1ccc(N(C)C)cc1 ZINC001178505775 1049047001 /nfs/dbraw/zinc/04/70/01/1049047001.db2.gz XHMKQERSEUQDQO-FNORWQNLSA-N 0 0 311.429 4.060 20 10 DICDRN CC[C@H]([NH2+][C@H](C)CSC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775509776 1049052678 /nfs/dbraw/zinc/05/26/78/1049052678.db2.gz QLJDVBGJUPNDCG-KCJUWKMLSA-N 0 0 308.274 4.491 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)CSC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775509773 1049053255 /nfs/dbraw/zinc/05/32/55/1049053255.db2.gz QLJDVBGJUPNDCG-GZMMTYOYSA-N 0 0 308.274 4.491 20 10 DICDRN CC[C@H]([NH2+]C[C@@H](OC)C(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775511640 1049056601 /nfs/dbraw/zinc/05/66/01/1049056601.db2.gz FZJYPIYVGSUWSN-QWHCGFSZSA-N 0 0 320.260 4.411 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC001204002873 1049059295 /nfs/dbraw/zinc/05/92/95/1049059295.db2.gz VMTWLTHMGSOPEK-UHFFFAOYSA-N 0 0 321.751 4.416 20 10 DICDRN Cc1ccc(C)n1-c1ccc(-c2nc(C3CCOCC3)no2)cc1 ZINC000113748945 1049063446 /nfs/dbraw/zinc/06/34/46/1049063446.db2.gz YTRXVVNDLXWNKM-UHFFFAOYSA-N 0 0 323.396 4.038 20 10 DICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC001178576485 1049063711 /nfs/dbraw/zinc/06/37/11/1049063711.db2.gz OMYYQMQBETZVSX-AULYBMBSSA-N 0 0 323.770 4.360 20 10 DICDRN Cc1cc(C)c(CNC(=O)Nc2ccccc2C(C)C)c(O)c1 ZINC001192274690 1049073318 /nfs/dbraw/zinc/07/33/18/1049073318.db2.gz CZPUJZAPWAPEOR-UHFFFAOYSA-N 0 0 312.413 4.454 20 10 DICDRN Cc1cccc(C2=CCN(C(=O)Nc3ccc(N)cc3)CC2)c1C ZINC000904500478 1049075415 /nfs/dbraw/zinc/07/54/15/1049075415.db2.gz MSRRNRRZHMADBW-UHFFFAOYSA-N 0 0 321.424 4.207 20 10 DICDRN CC[C@H]([NH2+]C[C@H](C)SC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775522884 1049082421 /nfs/dbraw/zinc/08/24/21/1049082421.db2.gz AMZXTGASPARALV-KWQFWETISA-N 0 0 308.274 4.491 20 10 DICDRN CC[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775523540 1049086209 /nfs/dbraw/zinc/08/62/09/1049086209.db2.gz KNVKJEAXXPRBKM-GIPNMCIBSA-N 0 0 318.244 4.043 20 10 DICDRN CC[C@@H](O)CCC[NH2+][C@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775525836 1049091584 /nfs/dbraw/zinc/09/15/84/1049091584.db2.gz GATPYYIAKXFABR-ZWNOBZJWSA-N 0 0 320.260 4.291 20 10 DICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC001178827004 1049097023 /nfs/dbraw/zinc/09/70/23/1049097023.db2.gz KQXQTZFWBXGNFA-OAHLLOKOSA-N 0 0 323.770 4.491 20 10 DICDRN COc1ccc(N(C)Cc2cccc(Cl)c2F)c(OC)c1 ZINC001192399739 1049098682 /nfs/dbraw/zinc/09/86/82/1049098682.db2.gz BBZDGUZHDJCYIQ-UHFFFAOYSA-N 0 0 309.768 4.133 20 10 DICDRN CCCc1ccc(/C=C2\SC(=S)N(C3CC3)C2=O)s1 ZINC000856716970 1049100431 /nfs/dbraw/zinc/10/04/31/1049100431.db2.gz AHVVPWWJQOUBDZ-WQLSENKSSA-N 0 0 309.481 4.064 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775525458 1049100983 /nfs/dbraw/zinc/10/09/83/1049100983.db2.gz ZMHGVBZHEDUDQP-QPUJVOFHSA-N 0 0 314.216 4.224 20 10 DICDRN COc1ccc(N(C)CC[C@H]2CCc3ccccc32)c(OC)c1 ZINC001192402139 1049101285 /nfs/dbraw/zinc/10/12/85/1049101285.db2.gz SZARQULTZNHCGJ-MRXNPFEDSA-N 0 0 311.425 4.260 20 10 DICDRN Cc1cccc(CNC(=O)Nc2ccc3sccc3c2)c1O ZINC001192467280 1049102981 /nfs/dbraw/zinc/10/29/81/1049102981.db2.gz FZTNSAJDEVUYBQ-UHFFFAOYSA-N 0 0 312.394 4.237 20 10 DICDRN CC[C@@H]([NH2+][C@@H]1CCSC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775527307 1049103012 /nfs/dbraw/zinc/10/30/12/1049103012.db2.gz QFEXDRYAUNCDAI-LDYMZIIASA-N 0 0 306.258 4.245 20 10 DICDRN CC[C@H](Nc1cnn(CC(F)F)c1)c1cc(Cl)ccc1O ZINC000775539817 1049123557 /nfs/dbraw/zinc/12/35/57/1049123557.db2.gz HIOFMCFPXQZPLH-LBPRGKRZSA-N 0 0 315.751 4.070 20 10 DICDRN CC[C@H](Nc1cnn(-c2ccccc2)c1C)c1ccccc1O ZINC000775546506 1049135981 /nfs/dbraw/zinc/13/59/81/1049135981.db2.gz LTMLNALXRRECOE-KRWDZBQOSA-N 0 0 307.397 4.450 20 10 DICDRN CC[C@@H](Nc1cn(-c2ccccc2)nc1C)c1ccccc1O ZINC000775547700 1049137985 /nfs/dbraw/zinc/13/79/85/1049137985.db2.gz QDAVZZLPANIIBY-QGZVFWFLSA-N 0 0 307.397 4.450 20 10 DICDRN CC[C@@H]([NH2+]CC1(OC)CCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775545633 1049138134 /nfs/dbraw/zinc/13/81/34/1049138134.db2.gz CGAFMEZITRCZMR-GFCCVEGCSA-N 0 0 318.244 4.309 20 10 DICDRN CC(C)c1cccc(CC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000857433639 1049146493 /nfs/dbraw/zinc/14/64/93/1049146493.db2.gz KIXODGKBODEONT-UHFFFAOYSA-N 0 0 324.468 4.077 20 10 DICDRN C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC001204542904 1049185203 /nfs/dbraw/zinc/18/52/03/1049185203.db2.gz JLJBZWFYJNJVCR-CJNGLKHVSA-N 0 0 301.817 4.424 20 10 DICDRN CC(C)c1ccccc1NC(=O)c1ccc(O)c(O)c1Cl ZINC001193209930 1049188655 /nfs/dbraw/zinc/18/86/55/1049188655.db2.gz RFJUVZCQJXFWSG-UHFFFAOYSA-N 0 0 305.761 4.127 20 10 DICDRN CCN(C)c1ccc(CN[C@@H](C)c2c(F)cccc2F)cc1 ZINC000773822045 1049192468 /nfs/dbraw/zinc/19/24/68/1049192468.db2.gz RMBSLNJCYXTGRM-ZDUSSCGKSA-N 0 0 304.384 4.272 20 10 DICDRN CC(C)(C)c1cccc(NC(=O)c2ccc(O)c(O)c2Cl)c1 ZINC001193230559 1049192620 /nfs/dbraw/zinc/19/26/20/1049192620.db2.gz VDRUGZOAMXMGFO-UHFFFAOYSA-N 0 0 319.788 4.301 20 10 DICDRN CC[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC001193462625 1049211624 /nfs/dbraw/zinc/21/16/24/1049211624.db2.gz WVTXJOCJBBNUKM-DYVFJYSZSA-N 0 0 307.409 4.135 20 10 DICDRN CCc1nc([C@H](C)NCc2ccc(N(C)CC)cc2)cs1 ZINC000773834880 1049216523 /nfs/dbraw/zinc/21/65/23/1049216523.db2.gz CDYUGRMHHZXAQR-ZDUSSCGKSA-N 0 0 303.475 4.012 20 10 DICDRN CSc1ccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)cc1 ZINC000858107260 1049216905 /nfs/dbraw/zinc/21/69/05/1049216905.db2.gz MNDJOQOFTZELEL-UHFFFAOYSA-N 0 0 322.424 4.043 20 10 DICDRN CCN(CC)c1ccc(CNCc2ccncc2Cl)cc1F ZINC000858132405 1049221467 /nfs/dbraw/zinc/22/14/67/1049221467.db2.gz CHFNGMUZLGXXJP-UHFFFAOYSA-N 0 0 321.827 4.010 20 10 DICDRN CC[C@H](C)n1ncc(NCc2cc(F)c(N(C)C)cc2F)c1C ZINC000858160507 1049224173 /nfs/dbraw/zinc/22/41/73/1049224173.db2.gz LOVCERXWJZYYGU-NSHDSACASA-N 0 0 322.403 4.119 20 10 DICDRN C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC001179937977 1049232671 /nfs/dbraw/zinc/23/26/71/1049232671.db2.gz REJMVIZGOOMWCN-DIFFPNOSSA-N 0 0 321.342 4.393 20 10 DICDRN Cc1cc(CNCc2nccn2C(C)C)c(C)n1-c1ccccc1 ZINC000858294703 1049237114 /nfs/dbraw/zinc/23/71/14/1049237114.db2.gz MCVLLJMHLNRPHT-UHFFFAOYSA-N 0 0 322.456 4.161 20 10 DICDRN CC[N@H+](Cc1ccccc1Cl)Cc1cc(F)c(F)cc1[O-] ZINC001179909432 1049238091 /nfs/dbraw/zinc/23/80/91/1049238091.db2.gz LUPPHTQTHZGEDW-UHFFFAOYSA-N 0 0 311.759 4.346 20 10 DICDRN COCc1ccc(NCc2c(O)cc(C)cc2Cl)cc1OC ZINC000858309444 1049239875 /nfs/dbraw/zinc/23/98/75/1049239875.db2.gz RBWXHZIFHWVKCO-UHFFFAOYSA-N 0 0 321.804 4.121 20 10 DICDRN Fc1cccc2nc(NCc3ccc(N4CCCC4)cc3)oc21 ZINC000858347332 1049245163 /nfs/dbraw/zinc/24/51/63/1049245163.db2.gz WBPGPCKKWLXQFL-UHFFFAOYSA-N 0 0 311.360 4.179 20 10 DICDRN Cc1cccc2c1CC[N@H+](Cc1c([O-])ccc(Cl)c1F)C2 ZINC001204755337 1049254538 /nfs/dbraw/zinc/25/45/38/1049254538.db2.gz ALSJPNJFVMOVJM-UHFFFAOYSA-N 0 0 305.780 4.051 20 10 DICDRN Cn1ccc2c1nccc2-c1ccc(OCc2ccccc2)nc1 ZINC001204765346 1049256396 /nfs/dbraw/zinc/25/63/96/1049256396.db2.gz VZQRFHOWSWNXBZ-UHFFFAOYSA-N 0 0 315.376 4.214 20 10 DICDRN Cc1ccc(C(C)(C)C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])nc1 ZINC000858488537 1049264422 /nfs/dbraw/zinc/26/44/22/1049264422.db2.gz VTNXPBIQDLEDDQ-LBPRGKRZSA-N 0 0 320.383 4.002 20 10 DICDRN Cc1cc(C[NH2+][C@@H](C)c2cncs2)c(C)n1-c1ccccc1 ZINC000858542528 1049271495 /nfs/dbraw/zinc/27/14/95/1049271495.db2.gz LQDPVXDEBXOGAQ-AWEZNQCLSA-N 0 0 311.454 4.401 20 10 DICDRN Cc1cc(C[NH2+][C@@H](C)c2c[nH]nc2C)c(C)n1-c1cccc(C)c1 ZINC000858543458 1049271839 /nfs/dbraw/zinc/27/18/39/1049271839.db2.gz SQRGAVBHCJTPCI-HNNXBMFYSA-N 0 0 322.456 4.285 20 10 DICDRN COCCOCc1ccc(N[C@H](C)c2ccc(C)cc2O)cc1 ZINC000858550700 1049272170 /nfs/dbraw/zinc/27/21/70/1049272170.db2.gz RSWSTDNBDOCHRA-OAHLLOKOSA-N 0 0 315.413 4.037 20 10 DICDRN COCc1ccc(N[C@H](C)c2ccc(C)c(C)c2O)cc1OC ZINC000858567825 1049276404 /nfs/dbraw/zinc/27/64/04/1049276404.db2.gz KJDUFVLQAFWSIE-CQSZACIVSA-N 0 0 315.413 4.337 20 10 DICDRN COCc1ccc(N[C@@H](C)c2ccc(Cl)cc2O)cc1OC ZINC000858570465 1049279065 /nfs/dbraw/zinc/27/90/65/1049279065.db2.gz JTJLWMJQJNABNQ-NSHDSACASA-N 0 0 321.804 4.374 20 10 DICDRN Cc1cc(C)c(NC(=O)/C=C/c2ccc(N(C)C)cc2)cc1C ZINC001180128113 1049294167 /nfs/dbraw/zinc/29/41/67/1049294167.db2.gz BZSKVZOHXWMIMJ-DHZHZOJOSA-N 0 0 308.425 4.330 20 10 DICDRN COc1ccc2c(c1)CCN2Cc1ccccc1N1CCCCC1 ZINC001204931536 1049314439 /nfs/dbraw/zinc/31/44/39/1049314439.db2.gz ZHBCWHPYYLJZKN-UHFFFAOYSA-N 0 0 322.452 4.248 20 10 DICDRN COc1ccc(N(CCC(C)C)Cc2c(F)cncc2F)cc1 ZINC001194074252 1049316387 /nfs/dbraw/zinc/31/63/87/1049316387.db2.gz RQNOBCCADGJMSK-UHFFFAOYSA-N 0 0 320.383 4.421 20 10 DICDRN Cc1cc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)ccc1F ZINC000775601430 1049338196 /nfs/dbraw/zinc/33/81/96/1049338196.db2.gz UDSUUTRMWQTQAV-ZDUSSCGKSA-N 0 0 315.392 4.083 20 10 DICDRN [O-]c1cc(F)c(F)cc1C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC001180462644 1049367528 /nfs/dbraw/zinc/36/75/28/1049367528.db2.gz SNXZOFJDWMCKPW-UHFFFAOYSA-N 0 0 319.326 4.099 20 10 DICDRN CCc1ccc(C[N@H+](C)Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC001180497890 1049376120 /nfs/dbraw/zinc/37/61/20/1049376120.db2.gz YAVKVMMOYOPVDO-UHFFFAOYSA-N 0 0 307.796 4.379 20 10 DICDRN CN(C)c1ccc2c(c1)OCCN2Cc1ccc2c(c1)CCCC2 ZINC001180646547 1049394898 /nfs/dbraw/zinc/39/48/98/1049394898.db2.gz NHLFMKLIGLLJLE-UHFFFAOYSA-N 0 0 322.452 4.030 20 10 DICDRN CN(Cc1ccc(O)cc1O)Cc1c(Cl)cccc1Cl ZINC001204279118 1049401855 /nfs/dbraw/zinc/40/18/55/1049401855.db2.gz RFLKLQOZJMSNCT-UHFFFAOYSA-N 0 0 312.196 4.037 20 10 DICDRN COc1cc(F)cc(CN(C)c2ccc(OC)c(Cl)c2)c1 ZINC001180758339 1049401946 /nfs/dbraw/zinc/40/19/46/1049401946.db2.gz HSLDHKBJMROPFJ-UHFFFAOYSA-N 0 0 309.768 4.133 20 10 DICDRN CN(C)c1cc(F)c(CN(C)Cc2cccc(Cl)c2)cc1F ZINC001205215341 1049411146 /nfs/dbraw/zinc/41/11/46/1049411146.db2.gz GCKPCVWYXHYJDT-UHFFFAOYSA-N 0 0 324.802 4.316 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]2C2CCCC2)cc1 ZINC001180874008 1049413872 /nfs/dbraw/zinc/41/38/72/1049413872.db2.gz DDNJTOIATKDOQW-FQEVSTJZSA-N 0 0 322.452 4.499 20 10 DICDRN CCC(CC)COC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001194695281 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ZINC001205425738 1049467038 /nfs/dbraw/zinc/46/70/38/1049467038.db2.gz DTUIFHGIQNCCFH-UHFFFAOYSA-N 0 0 322.383 4.436 20 10 DICDRN CN(C[C@H]1CCSC1)c1ccc(OCc2ccccc2)cc1 ZINC001205425588 1049467732 /nfs/dbraw/zinc/46/77/32/1049467732.db2.gz AKXQFVSWOHLCOP-QGZVFWFLSA-N 0 0 313.466 4.455 20 10 DICDRN CC(C)[C@H]1CN(Cc2cc(F)cc(F)c2O)c2ccccc21 ZINC001181373984 1049468636 /nfs/dbraw/zinc/46/86/36/1049468636.db2.gz VXVNIGFFEWATAY-OAHLLOKOSA-N 0 0 303.352 4.430 20 10 DICDRN Cc1cc(Cl)c(NC(=O)N2Cc3cccc(O)c3C2)cc1C ZINC001205461626 1049477685 /nfs/dbraw/zinc/47/76/85/1049477685.db2.gz AZLSJMCXNYBRNQ-UHFFFAOYSA-N 0 0 316.788 4.210 20 10 DICDRN COc1cc(NCc2cc(C)ccc2O)ccc1Br ZINC000118906457 1049490406 /nfs/dbraw/zinc/49/04/06/1049490406.db2.gz UGIBZGDZRNAMFB-UHFFFAOYSA-N 0 0 322.202 4.084 20 10 DICDRN Cc1ccccc1/N=N/c1ccc(NC(=O)[C@@H]2CCO2)c(C)c1 ZINC001181587542 1049491271 /nfs/dbraw/zinc/49/12/71/1049491271.db2.gz KXGPKNGOLYYDRH-UAFUQJIBSA-N 0 0 309.369 4.446 20 10 DICDRN 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MZMPXCACJPDZEC-UHFFFAOYSA-N 0 0 316.273 4.060 20 10 DICDRN CSCCCC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774204226 1049624286 /nfs/dbraw/zinc/62/42/86/1049624286.db2.gz XXRBZWMUDSOBHB-VIFPVBQESA-N 0 0 308.274 4.493 20 10 DICDRN C[C@H](c1cccc(O)c1)[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775688935 1049624746 /nfs/dbraw/zinc/62/47/46/1049624746.db2.gz VELVZVHPHYDTAD-SNVBAGLBSA-N 0 0 309.768 4.083 20 10 DICDRN Oc1cccc2c1[C@@H](Nc1ccc([C@H](O)C(F)(F)F)cc1)CC2 ZINC000864020832 1049626273 /nfs/dbraw/zinc/62/62/73/1049626273.db2.gz AVIQWJHOCMUWRA-BBRMVZONSA-N 0 0 323.314 4.087 20 10 DICDRN Cc1cc(C)c([C@H](C)Nc2cc(F)cc(N(C)C)c2)c(O)c1 ZINC000864025783 1049628750 /nfs/dbraw/zinc/62/87/50/1049628750.db2.gz UZIDPKHPIKBZHS-ZDUSSCGKSA-N 0 0 302.393 4.387 20 10 DICDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000775697791 1049629351 /nfs/dbraw/zinc/62/93/51/1049629351.db2.gz HRLLTQPOLDLSPC-MRXNPFEDSA-N 0 0 319.857 4.336 20 10 DICDRN C[C@H](Nc1cc(F)cc(N(C)C)c1)c1ccc(N(C)C)cc1 ZINC000864026630 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1049636126 /nfs/dbraw/zinc/63/61/26/1049636126.db2.gz UPUQDLXFNMPUSI-UHFFFAOYSA-N 0 0 317.454 4.309 20 10 DICDRN Cc1cc(Cl)ccc1NC(=O)N[C@@H](C)c1ccccc1O ZINC001196318744 1049640666 /nfs/dbraw/zinc/64/06/66/1049640666.db2.gz JMAHKZITPJMFGM-NSHDSACASA-N 0 0 304.777 4.237 20 10 DICDRN C[C@@H]([NH2+]Cc1ncccc1F)c1cc(Cl)c(Cl)cc1[O-] ZINC000774269236 1049641340 /nfs/dbraw/zinc/64/13/40/1049641340.db2.gz KBJXXHQLVYMFJQ-MRVPVSSYSA-N 0 0 315.175 4.084 20 10 DICDRN CC[C@H](CSC)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774272074 1049641359 /nfs/dbraw/zinc/64/13/59/1049641359.db2.gz MXYIXOFSZORTBX-DTWKUNHWSA-N 0 0 308.274 4.491 20 10 DICDRN CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774275757 1049642239 /nfs/dbraw/zinc/64/22/39/1049642239.db2.gz XRMYKGXZKXXXBY-FEUHOPSXSA-N 0 0 318.244 4.165 20 10 DICDRN CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774275756 1049642267 /nfs/dbraw/zinc/64/22/67/1049642267.db2.gz XRMYKGXZKXXXBY-AMJWSMQMSA-N 0 0 318.244 4.165 20 10 DICDRN C[C@H]([NH2+]Cc1cccc(F)n1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774273477 1049642609 /nfs/dbraw/zinc/64/26/09/1049642609.db2.gz ZIUMCEHXJJRUCV-QMMMGPOBSA-N 0 0 315.175 4.084 20 10 DICDRN COc1ccc2c(c1)CCCCN2Cc1ccc(N(C)C)cc1C ZINC001206092173 1049651827 /nfs/dbraw/zinc/65/18/27/1049651827.db2.gz YYYOKDWOLRYYGH-UHFFFAOYSA-N 0 0 324.468 4.413 20 10 DICDRN C[C@H]([NH2+]C[C@@H]1CCC=CO1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774369783 1049652386 /nfs/dbraw/zinc/65/23/86/1049652386.db2.gz VPWPOBRIWBBUHN-UWVGGRQHSA-N 0 0 302.201 4.042 20 10 DICDRN CCOC(C)(C)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774368607 1049652431 /nfs/dbraw/zinc/65/24/31/1049652431.db2.gz RKTBNCXQTSQWMJ-SECBINFHSA-N 0 0 306.233 4.165 20 10 DICDRN CCC[N@H+](Cc1cccc(Cl)c1[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000775715969 1049655789 /nfs/dbraw/zinc/65/57/89/1049655789.db2.gz NGRJJBHGIZJJHL-IAOVAPTHSA-N 0 0 323.864 4.071 20 10 DICDRN C[C@@H]([NH2+]CCOCC1CCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774354645 1049657325 /nfs/dbraw/zinc/65/73/25/1049657325.db2.gz AYBKMQITQCIVCU-SNVBAGLBSA-N 0 0 318.244 4.166 20 10 DICDRN CC[C@@H](C(=O)OC(C)(C)C)N(C)Cc1cc(C(C)C)ccc1O ZINC001182666327 1049694692 /nfs/dbraw/zinc/69/46/92/1049694692.db2.gz MOMATWIUXYQEKE-INIZCTEOSA-N 0 0 321.461 4.068 20 10 DICDRN CC[C@H](C(=O)OC(C)(C)C)N(C)Cc1cc(C(C)C)ccc1O ZINC001182666328 1049695684 /nfs/dbraw/zinc/69/56/84/1049695684.db2.gz MOMATWIUXYQEKE-MRXNPFEDSA-N 0 0 321.461 4.068 20 10 DICDRN CC[C@H]([NH2+]Cc1cccnc1OC(C)C)c1ccc(C)cc1O ZINC000794798503 1049696730 /nfs/dbraw/zinc/69/67/30/1049696730.db2.gz VCXIQOHFMAHBLD-KRWDZBQOSA-N 0 0 314.429 4.124 20 10 DICDRN COc1ccc(O)c(CNc2ccc(Cl)c(SC)c2)c1 ZINC001206292276 1049702670 /nfs/dbraw/zinc/70/26/70/1049702670.db2.gz JMKIZAYEXVCDPJ-UHFFFAOYSA-N 0 0 309.818 4.388 20 10 DICDRN Cc1ccc(N(c2ccc(N)cc2)c2ccc(N)cc2)c(O)c1 ZINC001206294992 1049703534 /nfs/dbraw/zinc/70/35/34/1049703534.db2.gz QVPSTABFTUMALJ-UHFFFAOYSA-N 0 0 305.381 4.335 20 10 DICDRN CC(C)(C)[C@@H]1CN(C(=O)C2=CC(=O)CS2)c2ccccc21 ZINC000774542829 1049704012 /nfs/dbraw/zinc/70/40/12/1049704012.db2.gz UMCWFJYWHXVWTE-CYBMUJFWSA-N 0 0 301.411 4.244 20 10 DICDRN CCOc1ccc(N(Cc2c(C)noc2C)CC2CC2)cc1 ZINC001196953161 1049709357 /nfs/dbraw/zinc/70/93/57/1049709357.db2.gz RXLBYAQSQSERQT-UHFFFAOYSA-N 0 0 300.402 4.107 20 10 DICDRN COc1c(F)cc(F)cc1NCc1cc(Cl)cc(F)c1O ZINC000775757236 1049717100 /nfs/dbraw/zinc/71/71/00/1049717100.db2.gz YPJDACKCHXTLQX-UHFFFAOYSA-N 0 0 317.694 4.084 20 10 DICDRN CC[C@](C)(CN1C[C@H](C(C)C)Cc2cc(OC)ccc21)OC ZINC001206358187 1049720093 /nfs/dbraw/zinc/72/00/93/1049720093.db2.gz NPTMUWZITUOHHM-VQIMIIECSA-N 0 0 305.462 4.145 20 10 DICDRN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H](C)C[C@H]2C)c1 ZINC001206371737 1049722931 /nfs/dbraw/zinc/72/29/31/1049722931.db2.gz RYKQTEUTPUAJIX-ZYHUDNBSSA-N 0 0 312.251 4.084 20 10 DICDRN CCOc1cccc(CNc2cc(SC)ccc2C)c1O ZINC000775763766 1049731414 /nfs/dbraw/zinc/73/14/14/1049731414.db2.gz WQTKROYMSZKJMO-UHFFFAOYSA-N 0 0 303.427 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CC(=O)Nc1ccc(N[C@H](C)c2ccccc2O)cc1Cl ZINC000036983226 1051105384 /nfs/dbraw/zinc/10/53/84/1051105384.db2.gz OWGUSISQQHIUSO-SNVBAGLBSA-N 0 0 304.777 4.177 20 10 DICDRN CC(=O)Nc1ccc(N[C@@H](C)c2ccccc2O)cc1Cl ZINC000036983225 1051105667 /nfs/dbraw/zinc/10/56/67/1051105667.db2.gz OWGUSISQQHIUSO-JTQLQIEISA-N 0 0 304.777 4.177 20 10 DICDRN CC(C)c1ccc(Cl)c(N(CCO)c2ccc(N)cc2)c1 ZINC001215180886 1051106838 /nfs/dbraw/zinc/10/68/38/1051106838.db2.gz IVZPMTHWCVPXMS-UHFFFAOYSA-N 0 0 304.821 4.176 20 10 DICDRN CCOc1ccc(NCc2cc(Cl)ccc2O)cc1OC ZINC000037057735 1051108807 /nfs/dbraw/zinc/10/88/07/1051108807.db2.gz HPACUSRZUOFEPF-UHFFFAOYSA-N 0 0 307.777 4.065 20 10 DICDRN CC(C)(C)c1ccc(-c2noc(-c3ccc(O)c(O)c3)n2)cc1 ZINC001215304459 1051160372 /nfs/dbraw/zinc/16/03/72/1051160372.db2.gz OGXFQJIWMIFOGE-UHFFFAOYSA-N 0 0 310.353 4.112 20 10 DICDRN Oc1ccc(-c2nc(-c3cc(Cl)ccc3Cl)no2)cc1O ZINC001215304603 1051160727 /nfs/dbraw/zinc/16/07/27/1051160727.db2.gz UZCMHWZQHIKROS-UHFFFAOYSA-N 0 0 323.135 4.122 20 10 DICDRN CCC(C)(C)CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000744465226 1051180052 /nfs/dbraw/zinc/18/00/52/1051180052.db2.gz DTXUNSVVVMYSDW-UHFFFAOYSA-N 0 0 304.478 4.316 20 10 DICDRN C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1O ZINC001171717146 1051200819 /nfs/dbraw/zinc/20/08/19/1051200819.db2.gz KHAWJRSJLSXJJL-SECBINFHSA-N 0 0 310.180 4.190 20 10 DICDRN COc1ccc(N(C)CCCOc2cccc(Cl)c2)cc1 ZINC001171746438 1051204111 /nfs/dbraw/zinc/20/41/11/1051204111.db2.gz ZDKWXUYOUXSJDL-UHFFFAOYSA-N 0 0 305.805 4.254 20 10 DICDRN CCC[C@@H](CC)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000744886812 1051210955 /nfs/dbraw/zinc/21/09/55/1051210955.db2.gz HITKVHYXNKQOGG-MRXNPFEDSA-N 0 0 317.477 4.005 20 10 DICDRN COc1ccc(N(C)Cc2ncc(C(C)(C)C)o2)cc1Cl ZINC000757857497 1051223757 /nfs/dbraw/zinc/22/37/57/1051223757.db2.gz UVLIHPOKTTULAA-UHFFFAOYSA-N 0 0 308.809 4.271 20 10 DICDRN CC[C@@H]1CCCC[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000793039615 1051238830 /nfs/dbraw/zinc/23/88/30/1051238830.db2.gz DIZCDFKNKZKYFI-IEBWSBKVSA-N 0 0 314.473 4.119 20 10 DICDRN CC[C@H]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000793039611 1051239314 /nfs/dbraw/zinc/23/93/14/1051239314.db2.gz DIZCDFKNKZKYFI-HKUYNNGSSA-N 0 0 314.473 4.119 20 10 DICDRN CC[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000793039619 1051241046 /nfs/dbraw/zinc/24/10/46/1051241046.db2.gz DIZCDFKNKZKYFI-MJGOQNOKSA-N 0 0 314.473 4.119 20 10 DICDRN Cn1c(-c2ccccc2)cnc1SCc1ccnc(Cl)c1 ZINC000745325319 1051244749 /nfs/dbraw/zinc/24/47/49/1051244749.db2.gz DWPLTVIDGXYHLZ-UHFFFAOYSA-N 0 0 315.829 4.428 20 10 DICDRN CCC(CC)(CC)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000745578860 1051265446 /nfs/dbraw/zinc/26/54/46/1051265446.db2.gz XSDHOGHAIJRXCW-UHFFFAOYSA-N 0 0 317.477 4.055 20 10 DICDRN CCC[C@H](CC)NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000745785981 1051286688 /nfs/dbraw/zinc/28/66/88/1051286688.db2.gz PGMLTGVHDYDIOK-KRWDZBQOSA-N 0 0 319.493 4.251 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C1CCCCC1 ZINC000745839332 1051290714 /nfs/dbraw/zinc/29/07/14/1051290714.db2.gz 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/nfs/dbraw/zinc/37/26/32/1051372632.db2.gz JZOQSBOLNRVDON-OAHLLOKOSA-N 0 0 319.445 4.014 20 10 DICDRN CCC[C@@H](CC1CCCC1)C(=O)NCc1ccc(OC)cc1O ZINC000794387703 1051373476 /nfs/dbraw/zinc/37/34/76/1051373476.db2.gz JZOQSBOLNRVDON-HNNXBMFYSA-N 0 0 319.445 4.014 20 10 DICDRN CC(C)Cc1ccc(NC(=O)N[C@H](C)c2ccccc2O)cc1 ZINC001215810407 1051384537 /nfs/dbraw/zinc/38/45/37/1051384537.db2.gz AILCFPIKPZMXGH-CQSZACIVSA-N 0 0 312.413 4.473 20 10 DICDRN C[C@H](NC(=O)C1=CC(=O)CS1)c1ccc(-c2ccncc2)cc1 ZINC000746409678 1051403588 /nfs/dbraw/zinc/40/35/88/1051403588.db2.gz KPDCSLGOCHTXGR-LBPRGKRZSA-N 0 0 324.405 4.007 20 10 DICDRN CC[C@@H]1CN(C(=O)C2=CC(=O)CS2)CC[C@H]1c1ccccc1 ZINC000746410215 1051403661 /nfs/dbraw/zinc/40/36/61/1051403661.db2.gz VLUUUXQHHUHHGM-CZUORRHYSA-N 0 0 315.438 4.110 20 10 DICDRN Cc1cc(CCNC(=O)[C@H]2CC=CCC2)c(C)n1-c1ccccc1 ZINC000746427797 1051409904 /nfs/dbraw/zinc/40/99/04/1051409904.db2.gz YDKHZHDDVMXTAQ-SFHVURJKSA-N 0 0 322.452 4.109 20 10 DICDRN CSc1ccc(Nc2nc(-c3ccncc3)cs2)c(C)n1 ZINC001215905522 1051444860 /nfs/dbraw/zinc/44/48/60/1051444860.db2.gz MHNSBLQSKZFQLF-UHFFFAOYSA-N 0 0 314.439 4.374 20 10 DICDRN Cc1ccnc(N2CC=C(c3ccc(Cl)nc3)CC2)c1Cl ZINC000804591432 1051471556 /nfs/dbraw/zinc/47/15/56/1051471556.db2.gz OFCNBJWOFLOIBZ-UHFFFAOYSA-N 0 0 320.223 4.386 20 10 DICDRN Cc1ccc(-c2ccccc2)cc1N(CCO)c1ccc(N)cc1 ZINC001215987507 1051505881 /nfs/dbraw/zinc/50/58/81/1051505881.db2.gz CAMFMKVEIIIMNQ-UHFFFAOYSA-N 0 0 318.420 4.375 20 10 DICDRN CC(C)c1snnc1-c1nc(-c2ccccc2Cl)no1 ZINC001212686530 1051529892 /nfs/dbraw/zinc/52/98/92/1051529892.db2.gz WJWWKMRISGQWLI-UHFFFAOYSA-N 0 0 306.778 4.032 20 10 DICDRN CC(C)c1snnc1-c1nc(-c2ccc(Cl)c(F)c2)no1 ZINC001212687459 1051534265 /nfs/dbraw/zinc/53/42/65/1051534265.db2.gz UORSIAPAPPYPNH-UHFFFAOYSA-N 0 0 324.768 4.171 20 10 DICDRN Cc1cc(C)c(N)c(Nc2ccccc2C(=O)c2ccncc2)c1 ZINC001216101122 1051579269 /nfs/dbraw/zinc/57/92/69/1051579269.db2.gz BQSQBLDCKNTITM-UHFFFAOYSA-N 0 0 317.392 4.255 20 10 DICDRN COc1ccc(N(Cc2ccccc2)Cc2cccnc2)cc1 ZINC000097099109 1051600268 /nfs/dbraw/zinc/60/02/68/1051600268.db2.gz JLCBCGWJSVYGPI-UHFFFAOYSA-N 0 0 304.393 4.297 20 10 DICDRN C[C@H](Nc1ccc(N2CCCCC2)nc1)c1ccc(N(C)C)cc1 ZINC000324167725 1051607281 /nfs/dbraw/zinc/60/72/81/1051607281.db2.gz DQDSKSKQWUGYAK-INIZCTEOSA-N 0 0 324.472 4.311 20 10 DICDRN Cc1c(F)cncc1Nc1ccccc1Cc1ccc(N)cc1 ZINC001216195284 1051625103 /nfs/dbraw/zinc/62/51/03/1051625103.db2.gz MPQWAUIALWOUSI-UHFFFAOYSA-N 0 0 307.372 4.446 20 10 DICDRN COc1ccc(Nc2ccccc2C(=O)c2ccccc2)cc1N ZINC001216257603 1051660676 /nfs/dbraw/zinc/66/06/76/1051660676.db2.gz SHNQLPURMLXQOG-UHFFFAOYSA-N 0 0 318.376 4.252 20 10 DICDRN COc1ccc(N(c2ccccc2)c2ccc(N)cc2)cc1N ZINC001216260366 1051663032 /nfs/dbraw/zinc/66/30/32/1051663032.db2.gz YXSUQDHASDDFHV-UHFFFAOYSA-N 0 0 305.381 4.329 20 10 DICDRN CC[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)c3cccnc3c2[O-])C1 ZINC001173263089 1051663372 /nfs/dbraw/zinc/66/33/72/1051663372.db2.gz IMCYCGDHBIEXIS-DGCLKSJQSA-N 0 0 304.821 4.262 20 10 DICDRN COc1ccc(Nc2ccc(Cc3ccc(N)cc3)cc2)cc1N ZINC001216259870 1051663347 /nfs/dbraw/zinc/66/33/47/1051663347.db2.gz NQDPXFIBYNRSLC-UHFFFAOYSA-N 0 0 319.408 4.194 20 10 DICDRN Cc1c(O)cccc1Nc1ccccc1C(=O)c1ccncc1 ZINC001216323409 1051698966 /nfs/dbraw/zinc/69/89/66/1051698966.db2.gz SPEFWAWUUSRATJ-UHFFFAOYSA-N 0 0 304.349 4.070 20 10 DICDRN Cc1c(O)cccc1N(c1ccc(N)cc1)c1ccc(N)cc1 ZINC001216321970 1051699619 /nfs/dbraw/zinc/69/96/19/1051699619.db2.gz SEPDJMXRYDWNHE-UHFFFAOYSA-N 0 0 305.381 4.335 20 10 DICDRN CC[C@H]([NH2+]C[C@@H](O)CC(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806136007 1051734446 /nfs/dbraw/zinc/73/44/46/1051734446.db2.gz QPVIVRQAFAGNSF-FZMZJTMJSA-N 0 0 320.260 4.147 20 10 DICDRN CC[C@H]([NH2+]C[C@@H](OC)c1ccccc1)c1cccc(Cl)c1[O-] ZINC000806133619 1051735304 /nfs/dbraw/zinc/73/53/04/1051735304.db2.gz OWRYAQWTRYHRDP-DLBZAZTESA-N 0 0 319.832 4.474 20 10 DICDRN CC[C@@H]([NH2+][C@@H]1COc2ccccc2C1)c1cccc(Cl)c1[O-] ZINC000806136578 1051736950 /nfs/dbraw/zinc/73/69/50/1051736950.db2.gz ZOTCYMDZFQLLDY-XJKSGUPXSA-N 0 0 317.816 4.090 20 10 DICDRN CC[C@H]([NH2+]C[C@@H]1Cc2ccccc21)c1cccc(Cl)c1[O-] ZINC000806137228 1051737119 /nfs/dbraw/zinc/73/71/19/1051737119.db2.gz HWLVIRNMXSLTLX-GUYCJALGSA-N 0 0 301.817 4.426 20 10 DICDRN CC[C@@H]([NH2+]C[C@](C)(O)C(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806139963 1051740013 /nfs/dbraw/zinc/74/00/13/1051740013.db2.gz SYJBIOCWELNTSR-HIFRSBDPSA-N 0 0 320.260 4.147 20 10 DICDRN CC[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1cccc(Cl)c1[O-] ZINC000806130303 1051744503 /nfs/dbraw/zinc/74/45/03/1051744503.db2.gz VDODVMDWSKOIBX-CZUORRHYSA-N 0 0 317.816 4.090 20 10 DICDRN CC[C@H]([NH2+]CC1(O)CCCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806140527 1051747952 /nfs/dbraw/zinc/74/79/52/1051747952.db2.gz YAZQEDBKOHPIQZ-ZDUSSCGKSA-N 0 0 318.244 4.045 20 10 DICDRN CC[C@H]([NH2+]C[C@@H](C)c1ccncc1)c1cccc(Cl)c1[O-] ZINC000806142810 1051750289 /nfs/dbraw/zinc/75/02/89/1051750289.db2.gz RBPUFPBYEOSACZ-WBMJQRKESA-N 0 0 304.821 4.285 20 10 DICDRN CC[C@H]([NH2+]CC(C)(C)OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806144118 1051751845 /nfs/dbraw/zinc/75/18/45/1051751845.db2.gz OEZZHFKVXHGSRJ-LBPRGKRZSA-N 0 0 306.233 4.165 20 10 DICDRN CC[C@H](O)CCC[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806147041 1051752179 /nfs/dbraw/zinc/75/21/79/1051752179.db2.gz FOMGCAUIZURHGI-FZMZJTMJSA-N 0 0 320.260 4.291 20 10 DICDRN COc1cnc(F)c(N(c2ccccc2)c2ccc(N)cc2)c1 ZINC001216409611 1051752205 /nfs/dbraw/zinc/75/22/05/1051752205.db2.gz QZQOTPSJEJSSMS-UHFFFAOYSA-N 0 0 309.344 4.281 20 10 DICDRN CC[C@H]([NH2+]CCc1nc(C)c(C)s1)c1cccc(Cl)c1[O-] ZINC000806144559 1051753108 /nfs/dbraw/zinc/75/31/08/1051753108.db2.gz RQYSNKOVESRBGU-AWEZNQCLSA-N 0 0 324.877 4.402 20 10 DICDRN CC[C@H]([NH2+][C@H]1CCO[C@@H](C(C)C)C1)c1cccc(Cl)c1[O-] ZINC000806144315 1051753337 /nfs/dbraw/zinc/75/33/37/1051753337.db2.gz UWVVAZORNYCNDX-VBNZEHGJSA-N 0 0 311.853 4.290 20 10 DICDRN CC[C@@H]([NH2+]C[C@H](O)c1cccc(C)c1)c1cccc(Cl)c1[O-] ZINC000806149157 1051754440 /nfs/dbraw/zinc/75/44/40/1051754440.db2.gz PTPWKYGHDREWSU-SJORKVTESA-N 0 0 319.832 4.128 20 10 DICDRN CC[C@@H]([NH2+][C@@H](COC)C1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806150011 1051755402 /nfs/dbraw/zinc/75/54/02/1051755402.db2.gz ZZUIKGBPHDIJCN-KGLIPLIRSA-N 0 0 318.244 4.165 20 10 DICDRN CC[C@@H](Nc1cnn(CC2CC2)c1)c1cccc(Cl)c1O ZINC000806155416 1051758468 /nfs/dbraw/zinc/75/84/68/1051758468.db2.gz QSAZCBGNAQZGTK-OAHLLOKOSA-N 0 0 305.809 4.215 20 10 DICDRN CC[C@@H]([NH2+]CCOC1CCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806155231 1051759801 /nfs/dbraw/zinc/75/98/01/1051759801.db2.gz NMVGEJQXDBOUIB-CQSZACIVSA-N 0 0 318.244 4.309 20 10 DICDRN C/C=C/C[C@H](CO)[NH2+][C@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806157695 1051761587 /nfs/dbraw/zinc/76/15/87/1051761587.db2.gz AVDKQNJKYBJFSX-UOLJMSNASA-N 0 0 318.244 4.067 20 10 DICDRN CC[C@@H]([NH2+]C1Cc2ccccc2C1)c1cccc(Cl)c1[O-] ZINC000806159763 1051762723 /nfs/dbraw/zinc/76/27/23/1051762723.db2.gz LXVJGGMGNJUGSM-QGZVFWFLSA-N 0 0 301.817 4.254 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1cc(Br)c(F)cc1[O-] ZINC000806168854 1051768903 /nfs/dbraw/zinc/76/89/03/1051768903.db2.gz DCFDVPWGDSWQJM-AMIZOPFISA-N 0 0 316.214 4.133 20 10 DICDRN C[C@@H]([NH2+]C[C@H]1CCCSC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000806178443 1051773112 /nfs/dbraw/zinc/77/31/12/1051773112.db2.gz GGHVEGSTOQNLOQ-NXEZZACHSA-N 0 0 320.285 4.493 20 10 DICDRN Cc1ccc(NCc2ccc(Br)cc2O)c(C)c1 ZINC000691442418 1051792241 /nfs/dbraw/zinc/79/22/41/1051792241.db2.gz DEKAQCHMOUWLLE-UHFFFAOYSA-N 0 0 306.203 4.384 20 10 DICDRN Cc1cc(CO)cc(Nc2ccccc2Cc2ccc(N)cc2)c1 ZINC001212757636 1051815893 /nfs/dbraw/zinc/81/58/93/1051815893.db2.gz CFIFYXUPJIGYEZ-UHFFFAOYSA-N 0 0 318.420 4.404 20 10 DICDRN CCN1C(=O)/C(=C\c2cnc(C3CCCC3)s2)SC1=S ZINC000767703392 1051834128 /nfs/dbraw/zinc/83/41/28/1051834128.db2.gz DDTWKRHDHWKXBW-YRNVUSSQSA-N 0 0 324.496 4.022 20 10 DICDRN C[C@@H]1C[C@@H](N[C@H](C2CC2)C(F)(F)F)c2c1c(F)ccc2O ZINC000806662115 1051843425 /nfs/dbraw/zinc/84/34/25/1051843425.db2.gz KBLUHRCMPYMYIS-KZJPANMKSA-N 0 0 303.299 4.010 20 10 DICDRN C[C@H](N[C@H](C1CC1)C(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000806663525 1051844242 /nfs/dbraw/zinc/84/42/42/1051844242.db2.gz XLCWBOLJTVHGTK-MGPLVRAMSA-N 0 0 313.363 4.263 20 10 DICDRN COc1cccc(Nc2ccccc2C(=O)c2ccncc2)c1 ZINC001173826795 1051845797 /nfs/dbraw/zinc/84/57/97/1051845797.db2.gz HAXRZRFRPDJECS-UHFFFAOYSA-N 0 0 304.349 4.065 20 10 DICDRN COc1cccc(N(c2ccc(N)cc2)c2ccc(N)cc2)c1 ZINC001173826729 1051846174 /nfs/dbraw/zinc/84/61/74/1051846174.db2.gz CJZRABWJGQYFEC-UHFFFAOYSA-N 0 0 305.381 4.329 20 10 DICDRN CC[N@H+](Cc1ccccc1)Cc1cccc(Br)c1[O-] ZINC000768141163 1051888796 /nfs/dbraw/zinc/88/87/96/1051888796.db2.gz PSHCXKDFBFFDOQ-UHFFFAOYSA-N 0 0 320.230 4.177 20 10 DICDRN Cc1ccc(C[N@@H+](C)Cc2cccc(Br)c2[O-])cc1 ZINC000768174647 1051894392 /nfs/dbraw/zinc/89/43/92/1051894392.db2.gz ZWRPRTCSTCSTHX-UHFFFAOYSA-N 0 0 320.230 4.095 20 10 DICDRN CC(C)[N@H+](Cc1ccco1)Cc1cccc(Br)c1[O-] ZINC000768251103 1051909913 /nfs/dbraw/zinc/90/99/13/1051909913.db2.gz ZIUWWUPRLLYCTC-UHFFFAOYSA-N 0 0 324.218 4.158 20 10 DICDRN C[C@H](c1ccco1)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000768262292 1051911909 /nfs/dbraw/zinc/91/19/09/1051911909.db2.gz IOSBOGWMHRGWTO-SECBINFHSA-N 0 0 300.185 4.485 20 10 DICDRN C[C@H]1CC[C@@H]1NC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000807557363 1051912002 /nfs/dbraw/zinc/91/20/02/1051912002.db2.gz YNIMJWKHLGOPDE-YOEHRIQHSA-N 0 0 316.445 4.035 20 10 DICDRN O=C(NCCc1ccc(-c2ccccc2)cc1)C1=CC(=O)CS1 ZINC000768286986 1051914981 /nfs/dbraw/zinc/91/49/81/1051914981.db2.gz RYUSAOQWBTVOEQ-UHFFFAOYSA-N 0 0 323.417 4.093 20 10 DICDRN C[C@@]1(c2ccccc2)CCCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000807679080 1051919431 /nfs/dbraw/zinc/91/94/31/1051919431.db2.gz NCUUXTBCICPQSX-GOSISDBHSA-N 0 0 315.438 4.038 20 10 DICDRN CCOc1ccc(NCc2cccc(C)c2O)c2ncccc12 ZINC000768529209 1051938882 /nfs/dbraw/zinc/93/88/82/1051938882.db2.gz PBOJYBYLTSVTEC-UHFFFAOYSA-N 0 0 308.381 4.260 20 10 DICDRN COc1ncccc1Nc1ccc(Cc2ccc(N)cc2)cc1 ZINC001174042632 1051962034 /nfs/dbraw/zinc/96/20/34/1051962034.db2.gz VKICENDZKKFXAO-UHFFFAOYSA-N 0 0 305.381 4.007 20 10 DICDRN Oc1ccc(CNc2ccc3cc(C(F)F)cnc3c2)cc1O ZINC001169996807 1051969469 /nfs/dbraw/zinc/96/94/69/1051969469.db2.gz GGLUIDWXZJZJCV-UHFFFAOYSA-N 0 0 316.307 4.196 20 10 DICDRN COCc1cccc(N(c2ccc(N)cc2)c2ccc(N)cc2)c1 ZINC001174095571 1051969617 /nfs/dbraw/zinc/96/96/17/1051969617.db2.gz GIOUUSYHCXTTMT-UHFFFAOYSA-N 0 0 319.408 4.467 20 10 DICDRN COc1cc(Cl)c(Cl)cc1NCc1ccc(O)c(O)c1 ZINC001169997224 1051973475 /nfs/dbraw/zinc/97/34/75/1051973475.db2.gz WCISBRCGFZPRDS-UHFFFAOYSA-N 0 0 314.168 4.025 20 10 DICDRN Cc1cc(CC(=O)N[C@@H](C(C)C)C2CC2)c(C)n1-c1ccccc1 ZINC001131277652 1052010397 /nfs/dbraw/zinc/01/03/97/1052010397.db2.gz KBAROJXMFXCHPQ-NRFANRHFSA-N 0 0 324.468 4.187 20 10 DICDRN CC[N@H+](Cc1ccoc1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769298276 1052019710 /nfs/dbraw/zinc/01/97/10/1052019710.db2.gz GCKGKOMIZGMIFG-UHFFFAOYSA-N 0 0 300.185 4.314 20 10 DICDRN CCOc1cccc(CNc2cc(C)c(OC)cc2Cl)c1O ZINC000808448658 1052024904 /nfs/dbraw/zinc/02/49/04/1052024904.db2.gz GLDITXPFIRKFOD-UHFFFAOYSA-N 0 0 321.804 4.373 20 10 DICDRN Cc1cc(CC(=O)N[C@@H]2CCC(C)(C)C2)c(C)n1-c1ccccc1 ZINC001127298924 1052058451 /nfs/dbraw/zinc/05/84/51/1052058451.db2.gz LUAVSAVPLMKZCP-GOSISDBHSA-N 0 0 324.468 4.332 20 10 DICDRN CC(=O)c1cc(Cl)cc(C[NH+]2CCC3(CCC3)CC2)c1[O-] ZINC000308744577 1052059949 /nfs/dbraw/zinc/05/99/49/1052059949.db2.gz UISOHPSNYGDJMG-UHFFFAOYSA-N 0 0 307.821 4.014 20 10 DICDRN COc1ccc(N(c2c(C)nn(C)c2C)c2ccc(N)cc2)cc1 ZINC001174228733 1052062971 /nfs/dbraw/zinc/06/29/71/1052062971.db2.gz GPUDDKPWFJPBHW-UHFFFAOYSA-N 0 0 322.412 4.098 20 10 DICDRN Oc1cccc(Cl)c1CN1CCc2c3ccccc3[nH]c2C1 ZINC000769512696 1052071558 /nfs/dbraw/zinc/07/15/58/1052071558.db2.gz NYOQICJSFPFHKD-UHFFFAOYSA-N 0 0 312.800 4.085 20 10 DICDRN CCc1cnc(CN(C)Cc2ccc(N(CC)CC)cc2)s1 ZINC000769523427 1052075723 /nfs/dbraw/zinc/07/57/23/1052075723.db2.gz BEKBBQWMCUPTDB-UHFFFAOYSA-N 0 0 317.502 4.184 20 10 DICDRN CC[C@H]([NH2+]C[C@H]1COc2ccccc21)c1cccc(Cl)c1[O-] ZINC000808727602 1052085072 /nfs/dbraw/zinc/08/50/72/1052085072.db2.gz JPRKYAOHGQHBTK-LRDDRELGSA-N 0 0 317.816 4.263 20 10 DICDRN Oc1cccc(Cl)c1CNc1cc(C(F)(F)F)ccn1 ZINC000769654803 1052091878 /nfs/dbraw/zinc/09/18/78/1052091878.db2.gz XFSSHBLYEMMGAQ-UHFFFAOYSA-N 0 0 302.683 4.072 20 10 DICDRN Nc1ccc(N(c2ccc(N)cc2)c2cccc3n[nH]cc32)cc1 ZINC001174345213 1052109634 /nfs/dbraw/zinc/10/96/34/1052109634.db2.gz NYFQYEZDPBOCCD-UHFFFAOYSA-N 0 0 315.380 4.197 20 10 DICDRN Cc1ccc(C)c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000914506629 1052125026 /nfs/dbraw/zinc/12/50/26/1052125026.db2.gz PYNUAWUVLWUAAL-UHFFFAOYSA-N 0 0 324.468 4.420 20 10 DICDRN Cc1ccccc1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000914506150 1052125377 /nfs/dbraw/zinc/12/53/77/1052125377.db2.gz GWSLGSISDUAJTN-UHFFFAOYSA-N 0 0 310.441 4.112 20 10 DICDRN Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c(C)o1 ZINC000914506441 1052125387 /nfs/dbraw/zinc/12/53/87/1052125387.db2.gz NDGYPUGANKOMGO-UHFFFAOYSA-N 0 0 314.429 4.013 20 10 DICDRN C[C@H](Nc1cnn(C)c1C1CC1)c1cc2c(cc1O)CCCC2 ZINC000769989152 1052137069 /nfs/dbraw/zinc/13/70/69/1052137069.db2.gz MXIKWHUZGXLJLY-LBPRGKRZSA-N 0 0 311.429 4.055 20 10 DICDRN Nc1ccc(CO[C@@H]2CCc3cc(Br)ccc32)cc1 ZINC001217766563 1052137231 /nfs/dbraw/zinc/13/72/31/1052137231.db2.gz ANPLMZXKOYHMOJ-MRXNPFEDSA-N 0 0 318.214 4.235 20 10 DICDRN CC(C)C(=O)OCC(C)(C)[C@H](OCc1ccc(N)cc1)C(C)C ZINC001217875637 1052159717 /nfs/dbraw/zinc/15/97/17/1052159717.db2.gz COZGTCSUAUWPGF-QGZVFWFLSA-N 0 0 321.461 4.035 20 10 DICDRN C[C@@H](OCc1ccc(N)cc1)c1cccc(Br)c1F ZINC001217884517 1052162511 /nfs/dbraw/zinc/16/25/11/1052162511.db2.gz PMZVIFNVDJXLPE-SNVBAGLBSA-N 0 0 324.193 4.448 20 10 DICDRN Nc1ccc(CO[C@H]2CCc3cc(C(F)(F)F)ccc32)cc1 ZINC001217933793 1052173833 /nfs/dbraw/zinc/17/38/33/1052173833.db2.gz OAUBLFBUGCIFQT-INIZCTEOSA-N 0 0 307.315 4.492 20 10 DICDRN FC1(F)CNC[C@H](Oc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC001218274156 1052216088 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C[C@H](NCc1ccc(N(C)C)cc1)c1c(F)cccc1Cl ZINC000315122596 1052333146 /nfs/dbraw/zinc/33/31/46/1052333146.db2.gz KZSUYUNIOLEJPZ-LBPRGKRZSA-N 0 0 306.812 4.396 20 10 DICDRN CCCCC[C@@H](C)NC(=O)NCc1ccc(N(CC)CC)cc1 ZINC001220562106 1052343376 /nfs/dbraw/zinc/34/33/76/1052343376.db2.gz SYVWISACYMPLLK-MRXNPFEDSA-N 0 0 319.493 4.301 20 10 DICDRN CN(Cc1ccccc1O)C(=O)c1ccc(-c2ccccc2)s1 ZINC000193944452 1052344352 /nfs/dbraw/zinc/34/43/52/1052344352.db2.gz HILFBRLVXQPBOM-UHFFFAOYSA-N 0 0 323.417 4.393 20 10 DICDRN Cc1ccc([C@H](NC(=O)N[C@@H](C)c2ccccc2O)C2CC2)cc1 ZINC001220887427 1052366666 /nfs/dbraw/zinc/36/66/66/1052366666.db2.gz CYWAYFPAQKMOIQ-LIRRHRJNSA-N 0 0 324.424 4.212 20 10 DICDRN Oc1c(F)cc(Cl)cc1CNc1cnc2ccccc2c1 ZINC000762784506 1052422394 /nfs/dbraw/zinc/42/23/94/1052422394.db2.gz DLGZUMBIGZCZAP-UHFFFAOYSA-N 0 0 302.736 4.345 20 10 DICDRN CC(=O)CCCCOC(=O)c1sccc1-n1c(C)ccc1C ZINC000762865039 1052427828 /nfs/dbraw/zinc/42/78/28/1052427828.db2.gz HZIAPTGKLIAXPF-UHFFFAOYSA-N 0 0 319.426 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COc1ccc(CN(C)c2cccc(C(C)C)c2)c(O)c1OC ZINC001474420955 1062092983 /nfs/dbraw/zinc/09/29/83/1062092983.db2.gz CMWQUOVHHZLMTG-UHFFFAOYSA-N 0 0 315.413 4.169 20 10 DICDRN C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001474424865 1062098214 /nfs/dbraw/zinc/09/82/14/1062098214.db2.gz RZEBTZNPTXMAMS-MLGOLLRUSA-N 0 0 302.805 4.024 20 10 DICDRN C[C@H]1Cc2ccccc2N(Cc2c(O)ccc(Cl)c2F)C1 ZINC001474430182 1062104538 /nfs/dbraw/zinc/10/45/38/1062104538.db2.gz VJNQTQRDVAMOML-NSHDSACASA-N 0 0 305.780 4.384 20 10 DICDRN CCCCCC[C@@](C)(CC)C(=O)NCc1ccc(OC)cc1O ZINC001467471846 1062135948 /nfs/dbraw/zinc/13/59/48/1062135948.db2.gz VJAQIMZQZDHQAW-LJQANCHMSA-N 0 0 321.461 4.404 20 10 DICDRN [O-]c1c(F)cccc1C[NH2+]CCCCCc1ccc(F)cc1 ZINC001474461586 1062140294 /nfs/dbraw/zinc/14/02/94/1062140294.db2.gz SBUSZBNWCTYOFC-UHFFFAOYSA-N 0 0 305.368 4.173 20 10 DICDRN Cc1ccc(NCc2cc(F)c(F)cc2O)cc1OC(C)C ZINC001474482642 1062160648 /nfs/dbraw/zinc/16/06/48/1062160648.db2.gz BBVQQXFPEVBJED-UHFFFAOYSA-N 0 0 307.340 4.378 20 10 DICDRN CCc1c(NCc2ccc(C)cc2O)cnn1-c1ccccc1C ZINC001474488172 1062165897 /nfs/dbraw/zinc/16/58/97/1062165897.db2.gz BXGMCZHENXCSCO-UHFFFAOYSA-N 0 0 321.424 4.369 20 10 DICDRN Cc1cc(O)c(CN(C)Cc2c(F)cccc2F)cc1Cl ZINC001474537551 1062224524 /nfs/dbraw/zinc/22/45/24/1062224524.db2.gz JSVWQMJRGKZRBU-UHFFFAOYSA-N 0 0 311.759 4.264 20 10 DICDRN CCC[C@H](NC(=O)N[C@H](C)c1ccccc1O)c1ccccc1 ZINC001468075481 1062256944 /nfs/dbraw/zinc/25/69/44/1062256944.db2.gz UPHLZEUMVOUZMQ-PBHICJAKSA-N 0 0 312.413 4.294 20 10 DICDRN CCC[C@H](CN1C[C@H](C(C)C)Cc2cc(OC)ccc21)OC ZINC001474590146 1062300993 /nfs/dbraw/zinc/30/09/93/1062300993.db2.gz OEGJMOLELBHUCD-SJLPKXTDSA-N 0 0 305.462 4.145 20 10 DICDRN CCOc1ccc(N(CC)Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC001459739764 1062351569 /nfs/dbraw/zinc/35/15/69/1062351569.db2.gz KZXREDARLDZAGS-UHFFFAOYSA-N 0 0 318.348 4.159 20 10 DICDRN C/C(=C\c1cccnc1)C(=O)N1C[C@H](C(C)C)c2ccccc21 ZINC001459752794 1062362270 /nfs/dbraw/zinc/36/22/70/1062362270.db2.gz IYHBMKXNPULHAX-HAZIXKIPSA-N 0 0 306.409 4.271 20 10 DICDRN COc1ccc(O)c(CNc2cccc3c2OC(C)(C)C=C3)c1 ZINC001474650637 1062379124 /nfs/dbraw/zinc/37/91/24/1062379124.db2.gz SKUUUFPVLANULR-UHFFFAOYSA-N 0 0 311.381 4.197 20 10 DICDRN CN(CCOC1CCC1)c1ccc(OCc2ccccc2)cc1 ZINC001459956600 1062527583 /nfs/dbraw/zinc/52/75/83/1062527583.db2.gz GHHVPWMERJGUAK-UHFFFAOYSA-N 0 0 311.425 4.271 20 10 DICDRN CN(C)c1ccc(CN2CCOc3c2cccc3C(C)(C)C)cc1 ZINC001459961912 1062529863 /nfs/dbraw/zinc/52/98/63/1062529863.db2.gz COMCBAAFIXVGBL-UHFFFAOYSA-N 0 0 324.468 4.449 20 10 DICDRN CCCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCC2(CCC2)O1 ZINC001460022302 1062579057 /nfs/dbraw/zinc/57/90/57/1062579057.db2.gz FXCVUWPXZNKOEY-GOSISDBHSA-N 0 0 317.473 4.486 20 10 DICDRN COc1ccc(N(CCC(C)C)Cc2ccncc2F)cc1 ZINC001460050276 1062598925 /nfs/dbraw/zinc/59/89/25/1062598925.db2.gz AFGPHMOFZZUGQP-UHFFFAOYSA-N 0 0 302.393 4.282 20 10 DICDRN Cc1cc(C(=O)N2CCC[C@H]3C[C@H]32)c(C)n1-c1ccccc1C ZINC001469697262 1062607535 /nfs/dbraw/zinc/60/75/35/1062607535.db2.gz BLNYRISKUMIHKM-QFBILLFUSA-N 0 0 308.425 4.027 20 10 DICDRN CN(C)c1ccc(/C=C/c2nnc(Cc3ccccc3F)o2)cc1 ZINC001255805665 1062613394 /nfs/dbraw/zinc/61/33/94/1062613394.db2.gz YOJVUOZNOGODNY-FMIVXFBMSA-N 0 0 323.371 4.036 20 10 DICDRN CC(C)[C@@H]1CCC[C@H](NC(=O)N[C@H](C)c2ccccc2O)CC1 ZINC001469882164 1062648962 /nfs/dbraw/zinc/64/89/62/1062648962.db2.gz FXVYIPIPFPSHMJ-OAGGEKHMSA-N 0 0 318.461 4.357 20 10 DICDRN COc1ccc(N(CC2CC2)C[C@@H]2CCC3(CCC3)CO2)cc1 ZINC001460129192 1062651548 /nfs/dbraw/zinc/65/15/48/1062651548.db2.gz LSVYQZYHETUJDN-IBGZPJMESA-N 0 0 315.457 4.261 20 10 DICDRN COc1ccc(N(Cc2cccc(OC)c2C)CC2CC2)cc1 ZINC001460130457 1062651653 /nfs/dbraw/zinc/65/16/53/1062651653.db2.gz OBOQOENQSXDGCV-UHFFFAOYSA-N 0 0 311.425 4.429 20 10 DICDRN CCc1ccc(N(CC2CC2)C(=O)/C=C\c2cncc(F)c2)cc1 ZINC001460206602 1062698437 /nfs/dbraw/zinc/69/84/37/1062698437.db2.gz LVRMLIUWYLTFCB-YFHOEESVSA-N 0 0 324.399 4.240 20 10 DICDRN CN(Cc1cccc(Cl)n1)c1ccc(-c2nccs2)cc1 ZINC001460212915 1062701600 /nfs/dbraw/zinc/70/16/00/1062701600.db2.gz IXAZXEDSJLIGCK-UHFFFAOYSA-N 0 0 315.829 4.495 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](CC)[C@@H]1CC1(C)C ZINC001470572310 1062815436 /nfs/dbraw/zinc/81/54/36/1062815436.db2.gz WSZJKOAMAZEUOT-JKSUJKDBSA-N 0 0 318.461 4.139 20 10 DICDRN CC/C=C(\F)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001471012525 1062907782 /nfs/dbraw/zinc/90/77/82/1062907782.db2.gz GGPUQCWMEBDJHT-WSVATBPTSA-N 0 0 314.404 4.282 20 10 DICDRN Cc1ccc(-c2nnc(-c3ccc(O)c(O)c3Cl)o2)cc1C ZINC001256604478 1062914255 /nfs/dbraw/zinc/91/42/55/1062914255.db2.gz XUACXGVJCYHFSQ-UHFFFAOYSA-N 0 0 316.744 4.085 20 10 DICDRN CC/C(=C\C(=O)N[C@@H](C)c1ccccc1O)c1ccc(C)cc1 ZINC001471194872 1062938327 /nfs/dbraw/zinc/93/83/27/1062938327.db2.gz PVPNCRBSDIFQEF-XERWBJCMSA-N 0 0 309.409 4.371 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)CC(C1CC1)C1CC1 ZINC001256712652 1062949396 /nfs/dbraw/zinc/94/93/96/1062949396.db2.gz RELPWOANBQSVJP-UHFFFAOYSA-N 0 0 315.457 4.347 20 10 DICDRN C[C@@H]1CC[C@@](C)(/C=C\C(=O)N2Cc3cccc(O)c3C2)C1(C)C ZINC001471355729 1062970881 /nfs/dbraw/zinc/97/08/81/1062970881.db2.gz SNTDXQJEPXEOHY-GWQQMOPFSA-N 0 0 313.441 4.253 20 10 DICDRN CCCCCC[C@](C)(CC)C(=O)NCc1cc(O)ccc1O ZINC001471660821 1063012037 /nfs/dbraw/zinc/01/20/37/1063012037.db2.gz ARQWXUAXWBVQJR-SFHVURJKSA-N 0 0 307.434 4.101 20 10 DICDRN C=C/C=C\CCNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC001471635200 1063012469 /nfs/dbraw/zinc/01/24/69/1063012469.db2.gz TXQLVNCELSWHSY-SREVYHEPSA-N 0 0 308.425 4.265 20 10 DICDRN CC1(C)CCCC[C@@H]1C(=O)NCc1c(O)ccc2ccccc21 ZINC001472085634 1063046037 /nfs/dbraw/zinc/04/60/37/1063046037.db2.gz YOVZJRMKCJONAL-QGZVFWFLSA-N 0 0 311.425 4.378 20 10 DICDRN C(=C/c1cccnc1)\c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256951783 1063058380 /nfs/dbraw/zinc/05/83/80/1063058380.db2.gz RRVWFXNHZCAUOP-BJMVGYQFSA-N 0 0 314.348 4.093 20 10 DICDRN CCC[C@H](CC(C)=O)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256965438 1063062034 /nfs/dbraw/zinc/06/20/34/1063062034.db2.gz BHVHBCOZEDUKJT-MRXNPFEDSA-N 0 0 323.396 4.390 20 10 DICDRN C[C@@H](Cc1nnc(-c2ccc(-n3cccc3)cc2)o1)C(F)(F)F ZINC001256961919 1063062123 /nfs/dbraw/zinc/06/21/23/1063062123.db2.gz ZOGJDIYPRAQARV-NSHDSACASA-N 0 0 321.302 4.268 20 10 DICDRN CC(=O)CCCCCc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256966051 1063062398 /nfs/dbraw/zinc/06/23/98/1063062398.db2.gz RTKSLOWPHBJUMT-UHFFFAOYSA-N 0 0 323.396 4.219 20 10 DICDRN CC(C)(C)N1CC[C@H]1c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256970005 1063065558 /nfs/dbraw/zinc/06/55/58/1063065558.db2.gz ILDLMIVBNWMZAA-INIZCTEOSA-N 0 0 322.412 4.073 20 10 DICDRN CO[C@H]1CC[C@H](c2nnc(-c3ccc(-n4cccc4)cc3)o2)CC1 ZINC001256970548 1063066531 /nfs/dbraw/zinc/06/65/31/1063066531.db2.gz UUJOCSMVZXSQET-JCNLHEQBSA-N 0 0 323.396 4.200 20 10 DICDRN Cc1cc(F)ncc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256978605 1063067869 /nfs/dbraw/zinc/06/78/69/1063067869.db2.gz PCLKTPBMDSQJLB-UHFFFAOYSA-N 0 0 320.327 4.037 20 10 DICDRN Clc1ccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)o1 ZINC001256978552 1063068792 /nfs/dbraw/zinc/06/87/92/1063068792.db2.gz NURMHLHTALAHBZ-UHFFFAOYSA-N 0 0 311.728 4.441 20 10 DICDRN Cc1cc(C(=O)N[C@@H]2C[C@@H]3CCC[C@H]23)c(C)n1-c1ccccc1C ZINC001472307438 1063070464 /nfs/dbraw/zinc/07/04/64/1063070464.db2.gz IKNMUSRYYKVMRT-JENIJYKNSA-N 0 0 322.452 4.321 20 10 DICDRN Cc1cnc(Sc2ncc(C(C)(C)C)s2)c([N+](=O)[O-])c1 ZINC001472724805 1063185486 /nfs/dbraw/zinc/18/54/86/1063185486.db2.gz AILIEWBTWKQYBG-UHFFFAOYSA-N 0 0 309.416 4.203 20 10 DICDRN CC(C)[C@@H]1CCC[C@H](NC(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC001478485939 1063190656 /nfs/dbraw/zinc/19/06/56/1063190656.db2.gz FXVYIPIPFPSHMJ-XHSDSOJGSA-N 0 0 318.461 4.357 20 10 DICDRN C[C@H](Nc1nc(C2CCCC2)ns1)c1ccc(N(C)C)cc1 ZINC001472763379 1063214427 /nfs/dbraw/zinc/21/44/27/1063214427.db2.gz RUNUXICWGFPGAK-LBPRGKRZSA-N 0 0 316.474 4.435 20 10 DICDRN CCc1cc(NCc2ccc(N3CCCCC3)cc2)nc(CC)n1 ZINC001472820705 1063264432 /nfs/dbraw/zinc/26/44/32/1063264432.db2.gz MWOVSFAASMUTPY-UHFFFAOYSA-N 0 0 324.472 4.204 20 10 DICDRN C[C@H](NC(=O)N[C@@H](C)c1ccccc1O)c1ccc(Cl)cc1 ZINC001478778448 1063281242 /nfs/dbraw/zinc/28/12/42/1063281242.db2.gz FHKCYXCOFIBVMM-RYUDHWBXSA-N 0 0 318.804 4.167 20 10 DICDRN C[C@@H](C1CC1)n1nccc1NC/C=C/c1ccc(N(C)C)cc1 ZINC001461147557 1063293388 /nfs/dbraw/zinc/29/33/88/1063293388.db2.gz JOWJDHVEZBFETP-RGDDUWESSA-N 0 0 310.445 4.045 20 10 DICDRN Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001461154530 1063294901 /nfs/dbraw/zinc/29/49/01/1063294901.db2.gz HVTCLWBNIQIWRH-INIZCTEOSA-N 0 0 305.780 4.270 20 10 DICDRN Cc1ccccc1CC(C)(C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001461168837 1063306093 /nfs/dbraw/zinc/30/60/93/1063306093.db2.gz YWMNQBLKHKSITR-UHFFFAOYSA-N 0 0 305.368 4.090 20 10 DICDRN Cc1ccc(C[C@H](C)[NH2+]Cc2cc(Cl)cc(F)c2[O-])s1 ZINC001461223331 1063345845 /nfs/dbraw/zinc/34/58/45/1063345845.db2.gz IDLVNCLERFGEID-VIFPVBQESA-N 0 0 313.825 4.275 20 10 DICDRN O=C(CSc1ncc(Cl)s1)c1cccc(Cl)c1 ZINC001473066882 1063383411 /nfs/dbraw/zinc/38/34/11/1063383411.db2.gz TVVJVPHKTHKPFZ-UHFFFAOYSA-N 0 0 304.223 4.425 20 10 DICDRN COC(=O)c1cc(OC[C@H](C)C2CCCCC2)ccc1N(C)C ZINC001473077118 1063388454 /nfs/dbraw/zinc/38/84/54/1063388454.db2.gz HXEJYUGCIFUXOI-AWEZNQCLSA-N 0 0 319.445 4.134 20 10 DICDRN CCN(CC)c1ccc(CNc2ccccc2N(C)C)cc1F ZINC001461310254 1063408226 /nfs/dbraw/zinc/40/82/26/1063408226.db2.gz LSPJVLQYCKTCNI-UHFFFAOYSA-N 0 0 315.436 4.350 20 10 DICDRN CN(C)c1cc(F)c(CNc2cc(F)cc(Cl)c2)cc1F ZINC001461309141 1063409291 /nfs/dbraw/zinc/40/92/91/1063409291.db2.gz GQIDZDPMCAILET-UHFFFAOYSA-N 0 0 314.738 4.435 20 10 DICDRN CC(C)CN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 ZINC001473158098 1063463221 /nfs/dbraw/zinc/46/32/21/1063463221.db2.gz GCEBGAFMYUHULD-UHFFFAOYSA-N 0 0 318.461 4.120 20 10 DICDRN Cc1nn(C)c2cc(NC/C=C\c3ccc(N(C)C)cc3)ccc12 ZINC001461523320 1063558278 /nfs/dbraw/zinc/55/82/78/1063558278.db2.gz OSENROHLOHNCKS-WAYWQWQTSA-N 0 0 320.440 4.073 20 10 DICDRN CC[C@@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)CC(F)(F)F ZINC001461581243 1063590272 /nfs/dbraw/zinc/59/02/72/1063590272.db2.gz QQYWHOZKXOAVGQ-MRVPVSSYSA-N 0 0 313.722 4.253 20 10 DICDRN CCCN(C(=O)/C=C\c1ccc(Cl)nc1)c1ccccc1F ZINC001461587071 1063595549 /nfs/dbraw/zinc/59/55/49/1063595549.db2.gz XOLCCVWSCJXEIT-NTMALXAHSA-N 0 0 318.779 4.331 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC(C2CC2)C2CC2)cc1 ZINC001514782717 1063613028 /nfs/dbraw/zinc/61/30/28/1063613028.db2.gz LUHGCORRIZGXIM-UHFFFAOYSA-N 0 0 322.452 4.260 20 10 DICDRN Oc1cccc(Cl)c1CNc1cnc2c(F)cccc2c1 ZINC001461623239 1063621733 /nfs/dbraw/zinc/62/17/33/1063621733.db2.gz ZKEHUQFOGFDREE-UHFFFAOYSA-N 0 0 302.736 4.345 20 10 DICDRN Cc1cccc([C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C(C)C)c1 ZINC001461676516 1063652898 /nfs/dbraw/zinc/65/28/98/1063652898.db2.gz PRBFHSQGBWQISE-KRWDZBQOSA-N 0 0 305.368 4.466 20 10 DICDRN CCC1(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)CCC1 ZINC001515160865 1063653488 /nfs/dbraw/zinc/65/34/88/1063653488.db2.gz VEUULPBZDOSWAC-UHFFFAOYSA-N 0 0 310.441 4.404 20 10 DICDRN Cc1ccc(CCC[NH2+]Cc2cc(F)cc(F)c2[O-])c(C)c1 ZINC001461685171 1063657054 /nfs/dbraw/zinc/65/70/54/1063657054.db2.gz CFTPHGMPAQCQOE-UHFFFAOYSA-N 0 0 305.368 4.010 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cncc(C)c2)cc1 ZINC001515296097 1063664447 /nfs/dbraw/zinc/66/44/47/1063664447.db2.gz JHIHBXRAXUMNTO-UHFFFAOYSA-N 0 0 305.381 4.050 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)NC(C)(C2CC2)C2CC2)cc1 ZINC001461711201 1063674295 /nfs/dbraw/zinc/67/42/95/1063674295.db2.gz JENHRWSWNGGMAU-UHFFFAOYSA-N 0 0 322.452 4.403 20 10 DICDRN O=C(/C=C/c1ccc(Cl)nc1)N1CC2(CCC2)c2ccccc21 ZINC001515623721 1063692882 /nfs/dbraw/zinc/69/28/82/1063692882.db2.gz XMPXYQZQQFTGMA-VQHVLOKHSA-N 0 0 324.811 4.217 20 10 DICDRN O=C(/C=C\c1cccnc1)N1CC2(CCCC2)c2cccc(F)c21 ZINC001515649672 1063694629 /nfs/dbraw/zinc/69/46/29/1063694629.db2.gz JKEKLJAUJWISLI-HJWRWDBZSA-N 0 0 322.383 4.093 20 10 DICDRN CN(C)c1ccc(/C=C/CNc2cnn(C3CCCC3)c2)cc1 ZINC001461771974 1063708866 /nfs/dbraw/zinc/70/88/66/1063708866.db2.gz BCBXRMGWUQELKI-AATRIKPKSA-N 0 0 310.445 4.190 20 10 DICDRN Oc1cc(Cl)ccc1CN1Cc2ccccc2C(F)(F)C1 ZINC001461861126 1063753500 /nfs/dbraw/zinc/75/35/00/1063753500.db2.gz KBZZQMFWVRFWFU-UHFFFAOYSA-N 0 0 309.743 4.153 20 10 DICDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC001461873777 1063762650 /nfs/dbraw/zinc/76/26/50/1063762650.db2.gz QHRLUAQQKLBDDP-HNNXBMFYSA-N 0 0 307.340 4.381 20 10 DICDRN C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001461893107 1063780193 /nfs/dbraw/zinc/78/01/93/1063780193.db2.gz BENJFUYQVXGUHE-BLLLJJGKSA-N 0 0 303.352 4.048 20 10 DICDRN C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001461893112 1063781655 /nfs/dbraw/zinc/78/16/55/1063781655.db2.gz BENJFUYQVXGUHE-LRDDRELGSA-N 0 0 303.352 4.048 20 10 DICDRN CC(C)Oc1cccc(C[N@H+](C)Cc2ccc(F)c(F)c2[O-])c1 ZINC001461924889 1063809465 /nfs/dbraw/zinc/80/94/65/1063809465.db2.gz FCTQPASHOCSMRG-UHFFFAOYSA-N 0 0 321.367 4.090 20 10 DICDRN Cc1cc(O)c(CN(C)Cc2ccc(F)cc2F)c(Cl)c1 ZINC001462038000 1063894836 /nfs/dbraw/zinc/89/48/36/1063894836.db2.gz BGPKUKPTBZCCGZ-UHFFFAOYSA-N 0 0 311.759 4.264 20 10 DICDRN CC[N@H+](CCC1CC1)Cc1cc(C)cc(Br)c1[O-] ZINC001462056533 1063906030 /nfs/dbraw/zinc/90/60/30/1063906030.db2.gz UUVJZVDQPBIONP-UHFFFAOYSA-N 0 0 312.251 4.085 20 10 DICDRN CCOc1c(Cl)cccc1CN(C)c1ccc2c(c1)OCO2 ZINC001462072918 1063915415 /nfs/dbraw/zinc/91/54/15/1063915415.db2.gz GCHIGEZEKAXDSP-UHFFFAOYSA-N 0 0 319.788 4.104 20 10 DICDRN CC[C@H]1CCC[C@@H](CN(C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC001462075013 1063917095 /nfs/dbraw/zinc/91/70/95/1063917095.db2.gz MWSXLDCGMRTJNF-LSDHHAIUSA-N 0 0 321.461 4.365 20 10 DICDRN CC[C@@H]1CCC[C@@H](CN(C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC001462075012 1063917499 /nfs/dbraw/zinc/91/74/99/1063917499.db2.gz MWSXLDCGMRTJNF-HUUCEWRRSA-N 0 0 321.461 4.365 20 10 DICDRN Cc1ccc(C)n1-c1ccc(-c2nnc([C@H]3CCO[C@H]3C)o2)cc1 ZINC001261490143 1063927438 /nfs/dbraw/zinc/92/74/38/1063927438.db2.gz MRPVBDFPRCKDRQ-YOEHRIQHSA-N 0 0 323.396 4.037 20 10 DICDRN CCC1(CC)Oc2ccc(NCc3cc(F)ccc3O)cc2O1 ZINC001462108069 1063932093 /nfs/dbraw/zinc/93/20/93/1063932093.db2.gz XFVKLLWPYNPCPU-UHFFFAOYSA-N 0 0 317.360 4.431 20 10 DICDRN CC(C)n1ncc2c1[C@H]([NH2+][C@H](C)c1c([O-])cccc1F)CCC2 ZINC001262077493 1063953884 /nfs/dbraw/zinc/95/38/84/1063953884.db2.gz FXUPWYANIIXHRF-IUODEOHRSA-N 0 0 317.408 4.037 20 10 DICDRN Cc1ccc(Cl)c(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000378932947 1063981097 /nfs/dbraw/zinc/98/10/97/1063981097.db2.gz ZPAYQQBDSLIYND-UHFFFAOYSA-N 0 0 316.832 4.097 20 10 DICDRN CC[C@H]([NH2+]Cc1cccc(Br)c1[O-])C1CCCC1 ZINC000382819827 1064000879 /nfs/dbraw/zinc/00/08/79/1064000879.db2.gz KQNXWQJWDGHTBE-AWEZNQCLSA-N 0 0 312.251 4.213 20 10 DICDRN Cc1cccc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)c1C ZINC001264287136 1064065115 /nfs/dbraw/zinc/06/51/15/1064065115.db2.gz LDDOXYCDJGSAQZ-UHFFFAOYSA-N 0 0 322.452 4.176 20 10 DICDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1(C)CCCCC1 ZINC001264286893 1064065255 /nfs/dbraw/zinc/06/52/55/1064065255.db2.gz BVLKDHZMURUAHN-UHFFFAOYSA-N 0 0 314.473 4.216 20 10 DICDRN COc1cc(Cl)cc(C[N@@H+]2CCCc3ccccc3C2)c1O 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ZINC001306978787 1065232226 /nfs/dbraw/zinc/23/22/26/1065232226.db2.gz POYVEPNYYFHANO-UHFFFAOYSA-N 0 0 312.369 4.100 20 10 DICDRN C[C@H](Nc1nc(C2CCCCC2)ns1)c1ccccc1O ZINC001307188906 1065297161 /nfs/dbraw/zinc/29/71/61/1065297161.db2.gz VZLBJSQXBADHDL-NSHDSACASA-N 0 0 303.431 4.465 20 10 DICDRN Cc1cc(C(=O)Cn2ccnc2C)c(C)n1-c1ccc(C)c(C)c1 ZINC001307319241 1065339894 /nfs/dbraw/zinc/33/98/94/1065339894.db2.gz CCONRBYRWDYJKN-UHFFFAOYSA-N 0 0 321.424 4.099 20 10 DICDRN Cc1cccc(NC(=O)[C@@H](C)Sc2ncc(Cl)s2)c1 ZINC001307377089 1065361657 /nfs/dbraw/zinc/36/16/57/1065361657.db2.gz KWVORDACAYBDSD-SECBINFHSA-N 0 0 312.847 4.224 20 10 DICDRN Clc1cnc(SCc2cncc(Br)c2)s1 ZINC001307377471 1065361708 /nfs/dbraw/zinc/36/17/08/1065361708.db2.gz PAIWPUAAJSZCQT-UHFFFAOYSA-N 0 0 321.652 4.246 20 10 DICDRN CCC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC001307563241 1065484673 /nfs/dbraw/zinc/48/46/73/1065484673.db2.gz KLGJADSDQHUAGX-CYBMUJFWSA-N 0 0 309.837 4.260 20 10 DICDRN CCN(Cc1ccc(Cl)s1)c1ccc(OC)c(OC)c1 ZINC001307573507 1065489265 /nfs/dbraw/zinc/48/92/65/1065489265.db2.gz IRWBYXQQQBTFTN-UHFFFAOYSA-N 0 0 311.834 4.445 20 10 DICDRN COc1ccc(N(CC(=O)c2ccccc2F)C(C)C)cc1F ZINC001307572943 1065490060 /nfs/dbraw/zinc/49/00/60/1065490060.db2.gz FJCAUGWUFCEQKA-UHFFFAOYSA-N 0 0 319.351 4.071 20 10 DICDRN COc1ccc(N(CCCc2scnc2C)C(C)C)cc1F ZINC001307572789 1065490130 /nfs/dbraw/zinc/49/01/30/1065490130.db2.gz DDJUWLZXOPUFHM-UHFFFAOYSA-N 0 0 322.449 4.447 20 10 DICDRN COc1ccc(N(C)CCc2ccc(Cl)cc2)c(OC)c1 ZINC001307598665 1065507472 /nfs/dbraw/zinc/50/74/72/1065507472.db2.gz VIYSCYPQWLSWRR-UHFFFAOYSA-N 0 0 305.805 4.036 20 10 DICDRN C[C@H](c1ccc2c(c1)CCC2)N1CCOc2cc(N(C)C)ccc21 ZINC001307647667 1065539297 /nfs/dbraw/zinc/53/92/97/1065539297.db2.gz HCACDRGJUFDAFG-OAHLLOKOSA-N 0 0 322.452 4.201 20 10 DICDRN COc1ccc(N(CCC(C)C)C[C@H](OC)C2CCC2)cc1 ZINC001307739705 1065596775 /nfs/dbraw/zinc/59/67/75/1065596775.db2.gz DFNXOOMURYQQQT-IBGZPJMESA-N 0 0 305.462 4.363 20 10 DICDRN COc1ccc(N(Cc2csc(Cl)n2)CC2CC2)cc1 ZINC001307782877 1065619755 /nfs/dbraw/zinc/61/97/55/1065619755.db2.gz YHXPJJYEQVRZAS-UHFFFAOYSA-N 0 0 308.834 4.222 20 10 DICDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1cccc(F)n1 ZINC001307864072 1065658527 /nfs/dbraw/zinc/65/85/27/1065658527.db2.gz NMZNSNHEOSCBQJ-OAHLLOKOSA-N 0 0 314.404 4.064 20 10 DICDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1cc(C)ns1 ZINC001307863139 1065658979 /nfs/dbraw/zinc/65/89/79/1065658979.db2.gz DWUHJDRYHYQDMW-OAHLLOKOSA-N 0 0 316.470 4.295 20 10 DICDRN CCOc1ccc(N(C)Cc2cccnc2C(F)(F)F)cc1 ZINC001308058026 1065743940 /nfs/dbraw/zinc/74/39/40/1065743940.db2.gz BGIKWTMRWUBRRT-UHFFFAOYSA-N 0 0 310.319 4.136 20 10 DICDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC001308249995 1065853664 /nfs/dbraw/zinc/85/36/64/1065853664.db2.gz MWXCTURQUCCONY-QGZVFWFLSA-N 0 0 321.342 4.441 20 10 DICDRN CC[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1ccncc1 ZINC001308283112 1065880419 /nfs/dbraw/zinc/88/04/19/1065880419.db2.gz 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CCC[C@H](C)[N@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC001308630609 1066126564 /nfs/dbraw/zinc/12/65/64/1066126564.db2.gz JSBPTSIOCPHMTN-NSHDSACASA-N 0 0 300.240 4.084 20 10 DICDRN CC(C)c1ccc(O)c(CNc2cccc(-n3ccnc3)c2)c1 ZINC001308635157 1066130217 /nfs/dbraw/zinc/13/02/17/1066130217.db2.gz KVMYKSRPUZWHNB-UHFFFAOYSA-N 0 0 307.397 4.313 20 10 DICDRN COc1ccc2c(c1)CCCN2Cc1ccc(Cl)cc1F ZINC001308675040 1066149453 /nfs/dbraw/zinc/14/94/53/1066149453.db2.gz RHFYFVRXJRYELH-UHFFFAOYSA-N 0 0 305.780 4.441 20 10 DICDRN COc1ccc(N(C)Cc2nc3c(s2)C[C@@H](C)CC3)cc1F ZINC001308675849 1066150871 /nfs/dbraw/zinc/15/08/71/1066150871.db2.gz CDVWKIRRTWSLTK-NSHDSACASA-N 0 0 320.433 4.052 20 10 DICDRN COc1ccc(CN(C)c2ccc(C(C)C)cc2)c(O)c1OC ZINC001308677955 1066151558 /nfs/dbraw/zinc/15/15/58/1066151558.db2.gz SLNCRYYOKGOESD-UHFFFAOYSA-N 0 0 315.413 4.169 20 10 DICDRN COc1cc(N(C)Cc2csc(C)c2C)cc(OC)c1OC ZINC001308677592 1066152211 /nfs/dbraw/zinc/15/22/11/1066152211.db2.gz OHXWQSAZJILZGX-UHFFFAOYSA-N 0 0 321.442 4.027 20 10 DICDRN CN(C)c1ccc(/C=C\CN2CCc3ccc(Cl)cc32)cc1 ZINC001308678822 1066152277 /nfs/dbraw/zinc/15/22/77/1066152277.db2.gz ZTSBGRIJTILSKB-ARJAWSKDSA-N 0 0 312.844 4.482 20 10 DICDRN CSc1c(F)cc(NCc2cc(F)c(F)cc2O)cc1F ZINC001308685801 1066155154 /nfs/dbraw/zinc/15/51/54/1066155154.db2.gz PNQDFAMHYSANIN-UHFFFAOYSA-N 0 0 317.307 4.283 20 10 DICDRN Cc1n[nH]c(CN(C)c2ccc(OCc3ccccc3)cc2)c1C ZINC001308698332 1066185948 /nfs/dbraw/zinc/18/59/48/1066185948.db2.gz WWXGYFVYHPFTBF-UHFFFAOYSA-N 0 0 321.424 4.242 20 10 DICDRN COc1cc(O)c(CNc2ccc(C3CC3)c(C)c2)cc1OC ZINC001308697200 1066186414 /nfs/dbraw/zinc/18/64/14/1066186414.db2.gz NJYZDMRECCPDEZ-UHFFFAOYSA-N 0 0 313.397 4.207 20 10 DICDRN Cc1ccccc1[C@@]1(F)CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001308718788 1066197580 /nfs/dbraw/zinc/19/75/80/1066197580.db2.gz SPUNHZCXOIAZOP-GOSISDBHSA-N 0 0 319.807 4.425 20 10 DICDRN [O-]c1c(C[NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)ccc(F)c1F ZINC001308742749 1066215801 /nfs/dbraw/zinc/21/58/01/1066215801.db2.gz WNYLQTFMWOELAR-GOEBONIOSA-N 0 0 317.379 4.486 20 10 DICDRN [O-]c1c(C[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)ccc(F)c1F ZINC001308742748 1066215898 /nfs/dbraw/zinc/21/58/98/1066215898.db2.gz WNYLQTFMWOELAR-GDBMZVCRSA-N 0 0 317.379 4.486 20 10 DICDRN CCCC[N@H+](Cc1ccc(C)cc1O)[C@@H]1CCCC[C@H]1OC ZINC001308768074 1066241069 /nfs/dbraw/zinc/24/10/69/1066241069.db2.gz ZIVBKBNZJJXWOO-IEBWSBKVSA-N 0 0 305.462 4.260 20 10 DICDRN C[C@H]([NH2+]Cc1cc(F)c(F)cc1[O-])c1cccc(C2CC2)c1 ZINC001308784221 1066258121 /nfs/dbraw/zinc/25/81/21/1066258121.db2.gz HSYZHRUULDYJON-NSHDSACASA-N 0 0 303.352 4.399 20 10 DICDRN Cc1ccccc1CC[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC001308787732 1066262872 /nfs/dbraw/zinc/26/28/72/1066262872.db2.gz XYBAOERHBCCDKO-UHFFFAOYSA-N 0 0 307.796 4.168 20 10 DICDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@H](C3CCC3)C2)c1 ZINC001308817526 1066294067 /nfs/dbraw/zinc/29/40/67/1066294067.db2.gz FPZWAYZPAOAMQR-ZDUSSCGKSA-N 0 0 324.262 4.085 20 10 DICDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2CC1(OC)CCCC1 ZINC001308827418 1066304566 /nfs/dbraw/zinc/30/45/66/1066304566.db2.gz MVIMBNBMOFELCZ-QGZVFWFLSA-N 0 0 317.473 4.289 20 10 DICDRN COc1ccc(N(C)Cc2ccc3c(c2)CCCC3)cc1OC ZINC001308839408 1066315800 /nfs/dbraw/zinc/31/58/00/1066315800.db2.gz DYHHVHNGQPUNRS-UHFFFAOYSA-N 0 0 311.425 4.219 20 10 DICDRN Cc1cc(C)c2c(c1)N(C/C=C\c1ccc(N(C)C)cc1)CCO2 ZINC001308849991 1066326818 /nfs/dbraw/zinc/32/68/18/1066326818.db2.gz ZAEULUYQPKXHFW-WAYWQWQTSA-N 0 0 322.452 4.282 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC(c2ccco2)CC1 ZINC001308853748 1066332980 /nfs/dbraw/zinc/33/29/80/1066332980.db2.gz ANJPFFHEKRPSGK-UHFFFAOYSA-N 0 0 309.768 4.157 20 10 DICDRN C[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(Cl)cc1 ZINC000756343521 1066468083 /nfs/dbraw/zinc/46/80/83/1066468083.db2.gz OWNCZRNREYFAAS-QWRGUYRKSA-N 0 0 320.776 4.366 20 10 DICDRN CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(C)cc1 ZINC000756350548 1066468425 /nfs/dbraw/zinc/46/84/25/1066468425.db2.gz BMXCFXXOIJFUKY-DYVFJYSZSA-N 0 0 314.385 4.411 20 10 DICDRN Cc1cc(Cl)ccc1NC(=O)N[C@H](C)c1ccccc1O ZINC001309978934 1066470785 /nfs/dbraw/zinc/47/07/85/1066470785.db2.gz JMAHKZITPJMFGM-LLVKDONJSA-N 0 0 304.777 4.237 20 10 DICDRN C[C@H](NC(=O)NCC1(C)CCCCCC1)c1ccccc1O ZINC001312419699 1066790737 /nfs/dbraw/zinc/79/07/37/1066790737.db2.gz JFJNLGJQSBIFDK-AWEZNQCLSA-N 0 0 304.434 4.113 20 10 DICDRN CC[C@@H]1CCCC[C@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC001312786801 1066857158 /nfs/dbraw/zinc/85/71/58/1066857158.db2.gz BWYICIXYDYKFNU-OLZOCXBDSA-N 0 0 324.852 4.061 20 10 DICDRN CCOc1cccc(NCc2cc(Cl)cc(OC)c2O)c1 ZINC000076274078 191608669 /nfs/dbraw/zinc/60/86/69/191608669.db2.gz GESUHLTTXRXZCS-UHFFFAOYSA-N 0 0 307.777 4.065 20 10 DICDRN CCCCCCOc1ccc(C=C2SC(=S)NC2=O)cc1 ZINC000006209259 181319743 /nfs/dbraw/zinc/31/97/43/181319743.db2.gz WPNFEOLNZDWAAJ-KAMYIIQDSA-N 0 0 321.467 4.135 20 10 DICDRN C[C@@H](NCc1ccc(N2CCC(C)CC2)cc1)c1nccs1 ZINC000093406270 193245686 /nfs/dbraw/zinc/24/56/86/193245686.db2.gz VBDDSZNAFRVZOL-OAHLLOKOSA-N 0 0 315.486 4.230 20 10 DICDRN Nc1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1 ZINC000020022343 182179758 /nfs/dbraw/zinc/17/97/58/182179758.db2.gz JFVOHYXYMNHGNO-UHFFFAOYSA-N 0 0 306.818 4.043 20 10 DICDRN CN1C(=O)/C(=C/c2ccccc2-c2ccccc2)SC1=S ZINC000040860384 183143752 /nfs/dbraw/zinc/14/37/52/183143752.db2.gz CZWAEVMRVPKETQ-PTNGSMBKSA-N 0 0 311.431 4.185 20 10 DICDRN C[C@H]([NH2+][C@H]1CCSc2ccccc21)c1ccc(F)cc1[O-] ZINC000062747536 184252055 /nfs/dbraw/zinc/25/20/55/184252055.db2.gz LMQZKNOBQUNKLF-NHYWBVRUSA-N 0 0 303.402 4.419 20 10 DICDRN CC(C)Oc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000273303838 130105261 /nfs/dbraw/zinc/10/52/61/130105261.db2.gz CEVIGERVMNPAHP-CYBMUJFWSA-N 0 0 303.377 4.169 20 10 DICDRN C[C@@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273539580 130133579 /nfs/dbraw/zinc/13/35/79/130133579.db2.gz YBCHQCJTRAVQHY-GMTAPVOTSA-N 0 0 318.244 4.165 20 10 DICDRN CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000273621888 130147260 /nfs/dbraw/zinc/14/72/60/130147260.db2.gz ZJHOKQNCNAYNQI-WBMJQRKESA-N 0 0 300.358 4.102 20 10 DICDRN Oc1cccc(Cl)c1C[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000274222794 130218579 /nfs/dbraw/zinc/21/85/79/130218579.db2.gz ZHQKYLYWQRPBSB-RDTXWAMCSA-N 0 0 317.816 4.056 20 10 DICDRN COc1ccc(N[C@H](C)c2c(C)cc(C)cc2O)cc1OC ZINC000285443113 131168904 /nfs/dbraw/zinc/16/89/04/131168904.db2.gz ZDRGKRWPHCDNBZ-CYBMUJFWSA-N 0 0 301.386 4.199 20 10 DICDRN CSCc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000285675802 131192487 /nfs/dbraw/zinc/19/24/87/131192487.db2.gz NHQGSPAOWKIDQQ-GFCCVEGCSA-N 0 0 305.418 4.245 20 10 DICDRN CCOCc1ccccc1C[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000285754073 131200185 /nfs/dbraw/zinc/20/01/85/131200185.db2.gz RULRXLWCWIULSC-GOSISDBHSA-N 0 0 317.404 4.309 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)c1c(F)cncc1F)c1ccc(F)cc1[O-] ZINC000285801899 131203679 /nfs/dbraw/zinc/20/36/79/131203679.db2.gz VWZAFIIHHDKEJE-LKFCYVNXSA-N 0 0 310.319 4.006 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1[O-] ZINC000285928428 131210536 /nfs/dbraw/zinc/21/05/36/131210536.db2.gz CUMSNRMMRHISOL-XHDPSFHLSA-N 0 0 318.348 4.241 20 10 DICDRN CC[C@H]([NH2+][C@H](C)C[C@H](O)c1cccs1)c1ccc(F)cc1[O-] ZINC000286155389 131222703 /nfs/dbraw/zinc/22/27/03/131222703.db2.gz POUGCCZGFBYCIA-WPGHFRTFSA-N 0 0 323.433 4.146 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)cc1)c1ccc(F)cc1[O-] ZINC000286348972 131232567 /nfs/dbraw/zinc/23/25/67/131232567.db2.gz YRERDDJUEWYXKL-YVEFUNNKSA-N 0 0 303.377 4.342 20 10 DICDRN CC[C@H]([NH2+]C[C@@H](C)c1nccs1)c1cccc(Cl)c1[O-] ZINC000287534351 131285119 /nfs/dbraw/zinc/28/51/19/131285119.db2.gz DTPXSVKYRJDEIY-MFKMUULPSA-N 0 0 310.850 4.347 20 10 DICDRN CC[C@H]([NH2+][C@H]1CCCOCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287576077 131287871 /nfs/dbraw/zinc/28/78/71/131287871.db2.gz HAYVVHXHAGFKAU-FZMZJTMJSA-N 0 0 318.244 4.309 20 10 DICDRN CC[C@H]([NH2+]CCCc1nccs1)c1cccc(Cl)c1[O-] ZINC000287653979 131293754 /nfs/dbraw/zinc/29/37/54/131293754.db2.gz LHYZNZMNNANONA-ZDUSSCGKSA-N 0 0 310.850 4.176 20 10 DICDRN CC[C@H]([NH2+]CC1CCOCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287760435 131298392 /nfs/dbraw/zinc/29/83/92/131298392.db2.gz QULJUESCXAVEER-AWEZNQCLSA-N 0 0 318.244 4.166 20 10 DICDRN Cc1c2ccccc2n(C)c1CNc1ncnc2ccccc21 ZINC000479156073 435321585 /nfs/dbraw/zinc/32/15/85/435321585.db2.gz LTBNTICKIPJTPZ-UHFFFAOYSA-N 0 0 302.381 4.042 20 10 DICDRN CC[C@@H](Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccccc1O ZINC000157318519 332810324 /nfs/dbraw/zinc/81/03/24/332810324.db2.gz KDCMIAKUJMZCPP-SJLPKXTDSA-N 0 0 313.397 4.123 20 10 DICDRN FC(F)(F)c1ccc(NCc2ccc(N3CC=CC3)cc2)nc1 ZINC000301361483 336302545 /nfs/dbraw/zinc/30/25/45/336302545.db2.gz OYZNYJNKCMQVMC-UHFFFAOYSA-N 0 0 319.330 4.089 20 10 DICDRN CCN(CC)c1ccc(CNc2nc(C3CC3)ns2)cc1F ZINC000301552606 336314474 /nfs/dbraw/zinc/31/44/74/336314474.db2.gz YRKFUZWRNIGBBK-UHFFFAOYSA-N 0 0 320.437 4.013 20 10 DICDRN FC(F)(F)c1cccnc1NCCCSc1nccs1 ZINC000301754128 336327784 /nfs/dbraw/zinc/32/77/84/336327784.db2.gz CJPYSXASIGEXJH-UHFFFAOYSA-N 0 0 319.377 4.151 20 10 DICDRN C[C@H](Nc1nc(-c2ccccc2)ns1)c1ccc(N(C)C)cc1 ZINC000302366008 336357644 /nfs/dbraw/zinc/35/76/44/336357644.db2.gz GAIBZABNQRWOAZ-ZDUSSCGKSA-N 0 0 324.453 4.444 20 10 DICDRN C[C@@H](Nc1cc(C(F)(F)F)ccn1)c1ccc(N(C)C)cc1 ZINC000302407712 336358371 /nfs/dbraw/zinc/35/83/71/336358371.db2.gz MDNDHTBXQZLNBA-LLVKDONJSA-N 0 0 309.335 4.340 20 10 DICDRN Cc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000189371980 337279117 /nfs/dbraw/zinc/27/91/17/337279117.db2.gz HPUQKLXIFXTTHM-BLLLJJGKSA-N 0 0 301.361 4.014 20 10 DICDRN C[C@H]([NH2+][C@@H](c1ccccc1)c1ccccn1)c1ccc(F)cc1[O-] ZINC000359971339 337441162 /nfs/dbraw/zinc/44/11/62/337441162.db2.gz BKLKQECMPWFQAQ-XOBRGWDASA-N 0 0 322.383 4.367 20 10 DICDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H](C)c1ccccc1F ZINC000471219359 339340253 /nfs/dbraw/zinc/34/02/53/339340253.db2.gz HLNNAKPDKPNKIJ-CQSZACIVSA-N 0 0 324.399 4.046 20 10 DICDRN CCCCS[C@H](C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000471219235 339340308 /nfs/dbraw/zinc/34/03/08/339340308.db2.gz HAABYZOUWSCSCT-CQSZACIVSA-N 0 0 318.486 4.025 20 10 DICDRN CN(C)c1ccc(CNc2cccc(Br)c2)cc1 ZINC000008701797 517914076 /nfs/dbraw/zinc/91/40/76/517914076.db2.gz VYYYFXULYMGMRV-UHFFFAOYSA-N 0 0 305.219 4.127 20 10 DICDRN CC(C)(C)Sc1ccc(NC(=O)Cc2ccc(N)cc2)cc1 ZINC000236601433 518912651 /nfs/dbraw/zinc/91/26/51/518912651.db2.gz YQFCVEFKALHMAG-UHFFFAOYSA-N 0 0 314.454 4.341 20 10 DICDRN CC(=O)Nc1cccc(N[C@H](C)c2cc3c(cc2O)CCCC3)c1 ZINC000186245829 519745497 /nfs/dbraw/zinc/74/54/97/519745497.db2.gz BAYYOCFJCAOURN-CYBMUJFWSA-N 0 0 324.424 4.403 20 10 DICDRN CC(C)COC[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])c1ccco1 ZINC000181376770 519755230 /nfs/dbraw/zinc/75/52/30/519755230.db2.gz IVTNSAIVXINDCJ-OAHLLOKOSA-N 0 0 323.820 4.142 20 10 DICDRN CC[C@H](Nc1cccc(NC(C)=O)c1)c1ccc(N(C)C)cc1 ZINC000182716994 522773851 /nfs/dbraw/zinc/77/38/51/522773851.db2.gz KMGWDIYSYYXNFG-IBGZPJMESA-N 0 0 311.429 4.274 20 10 DICDRN CC[C@@H](N[C@@H](C)c1noc(-c2ccccc2)n1)c1ccccc1O ZINC000156362963 522916164 /nfs/dbraw/zinc/91/61/64/522916164.db2.gz NQERWDHMPBABEG-XJKSGUPXSA-N 0 0 323.396 4.244 20 10 DICDRN COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000158082023 523857842 /nfs/dbraw/zinc/85/78/42/523857842.db2.gz IGDJUMPBKMOSTD-LBPRGKRZSA-N 0 0 305.805 4.213 20 10 DICDRN COc1ccc(CCCCCC(=O)Nc2ccc(N)cc2)cc1 ZINC000237209837 523932798 /nfs/dbraw/zinc/93/27/98/523932798.db2.gz DPFXANZCEQJWOL-UHFFFAOYSA-N 0 0 312.413 4.019 20 10 DICDRN Cc1cccc(CNc2ccc(N3C[C@H]4CC[C@@H]3C4)cc2)c1O ZINC000190605996 524442226 /nfs/dbraw/zinc/44/22/26/524442226.db2.gz AQOQORUWUGFKFS-HNAYVOBHSA-N 0 0 308.425 4.301 20 10 DICDRN C[C@H]([NH2+]Cc1ccc(C(F)F)cc1)c1ccc(F)c(F)c1[O-] ZINC000187921408 525435203 /nfs/dbraw/zinc/43/52/03/525435203.db2.gz MREAXQJALUTAAX-VIFPVBQESA-N 0 0 313.294 4.459 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000158193375 525575221 /nfs/dbraw/zinc/57/52/21/525575221.db2.gz TXJYALVZGYKANO-CRFBAAHOSA-N 0 0 315.388 4.102 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])c1ccc(F)cc1F ZINC000191183088 525606696 /nfs/dbraw/zinc/60/66/96/525606696.db2.gz TXWBJKRJULQDLN-BDAKNGLRSA-N 0 0 313.294 4.360 20 10 DICDRN C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)Cc1ccc(N)cc1 ZINC000237625746 526088208 /nfs/dbraw/zinc/08/82/08/526088208.db2.gz QBLXEUSKCJGVKC-INIZCTEOSA-N 0 0 322.452 4.201 20 10 DICDRN Oc1c(Cl)cccc1CNc1cccc(-c2cnco2)c1 ZINC000158016522 526328773 /nfs/dbraw/zinc/32/87/73/526328773.db2.gz HOXSOABSDZDMSX-UHFFFAOYSA-N 0 0 300.745 4.313 20 10 DICDRN Nc1ccc(NC(=O)C2(c3cccs3)CCCCC2)cc1 ZINC000237968227 527491949 /nfs/dbraw/zinc/49/19/49/527491949.db2.gz QBZDQUMJEGVSQL-UHFFFAOYSA-N 0 0 300.427 4.171 20 10 DICDRN CC[C@@H]([NH2+]Cc1cc(C)cc(Cl)n1)c1ccc(F)cc1[O-] ZINC000287616741 535805356 /nfs/dbraw/zinc/80/53/56/535805356.db2.gz STSGLZORAXJECH-CQSZACIVSA-N 0 0 308.784 4.129 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc([C@@H](C)O)cc1)c1cccc(Cl)c1[O-] ZINC000287269828 535917883 /nfs/dbraw/zinc/91/78/83/535917883.db2.gz AWMYSMCSTRSWTF-PXAZEXFGSA-N 0 0 319.832 4.340 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1cccc(Cl)c1[O-] ZINC000286941819 535917981 /nfs/dbraw/zinc/91/79/81/535917981.db2.gz MCWZQSNQQNLGOC-AWEZNQCLSA-N 0 0 319.788 4.015 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1cccc(Cl)c1[O-] ZINC000287551095 535935881 /nfs/dbraw/zinc/93/58/81/535935881.db2.gz FQGVSQBALQVUBZ-DANNLKNASA-N 0 0 309.837 4.044 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000286882133 535939644 /nfs/dbraw/zinc/93/96/44/535939644.db2.gz CMXBDQQVIBUCKQ-BIGNPOOSSA-N 0 0 318.244 4.165 20 10 DICDRN CC[C@H]([NH2+][C@H](C)c1cccc(OC)c1)c1ccc(F)cc1[O-] ZINC000286043868 535942244 /nfs/dbraw/zinc/94/22/44/535942244.db2.gz KRGWSCWNXIYOAU-PXAZEXFGSA-N 0 0 303.377 4.342 20 10 DICDRN CC[C@H]([NH2+][C@H](C)c1ccccc1OC)c1ccc(F)cc1[O-] ZINC000285604439 535943277 /nfs/dbraw/zinc/94/32/77/535943277.db2.gz JYJGDZVSEZCAFR-WBMJQRKESA-N 0 0 303.377 4.342 20 10 DICDRN 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/nfs/dbraw/zinc/86/93/78/1039869378.db2.gz AMUXKHMOEVEIJT-INIZCTEOSA-N 0 0 310.397 4.086 20 10 DICDRN COC(=O)c1ccc([C@@H](C)Sc2ncc(Cl)s2)o1 ZINC000849999170 1039993848 /nfs/dbraw/zinc/99/38/48/1039993848.db2.gz OXYJFYFEAUWVEE-ZCFIWIBFSA-N 0 0 303.792 4.029 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccc(C)c(OC)c1)c1ccc(F)cc1[O-] ZINC000796720729 1040494760 /nfs/dbraw/zinc/49/47/60/1040494760.db2.gz QEDYCDRZGGVNTM-MRXNPFEDSA-N 0 0 303.377 4.089 20 10 DICDRN CN(C)c1ccc(CN[C@H](c2ccco2)c2ccccc2)cc1 ZINC000066236366 1040737618 /nfs/dbraw/zinc/73/76/18/1040737618.db2.gz UJXJXBJCSSGSAG-FQEVSTJZSA-N 0 0 306.409 4.225 20 10 DICDRN C[C@H]([NH2+]CCC(C)(C)F)c1cc(Br)cc(F)c1[O-] ZINC000850533075 1041096196 /nfs/dbraw/zinc/09/61/96/1041096196.db2.gz YPGYWFXAIWUTGU-QMMMGPOBSA-N 0 0 322.193 4.083 20 10 DICDRN Cc1ncc(/C=C\C(=O)N(C)c2ccccc2C(C)C)s1 ZINC000809389955 1041147435 /nfs/dbraw/zinc/14/74/35/1041147435.db2.gz YHRPIJQUTJOBJD-KTKRTIGZSA-N 0 0 300.427 4.251 20 10 DICDRN Cc1ncsc1/C=C/C(=O)N(C)c1ccccc1C(C)C ZINC000809391544 1041156859 /nfs/dbraw/zinc/15/68/59/1041156859.db2.gz XMWILIXEEIMJAM-MDZDMXLPSA-N 0 0 300.427 4.251 20 10 DICDRN COc1cccc(O)c1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000809695104 1041216054 /nfs/dbraw/zinc/21/60/54/1041216054.db2.gz YUUFGDQEYACTRM-ZHALLVOQSA-N 0 0 323.436 4.169 20 10 DICDRN CC(C)C(=O)Nc1cccc(N[C@H](C)c2cc(F)ccc2O)c1 ZINC000176984658 1041229024 /nfs/dbraw/zinc/22/90/24/1041229024.db2.gz RCZCLIZKCVAURY-GFCCVEGCSA-N 0 0 316.376 4.299 20 10 DICDRN CCOc1ccc(N[C@H](C)c2cc(F)ccc2O)cc1OC ZINC000176983346 1041230461 /nfs/dbraw/zinc/23/04/61/1041230461.db2.gz WXSRPCMJSQLASN-LLVKDONJSA-N 0 0 305.349 4.112 20 10 DICDRN COc1cc(Cl)cc(CN2Cc3cccc(Cl)c3C2)c1O ZINC000809771939 1041234642 /nfs/dbraw/zinc/23/46/42/1041234642.db2.gz QIUOBSDRECHJGN-UHFFFAOYSA-N 0 0 324.207 4.223 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+](Cc1cccnc1)C1CC1 ZINC000809764237 1041250108 /nfs/dbraw/zinc/25/01/08/1041250108.db2.gz VFBUITLWWRLRHI-UHFFFAOYSA-N 0 0 323.223 4.259 20 10 DICDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccccc2)c1[O-] ZINC000181362714 1041276616 /nfs/dbraw/zinc/27/66/16/1041276616.db2.gz CAJBSZMHLPQFGH-LLVKDONJSA-N 0 0 303.789 4.099 20 10 DICDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccccc2)c1[O-] ZINC000181362694 1041278239 /nfs/dbraw/zinc/27/82/39/1041278239.db2.gz CAJBSZMHLPQFGH-NSHDSACASA-N 0 0 303.789 4.099 20 10 DICDRN COc1ccc(N(C)Cc2cc(C(C)(C)C)on2)cc1Cl ZINC000809953998 1041283937 /nfs/dbraw/zinc/28/39/37/1041283937.db2.gz OOSQDCHIWDCWEQ-UHFFFAOYSA-N 0 0 308.809 4.271 20 10 DICDRN CCC[C@@H](C)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC001132011305 1041295472 /nfs/dbraw/zinc/29/54/72/1041295472.db2.gz JXLYHHYGPAKWIJ-OAHLLOKOSA-N 0 0 312.457 4.189 20 10 DICDRN Cc1cc(CNC(=O)C2=CCCC2)c(C)n1-c1cccc(C)c1 ZINC001132044877 1041303166 /nfs/dbraw/zinc/30/31/66/1041303166.db2.gz ZDISCRCHLPGPBU-UHFFFAOYSA-N 0 0 308.425 4.129 20 10 DICDRN Cc1cc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)c(C)o1 ZINC001132043611 1041304019 /nfs/dbraw/zinc/30/40/19/1041304019.db2.gz JNYRAGSNOMKPRO-UHFFFAOYSA-N 0 0 322.408 4.234 20 10 DICDRN CC[C@H]([NH2+][C@H](C)[C@@H](C)OC)c1ccc(Cl)c(Cl)c1[O-] ZINC000810258811 1041349960 /nfs/dbraw/zinc/34/99/60/1041349960.db2.gz ZQDXUKSAQQKMIZ-LNLATYFQSA-N 0 0 306.233 4.163 20 10 DICDRN CC[C@H](Nc1cnn(CC)c1)c1ccc(C(F)(F)F)cc1O ZINC000810232152 1041345853 /nfs/dbraw/zinc/34/58/53/1041345853.db2.gz ACOFGWIOLIOOKM-ZDUSSCGKSA-N 0 0 313.323 4.191 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccc(C)nc1)c1ccc(C(F)(F)F)cc1O ZINC000810208617 1041347593 /nfs/dbraw/zinc/34/75/93/1041347593.db2.gz CXVLNJHLZYCJKB-OAHLLOKOSA-N 0 0 324.346 4.355 20 10 DICDRN CC[C@H]([NH2+][C@H](C)[C@H](C)OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000810256950 1041357833 /nfs/dbraw/zinc/35/78/33/1041357833.db2.gz JCYZWZQPHUDHHK-ZDMBXUJBSA-N 0 0 306.233 4.163 20 10 DICDRN COc1ccc(N(Cc2cscn2)Cc2cccs2)cc1 ZINC000782969070 1041358529 /nfs/dbraw/zinc/35/85/29/1041358529.db2.gz WHEHURWALODHIS-UHFFFAOYSA-N 0 0 316.451 4.420 20 10 DICDRN CC/C(C)=C(/C)C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001132268072 1041386874 /nfs/dbraw/zinc/38/68/74/1041386874.db2.gz SPIUDBUKICJPJL-PEZBUJJGSA-N 0 0 310.441 4.457 20 10 DICDRN C[C@H]([NH2+]CCc1ccc(Br)cc1)c1ccccc1O ZINC000312026186 1041519379 /nfs/dbraw/zinc/51/93/79/1041519379.db2.gz ZYKKUKOPKGXTFC-LBPRGKRZSA-N 0 0 320.230 4.048 20 10 DICDRN Oc1cccc(Cl)c1CNc1ncc(C(F)(F)F)s1 ZINC000811838197 1041573354 /nfs/dbraw/zinc/57/33/54/1041573354.db2.gz YLIYPXPNCIEYTF-UHFFFAOYSA-N 0 0 308.712 4.133 20 10 DICDRN C[C@@H](Nc1cnn(CC2CC2)c1)c1ccc(N2CCCCC2)cc1 ZINC000183421989 1041584239 /nfs/dbraw/zinc/58/42/39/1041584239.db2.gz RBIQVTIDPCQYJU-MRXNPFEDSA-N 0 0 324.472 4.457 20 10 DICDRN CCN(CC)[C@H](C[NH2+][C@@H](C)c1ccc(C)cc1O)c1ccco1 ZINC000185228042 1041609304 /nfs/dbraw/zinc/60/93/04/1041609304.db2.gz UHZIUWIODGJERG-DOTOQJQBSA-N 0 0 316.445 4.027 20 10 DICDRN Cc1nn(-c2ccccc2)cc1N[C@H](C)c1cc(F)ccc1O ZINC000186516951 1041632385 /nfs/dbraw/zinc/63/23/85/1041632385.db2.gz VCDFTLIMMFJCIV-GFCCVEGCSA-N 0 0 311.360 4.199 20 10 DICDRN CO[C@](C)(C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-])C1CC1 ZINC000812734875 1041642605 /nfs/dbraw/zinc/64/26/05/1041642605.db2.gz UESXYXWVRQLCQM-RFAUZJTJSA-N 0 0 318.244 4.165 20 10 DICDRN CCC[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])c1ccccn1 ZINC000756531721 1041687699 /nfs/dbraw/zinc/68/76/99/1041687699.db2.gz BOTJIHRPGDETRD-BDJLRTHQSA-N 0 0 306.356 4.257 20 10 DICDRN Cc1cc(CNCc2cscn2)c(C)n1-c1cccc(C)c1 ZINC000747852878 1041702761 /nfs/dbraw/zinc/70/27/61/1041702761.db2.gz PNWPCZRTWAVLIL-UHFFFAOYSA-N 0 0 311.454 4.149 20 10 DICDRN Cc1ccc(/C=C\C(=O)N2CCC[C@@H](C)c3ccccc32)cn1 ZINC001267924898 1041726987 /nfs/dbraw/zinc/72/69/87/1041726987.db2.gz GIWLKEZLDMZYMR-QYMJWVLRSA-N 0 0 306.409 4.334 20 10 DICDRN Cc1c(NCc2ccc(N(C)C)cc2)cccc1-c1ncco1 ZINC000813783896 1041730992 /nfs/dbraw/zinc/73/09/92/1041730992.db2.gz LNBJMTGLEAEJKD-UHFFFAOYSA-N 0 0 307.397 4.328 20 10 DICDRN CCN(C(=O)/C=C\c1ccc(Cl)nc1)c1ccccc1Cl ZINC000759790503 1041734886 /nfs/dbraw/zinc/73/48/86/1041734886.db2.gz PHPYNHAFEMAICG-NTMALXAHSA-N 0 0 321.207 4.455 20 10 DICDRN C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1F)c1ccc(F)cc1[O-] ZINC000813876624 1041741238 /nfs/dbraw/zinc/74/12/38/1041741238.db2.gz YLEYCEIDBVRTAF-LLVKDONJSA-N 0 0 303.352 4.399 20 10 DICDRN COc1ccc(N(Cc2ccccc2)Cc2ccncc2)cc1 ZINC000216743224 1041755837 /nfs/dbraw/zinc/75/58/37/1041755837.db2.gz VQYICLKRDVQZMI-UHFFFAOYSA-N 0 0 304.393 4.297 20 10 DICDRN CC1(C)[C@@H]2C[C@@H]([NH2+]Cc3cc(Cl)c4cccnc4c3[O-])C[C@@H]21 ZINC001170724621 1041765475 /nfs/dbraw/zinc/76/54/75/1041765475.db2.gz NPTPRTUBIMLJAZ-DEZZGGKRSA-N 0 0 316.832 4.118 20 10 DICDRN Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)N(Cc3ccccc3)C2)c(O)c1 ZINC000398170959 1041774838 /nfs/dbraw/zinc/77/48/38/1041774838.db2.gz FPLGHHZHACOKDE-LNLFQRSKSA-N 0 0 324.468 4.014 20 10 DICDRN Clc1cc(CNCc2ccc3c(c2)CCO3)c(Cl)s1 ZINC000312750085 1041780305 /nfs/dbraw/zinc/78/03/05/1041780305.db2.gz GRJQVCGAIFDVAP-UHFFFAOYSA-N 0 0 314.237 4.280 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1ccc(C2CC2)cc1F ZINC000814170241 1041783342 /nfs/dbraw/zinc/78/33/42/1041783342.db2.gz SRDIOKQGSYBVCX-UHFFFAOYSA-N 0 0 323.770 4.491 20 10 DICDRN C[C@H](C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)C1CC1 ZINC000747908943 1041786237 /nfs/dbraw/zinc/78/62/37/1041786237.db2.gz RXCBYSRJSNBXMY-HNNXBMFYSA-N 0 0 314.473 4.118 20 10 DICDRN C[C@@H](C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)C1CC1 ZINC000747908944 1041786360 /nfs/dbraw/zinc/78/63/60/1041786360.db2.gz RXCBYSRJSNBXMY-OAHLLOKOSA-N 0 0 314.473 4.118 20 10 DICDRN O=C1/C(=C\c2cscc2Cl)SC(=S)N1C1CCC1 ZINC000814185923 1041788093 /nfs/dbraw/zinc/78/80/93/1041788093.db2.gz QZMIIHBQQXKGDZ-ONNFQVAWSA-N 0 0 315.872 4.155 20 10 DICDRN C[C@@H]1C[C@H]1c1ccc(/C=C2\SC(=S)N(C3CCC3)C2=O)o1 ZINC000814185790 1041788252 /nfs/dbraw/zinc/78/82/52/1041788252.db2.gz PXQVGGKBIGNTAV-WDMMMDRRSA-N 0 0 319.451 4.157 20 10 DICDRN C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)c1cccc(O)c1 ZINC000194887663 1041795818 /nfs/dbraw/zinc/79/58/18/1041795818.db2.gz RMMNPXMUDALSIS-KRWDZBQOSA-N 0 0 324.468 4.479 20 10 DICDRN COC1(CCSc2ncc(-c3ccccc3)n2C)CCC1 ZINC000814730515 1041856442 /nfs/dbraw/zinc/85/64/42/1041856442.db2.gz BVKFIAHVYPJQQP-UHFFFAOYSA-N 0 0 302.443 4.138 20 10 DICDRN C[C@H](NC(=O)Nc1ccc(N)cc1)c1ccc2c(c1)CCCC2 ZINC000217313577 1041898566 /nfs/dbraw/zinc/89/85/66/1041898566.db2.gz DHJLYTDKFLLVKG-ZDUSSCGKSA-N 0 0 309.413 4.030 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H](CC)CC(F)F ZINC000837604421 1041912304 /nfs/dbraw/zinc/91/23/04/1041912304.db2.gz HORXEWWGSMPXHX-ZDUSSCGKSA-N 0 0 313.388 4.202 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC2(C)CCCC2)cc1 ZINC001126053965 1041912047 /nfs/dbraw/zinc/91/20/47/1041912047.db2.gz IAWPDUZLPGFBNF-UHFFFAOYSA-N 0 0 310.441 4.404 20 10 DICDRN CC[C@@H](CC(=O)NCc1ccc(N(C)C)cc1C)C(C)(C)C ZINC001126081482 1041930757 /nfs/dbraw/zinc/93/07/57/1041930757.db2.gz BGEFTVCOINYLOD-INIZCTEOSA-N 0 0 304.478 4.140 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)CC(F)(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000815617493 1041975565 /nfs/dbraw/zinc/97/55/65/1041975565.db2.gz OJVRMCHPJMCGHS-JGVFFNPUSA-N 0 0 315.257 4.403 20 10 DICDRN C[C@H]([NH2+]C[C@H]1Cc2ccccc21)c1cccc(C(F)(F)F)c1[O-] ZINC000815576736 1041966297 /nfs/dbraw/zinc/96/62/97/1041966297.db2.gz XLYUCDAJZLXGBC-WCQYABFASA-N 0 0 321.342 4.402 20 10 DICDRN CSCCCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815582119 1041967447 /nfs/dbraw/zinc/96/74/47/1041967447.db2.gz YIYHOFHEBYJXOB-SNVBAGLBSA-N 0 0 307.381 4.205 20 10 DICDRN C[C@@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])c1ccncc1 ZINC000815586467 1041967954 /nfs/dbraw/zinc/96/79/54/1041967954.db2.gz JKQFYUQWQVSGAO-RYUDHWBXSA-N 0 0 324.346 4.260 20 10 DICDRN C[C@@H](Cc1ccncc1)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815586732 1041968417 /nfs/dbraw/zinc/96/84/17/1041968417.db2.gz PKVVQRPCULWBQC-RYUDHWBXSA-N 0 0 324.346 4.088 20 10 DICDRN CCn1cc(N[C@@H](CCc2ccccc2)c2ccccc2O)cn1 ZINC000815609039 1041973080 /nfs/dbraw/zinc/97/30/80/1041973080.db2.gz VCHCANSCIFZEGY-IBGZPJMESA-N 0 0 321.424 4.395 20 10 DICDRN CC(=O)Nc1ccc(N[C@H](C)c2c(C)cc(C)cc2O)cc1C ZINC000815609758 1041973650 /nfs/dbraw/zinc/97/36/50/1041973650.db2.gz RQUFXBBPXDYOEY-CQSZACIVSA-N 0 0 312.413 4.449 20 10 DICDRN C[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815617494 1041975617 /nfs/dbraw/zinc/97/56/17/1041975617.db2.gz OJVRMCHPJMCGHS-SFYZADRCSA-N 0 0 315.257 4.403 20 10 DICDRN C[C@@H]([NH2+]C[C@H]1CCCSC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815626599 1041977201 /nfs/dbraw/zinc/97/72/01/1041977201.db2.gz ICCKVYGDUGGLQU-GHMZBOCLSA-N 0 0 319.392 4.205 20 10 DICDRN COc1cc(N[C@H](C)c2ccc(C)cc2O)cc(OC)c1C ZINC000815631190 1041978687 /nfs/dbraw/zinc/97/86/87/1041978687.db2.gz RTPXMECQCQXSIC-CYBMUJFWSA-N 0 0 301.386 4.199 20 10 DICDRN COc1cc(N[C@H](C)c2cc(F)ccc2O)cc(OC)c1C ZINC000815631138 1041978858 /nfs/dbraw/zinc/97/88/58/1041978858.db2.gz OZBODWMXMXQACG-LLVKDONJSA-N 0 0 305.349 4.030 20 10 DICDRN COc1cc(N[C@H](C)c2c(C)cc(C)cc2O)cc(OC)c1 ZINC000815609244 1041980802 /nfs/dbraw/zinc/98/08/02/1041980802.db2.gz BIYGAMCPIASFOQ-CYBMUJFWSA-N 0 0 301.386 4.199 20 10 DICDRN Cc1c(N[C@@H](CCc2ccccc2)c2ccccc2O)cnn1C ZINC000815609358 1041980865 /nfs/dbraw/zinc/98/08/65/1041980865.db2.gz FKPRDOPPZFPEBG-SFHVURJKSA-N 0 0 321.424 4.220 20 10 DICDRN COC1(CC[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])CCC1 ZINC000815641692 1041983360 /nfs/dbraw/zinc/98/33/60/1041983360.db2.gz FQPWTZJEELTZJL-SNVBAGLBSA-N 0 0 318.244 4.309 20 10 DICDRN CCc1noc(C)c1C[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000815640652 1041983446 /nfs/dbraw/zinc/98/34/46/1041983446.db2.gz CNVIOEIIBVVBOU-AWEZNQCLSA-N 0 0 308.809 4.145 20 10 DICDRN CC[C@H](NCc1c(F)cc(F)cc1F)c1ccc(N(C)C)cc1 ZINC000815650519 1041985929 /nfs/dbraw/zinc/98/59/29/1041985929.db2.gz TVMWRKJNGPNHQL-SFHVURJKSA-N 0 0 322.374 4.411 20 10 DICDRN C[C@H](Nc1ccc([C@@H]2CCOC2)cc1)c1ccc(N(C)C)cc1 ZINC000815653698 1041986713 /nfs/dbraw/zinc/98/67/13/1041986713.db2.gz QVNKDOMRHMEBSB-MAUKXSAKSA-N 0 0 310.441 4.430 20 10 DICDRN CC/C=C(/F)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC001625905018 1042022614 /nfs/dbraw/zinc/02/26/14/1042022614.db2.gz DWHGNPDAYDABHU-CNHKJKLMSA-N 0 0 318.436 4.335 20 10 DICDRN Oc1ccc(Br)c(Nc2ccc3c(c2)CCCN3)c1 ZINC001159477974 1042037371 /nfs/dbraw/zinc/03/73/71/1042037371.db2.gz DMCBRWASFUHYQU-UHFFFAOYSA-N 0 0 319.202 4.256 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000816531010 1042060987 /nfs/dbraw/zinc/06/09/87/1042060987.db2.gz CVEYCMMMAHLTRX-KRWDZBQOSA-N 0 0 305.780 4.426 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(Cl)cc1 ZINC000816531117 1042062157 /nfs/dbraw/zinc/06/21/57/1042062157.db2.gz GQGQQWDITMSKJS-UHFFFAOYSA-N 0 0 300.160 4.128 20 10 DICDRN Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816540556 1042063683 /nfs/dbraw/zinc/06/36/83/1042063683.db2.gz OXPONJBVUFCCDF-INIZCTEOSA-N 0 0 305.780 4.270 20 10 DICDRN COc1ccc(NCc2cc(Cl)c(F)cc2O)cc1Cl ZINC000816522986 1042065189 /nfs/dbraw/zinc/06/51/89/1042065189.db2.gz XOBUHVGDAKFFOC-UHFFFAOYSA-N 0 0 316.159 4.459 20 10 DICDRN Cc1c(NCc2cc(Cl)c(F)cc2O)cnn1C1CCCC1 ZINC000816592918 1042067628 /nfs/dbraw/zinc/06/76/28/1042067628.db2.gz YDPDKQRMFRKCHO-UHFFFAOYSA-N 0 0 323.799 4.417 20 10 DICDRN C[C@@H](O)c1cc(NCc2ccc3ccccc3c2O)ccc1F ZINC000816609591 1042073072 /nfs/dbraw/zinc/07/30/72/1042073072.db2.gz GVLSZZIOXKKVIL-GFCCVEGCSA-N 0 0 311.356 4.350 20 10 DICDRN CC[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H](C)c1cccnc1 ZINC000816612159 1042073482 /nfs/dbraw/zinc/07/34/82/1042073482.db2.gz IAFLEIPAYHDRRK-NSHDSACASA-N 0 0 308.784 4.163 20 10 DICDRN CC(C)Oc1ccc(N(C)Cc2nc3cc(F)ccc3o2)cc1 ZINC000759932963 1042088546 /nfs/dbraw/zinc/08/85/46/1042088546.db2.gz HNPPLBPONGJWMV-UHFFFAOYSA-N 0 0 314.360 4.391 20 10 DICDRN CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])CCO1 ZINC000817586077 1042118625 /nfs/dbraw/zinc/11/86/25/1042118625.db2.gz LNAFWUYZCWYSFF-HBNTYKKESA-N 0 0 318.244 4.307 20 10 DICDRN C[C@@H]([NH2+]C[C@H]1CC12CCSCC2)c1ccc(Cl)cc1[O-] ZINC000817588620 1042119413 /nfs/dbraw/zinc/11/94/13/1042119413.db2.gz HYDXCBXHRFVFSI-VXGBXAGGSA-N 0 0 311.878 4.230 20 10 DICDRN C[C@H]([NH2+]C[C@H]1CC12CCSCC2)c1ccc(Cl)cc1[O-] ZINC000817588617 1042119781 /nfs/dbraw/zinc/11/97/81/1042119781.db2.gz HYDXCBXHRFVFSI-NWDGAFQWSA-N 0 0 311.878 4.230 20 10 DICDRN CC[C@@H](CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000728857821 1042123682 /nfs/dbraw/zinc/12/36/82/1042123682.db2.gz XDUJBTPAMGZXEJ-SFHVURJKSA-N 0 0 324.468 4.295 20 10 DICDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@H]3CCC(F)(F)C3)cc12 ZINC000817761381 1042125442 /nfs/dbraw/zinc/12/54/42/1042125442.db2.gz LWSOASBFFZPODO-LBPRGKRZSA-N 0 0 307.340 4.136 20 10 DICDRN C[C@@H](Nc1cnn(C(C)(C)C)c1)c1cc2c(cc1O)CCCC2 ZINC000756854527 1042129687 /nfs/dbraw/zinc/12/96/87/1042129687.db2.gz FQGCVCYFMGUJNV-CYBMUJFWSA-N 0 0 313.445 4.396 20 10 DICDRN Cc1cc(C(=O)N(C(C)C)C2CC2)c(C)n1-c1ccccc1C ZINC000728866166 1042129741 /nfs/dbraw/zinc/12/97/41/1042129741.db2.gz YRXKHSOBMCJJHM-UHFFFAOYSA-N 0 0 310.441 4.416 20 10 DICDRN CC[C@@H]([NH2+]Cc1cccc2c1CCCN2)c1ccc(F)cc1[O-] ZINC000817974800 1042134790 /nfs/dbraw/zinc/13/47/90/1042134790.db2.gz FMSNQDBZMPIKQR-QGZVFWFLSA-N 0 0 314.404 4.130 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CC12CC2)c1cc(Br)cc(Cl)c1[O-] ZINC000818357233 1042150683 /nfs/dbraw/zinc/15/06/83/1042150683.db2.gz XDGLNCOKBZGMKB-RDDDGLTNSA-N 0 0 316.626 4.011 20 10 DICDRN CCCCCC[C@@H](CC)CN(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001167821436 1042188326 /nfs/dbraw/zinc/18/83/26/1042188326.db2.gz BIJCTSMCYOURLI-OAHLLOKOSA-N 0 0 321.461 4.095 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)C(C)(C)CC ZINC000820152869 1042207040 /nfs/dbraw/zinc/20/70/40/1042207040.db2.gz FNTQBFYHLBAGSY-CQSZACIVSA-N 0 0 306.450 4.139 20 10 DICDRN CC(C)(C)OC(=O)c1ccc(Nc2ccc(N)cc2)cc1F ZINC001159807641 1042210745 /nfs/dbraw/zinc/21/07/45/1042210745.db2.gz OMQCPHDRCTZMKM-UHFFFAOYSA-N 0 0 302.349 4.107 20 10 DICDRN Cc1cc([N+](=O)[O-])ccc1NCc1ccc(N2CCCC2)cc1 ZINC000319691590 1042211951 /nfs/dbraw/zinc/21/19/51/1042211951.db2.gz BSMTZQMCFCQNKV-UHFFFAOYSA-N 0 0 311.385 4.116 20 10 DICDRN CCCCCN(C(=O)c1cc2cc(O)c(O)cc2s1)C(C)C ZINC001136339461 1042215497 /nfs/dbraw/zinc/21/54/97/1042215497.db2.gz FZFNVHMSLGFFQR-UHFFFAOYSA-N 0 0 321.442 4.353 20 10 DICDRN CC(C)(C[NH2+]Cc1cc(Cl)cc(F)c1[O-])CC(F)(F)F ZINC000827979671 1042241928 /nfs/dbraw/zinc/24/19/28/1042241928.db2.gz CERSTKVUPYNCAM-UHFFFAOYSA-N 0 0 313.722 4.253 20 10 DICDRN CC(C)c1cccc(C(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC001136436649 1042248538 /nfs/dbraw/zinc/24/85/38/1042248538.db2.gz DZMRJYIKCNGOMJ-UHFFFAOYSA-N 0 0 322.452 4.122 20 10 DICDRN Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]Cc1cc(F)ccc1O ZINC000318411840 1042272853 /nfs/dbraw/zinc/27/28/53/1042272853.db2.gz LLRQFYJYSPMQRJ-OAHLLOKOSA-N 0 0 303.377 4.236 20 10 DICDRN CN(Cc1cncc(Cl)c1)c1ccc(-c2nccs2)cc1 ZINC001170989690 1042289641 /nfs/dbraw/zinc/28/96/41/1042289641.db2.gz BALFIVSPHKUSMN-UHFFFAOYSA-N 0 0 315.829 4.495 20 10 DICDRN CN(C[C@H]1CC(C)(C)CO1)c1ccc(-c2nccs2)cc1 ZINC001170991403 1042291808 /nfs/dbraw/zinc/29/18/08/1042291808.db2.gz VHVAJXFJJNMJTG-OAHLLOKOSA-N 0 0 302.443 4.061 20 10 DICDRN COC[C@@H](CN(C)c1ccc(-c2nccs2)cc1)C(C)C ZINC001170991179 1042292415 /nfs/dbraw/zinc/29/24/15/1042292415.db2.gz UEYJORMMLFKKNU-OAHLLOKOSA-N 0 0 304.459 4.165 20 10 DICDRN COC[C@H](CN(C)c1ccc(-c2nccs2)cc1)C(C)C ZINC001170991178 1042292509 /nfs/dbraw/zinc/29/25/09/1042292509.db2.gz UEYJORMMLFKKNU-HNNXBMFYSA-N 0 0 304.459 4.165 20 10 DICDRN Cc1cc(F)c(C(=O)Nc2cccc(N3CCCC3)c2)c(F)c1 ZINC000822667330 1042295986 /nfs/dbraw/zinc/29/59/86/1042295986.db2.gz SPULGVGWLQEZJL-UHFFFAOYSA-N 0 0 316.351 4.126 20 10 DICDRN C[C@@]1(C(=O)NCc2ccc(N3CCCCC3)cc2)CC=CCC1 ZINC000822818919 1042302289 /nfs/dbraw/zinc/30/22/89/1042302289.db2.gz KXBDLUNFWHPREZ-HXUWFJFHSA-N 0 0 312.457 4.040 20 10 DICDRN CCCc1ccccc1NCc1ccc(N2CCOCC2)cc1 ZINC000236871345 1042350900 /nfs/dbraw/zinc/35/09/00/1042350900.db2.gz UIIXGJNZCBZFRP-UHFFFAOYSA-N 0 0 310.441 4.088 20 10 DICDRN Cc1cc(F)c(Br)cc1NCc1ccccc1O ZINC000235861302 1042364996 /nfs/dbraw/zinc/36/49/96/1042364996.db2.gz IBMOWUNCQXZREE-UHFFFAOYSA-N 0 0 310.166 4.214 20 10 DICDRN CCc1cnccc1[C@H](C)[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000796857085 1042428995 /nfs/dbraw/zinc/42/89/95/1042428995.db2.gz YYUOKVAYZZSOEG-SJCJKPOMSA-N 0 0 302.393 4.291 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@H]2C2CCC2)cc1 ZINC001143554085 1042472008 /nfs/dbraw/zinc/47/20/08/1042472008.db2.gz WDRCNLMDUJGUEF-FQEVSTJZSA-N 0 0 322.452 4.499 20 10 DICDRN CN(C)c1ccccc1NCc1ccc(N2CCCCC2)cc1 ZINC000237063616 1042487791 /nfs/dbraw/zinc/48/77/91/1042487791.db2.gz VNLMPOGKVQDTOE-UHFFFAOYSA-N 0 0 309.457 4.355 20 10 DICDRN CCc1nc(C)c(C[NH2+][C@H](C)c2ccc3ccccc3c2O)o1 ZINC000291836630 1042491075 /nfs/dbraw/zinc/49/10/75/1042491075.db2.gz FQFLNRIJRXOLJH-GFCCVEGCSA-N 0 0 310.397 4.255 20 10 DICDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@H](C)CC(C)(C)C)c1 ZINC000728982191 1042500542 /nfs/dbraw/zinc/50/05/42/1042500542.db2.gz KDXAOTZOWPQBNZ-QWHCGFSZSA-N 0 0 307.434 4.040 20 10 DICDRN Nc1ccc(N(Cc2ccccc2)c2cc(N)ccc2F)cc1 ZINC001211837474 1042520669 /nfs/dbraw/zinc/52/06/69/1042520669.db2.gz NPKNPSWQLGGREM-UHFFFAOYSA-N 0 0 307.372 4.328 20 10 DICDRN CCN(C(=O)/C=C\c1cncc(F)c1)c1ccc2ccccc2c1 ZINC000729352413 1042523184 /nfs/dbraw/zinc/52/31/84/1042523184.db2.gz POUMMDYUDCQFBB-YFHOEESVSA-N 0 0 320.367 4.440 20 10 DICDRN CCOCc1ccc(C[NH2+][C@@H](CC)c2ccc(C)cc2O)cc1 ZINC000280065779 1042562917 /nfs/dbraw/zinc/56/29/17/1042562917.db2.gz KRBAABQNTBJEPN-IBGZPJMESA-N 0 0 313.441 4.478 20 10 DICDRN COc1cc(C)c(N[C@@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000319709606 1042681583 /nfs/dbraw/zinc/68/15/83/1042681583.db2.gz NWXOBISXIIBRKU-AWEZNQCLSA-N 0 0 314.429 4.251 20 10 DICDRN CN(C)c1ccc(CNc2ccccc2N2CCCCC2)cc1 ZINC000237134518 1042752431 /nfs/dbraw/zinc/75/24/31/1042752431.db2.gz BYJXGNJRBTXCFE-UHFFFAOYSA-N 0 0 309.457 4.355 20 10 DICDRN Cc1ccc2c(c1)SCCCN2C(=O)/C=C\c1cccnc1C ZINC001269978586 1042807840 /nfs/dbraw/zinc/80/78/40/1042807840.db2.gz HSCVDNMNRXMVES-CLFYSBASSA-N 0 0 324.449 4.241 20 10 DICDRN O=C1/C(=C/c2ccccc2)SC(=S)N1Cc1cccs1 ZINC000048402640 1042843601 /nfs/dbraw/zinc/84/36/01/1042843601.db2.gz XLYTYPHUQKJINU-LCYFTJDESA-N 0 0 317.460 4.150 20 10 DICDRN CCN(C(=O)/C=C\c1ccc(C)nc1)c1ccc(Cl)c(F)c1 ZINC001270362562 1042902424 /nfs/dbraw/zinc/90/24/24/1042902424.db2.gz QBWIQIDPBPWKAB-TWGQIWQCSA-N 0 0 318.779 4.249 20 10 DICDRN CC[C@H]([NH2+][C@H](C)c1cnn(CC)c1)c1cccc(Cl)c1[O-] ZINC000296090678 1042916323 /nfs/dbraw/zinc/91/63/23/1042916323.db2.gz YDOMWVBRJRQTJW-ABAIWWIYSA-N 0 0 307.825 4.064 20 10 DICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccccc1 ZINC000017743842 1042920546 /nfs/dbraw/zinc/92/05/46/1042920546.db2.gz PKVWFHNUIACCKF-UHFFFAOYSA-N 0 0 323.440 4.341 20 10 DICDRN COc1cc(C)cc(CNc2ccnn2C2CCCCC2)c1O ZINC000894388006 1042926129 /nfs/dbraw/zinc/92/61/29/1042926129.db2.gz CCPCBYCFRVSEID-UHFFFAOYSA-N 0 0 315.417 4.023 20 10 DICDRN COc1ccc(NC(=S)NNc2cccc3ccccc32)cc1 ZINC000140470074 1042929142 /nfs/dbraw/zinc/92/91/42/1042929142.db2.gz MYWMNFPLXUAOPF-UHFFFAOYSA-N 0 0 323.421 4.162 20 10 DICDRN CC[C@H](Nc1cnn(CC(C)C)c1C)c1ccc(C)cc1O ZINC000794814033 1043058990 /nfs/dbraw/zinc/05/89/90/1043058990.db2.gz RGZZBHJVKZNWCI-INIZCTEOSA-N 0 0 301.434 4.425 20 10 DICDRN CC[C@@H](Nc1ccc(N2CCCC2)nc1)c1ccc(C)cc1O ZINC000794815472 1043059360 /nfs/dbraw/zinc/05/93/60/1043059360.db2.gz VTORELJNMMHJOF-QGZVFWFLSA-N 0 0 311.429 4.259 20 10 DICDRN CC[C@H](Nc1ccc2ccc(=O)n(C)c2c1)c1ccc(C)cc1O ZINC000794827596 1043066540 /nfs/dbraw/zinc/06/65/40/1043066540.db2.gz LGEPAQOBJBTMIT-KRWDZBQOSA-N 0 0 322.408 4.116 20 10 DICDRN CCC[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])[C@H](O)c1ccccc1 ZINC000794834064 1043072168 /nfs/dbraw/zinc/07/21/68/1043072168.db2.gz WWDQFFALOKTPTN-XVGQJIODSA-N 0 0 317.404 4.084 20 10 DICDRN CCN(CC)[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000794835309 1043080737 /nfs/dbraw/zinc/08/07/37/1043080737.db2.gz ZQRFLRKYWFQNBM-MNOVXSKESA-N 0 0 319.276 4.080 20 10 DICDRN Cn1c(-c2ccccc2)cnc1SCc1coc(C2CC2)n1 ZINC000865348308 1043085517 /nfs/dbraw/zinc/08/55/17/1043085517.db2.gz LEOZVBVSCNWALH-UHFFFAOYSA-N 0 0 311.410 4.245 20 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YBRUBSJCWWHBIP-JTQLQIEISA-N 0 0 306.233 4.166 20 10 DICDRN CCCOCc1ccccc1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185062895 1043194642 /nfs/dbraw/zinc/19/46/42/1043194642.db2.gz WQBSUOAFYUSXBP-CQSZACIVSA-N 0 0 317.404 4.309 20 10 DICDRN CC(C)c1nc(CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])cs1 ZINC000185310187 1043197872 /nfs/dbraw/zinc/19/78/72/1043197872.db2.gz IWEJRJLDHNGGFH-NSHDSACASA-N 0 0 308.422 4.005 20 10 DICDRN Cc1ccc(O)c([C@H](C)N[C@@H](C)c2noc(-c3ccccc3)n2)c1 ZINC000185766713 1043206521 /nfs/dbraw/zinc/20/65/21/1043206521.db2.gz GGOONEFCLKRLKQ-KBPBESRZSA-N 0 0 323.396 4.162 20 10 DICDRN COCCCOc1ccccc1N[C@H](C)c1ccc(F)cc1O ZINC000186425096 1043224601 /nfs/dbraw/zinc/22/46/01/1043224601.db2.gz VZGDHUWJLQQUGF-CYBMUJFWSA-N 0 0 319.376 4.120 20 10 DICDRN C[C@H](N[C@@H](CF)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000866597230 1043229926 /nfs/dbraw/zinc/22/99/26/1043229926.db2.gz ZPRBWYLUBLYKAK-UGSOOPFHSA-N 0 0 304.384 4.253 20 10 DICDRN CCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)s1 ZINC000122663544 1043319973 /nfs/dbraw/zinc/31/99/73/1043319973.db2.gz SSYSBQDALQGDGK-ZDUSSCGKSA-N 0 0 317.502 4.239 20 10 DICDRN Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000122671635 1043320687 /nfs/dbraw/zinc/32/06/87/1043320687.db2.gz DGCUAZRVXABUFZ-ZDUSSCGKSA-N 0 0 304.384 4.190 20 10 DICDRN Cc1cc(N(C)C)ccc1C[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000122665866 1043321075 /nfs/dbraw/zinc/32/10/75/1043321075.db2.gz IVLUHIMRRSDMGR-FQEVSTJZSA-N 0 0 311.473 4.333 20 10 DICDRN CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)s1 ZINC000122663334 1043321207 /nfs/dbraw/zinc/32/12/07/1043321207.db2.gz SSYSBQDALQGDGK-CYBMUJFWSA-N 0 0 317.502 4.239 20 10 DICDRN Cc1cnc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)s1 ZINC000122840992 1043333821 /nfs/dbraw/zinc/33/38/21/1043333821.db2.gz JSKAMJLRLKEAGZ-HNNXBMFYSA-N 0 0 315.486 4.293 20 10 DICDRN CC[C@H](C)[C@H](C(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000871202418 1043366938 /nfs/dbraw/zinc/36/69/38/1043366938.db2.gz GXUNSURXCNMRCG-LIRRHRJNSA-N 0 0 309.409 4.064 20 10 DICDRN Cc1ccccc1-c1nc(CNc2ccccc2NC(C)C)no1 ZINC000871845759 1043405297 /nfs/dbraw/zinc/40/52/97/1043405297.db2.gz JCYUZISLMVFFNQ-UHFFFAOYSA-N 0 0 322.412 4.477 20 10 DICDRN Oc1ccccc1C[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000124161072 1043503946 /nfs/dbraw/zinc/50/39/46/1043503946.db2.gz IDRLYWRVEOQVGQ-UHFFFAOYSA-N 0 0 316.470 4.229 20 10 DICDRN COCCc1ccccc1NCc1cc(Cl)c(C)cc1O ZINC000825652017 1043517083 /nfs/dbraw/zinc/51/70/83/1043517083.db2.gz NVEGAPXBYXTAKG-UHFFFAOYSA-N 0 0 305.805 4.155 20 10 DICDRN CC(C)Oc1cccc([C@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])c1 ZINC000876934829 1043726582 /nfs/dbraw/zinc/72/65/82/1043726582.db2.gz JLFTZBYMKKPRCJ-LBPRGKRZSA-N 0 0 321.367 4.308 20 10 DICDRN COc1c(F)cc(F)cc1N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000777677824 1043735129 /nfs/dbraw/zinc/73/51/29/1043735129.db2.gz MSJQFEJKARWHHB-NSHDSACASA-N 0 0 306.356 4.213 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1cc(F)ccc1F ZINC000877054741 1043740367 /nfs/dbraw/zinc/74/03/67/1043740367.db2.gz KKBDOFPXYOWXSE-CQSZACIVSA-N 0 0 313.294 4.190 20 10 DICDRN C[C@H](CC(=O)N(C)c1ccc(N)cc1)Cc1ccc(Cl)cc1 ZINC000877076943 1043740566 /nfs/dbraw/zinc/74/05/66/1043740566.db2.gz XQECCRYOCKYUDO-ZDUSSCGKSA-N 0 0 316.832 4.154 20 10 DICDRN CN(C(=O)C(C)(C)Cc1cccc(Cl)c1)c1ccc(N)cc1 ZINC000877078066 1043740693 /nfs/dbraw/zinc/74/06/93/1043740693.db2.gz ZLYRFDRHUOWGDT-UHFFFAOYSA-N 0 0 316.832 4.154 20 10 DICDRN CCc1ccc(NCc2ccc(N3CCC(O)CC3)cc2)cc1C ZINC000877118978 1043745454 /nfs/dbraw/zinc/74/54/54/1043745454.db2.gz QWECYXCACGNRSL-UHFFFAOYSA-N 0 0 324.468 4.131 20 10 DICDRN C[C@@]1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCCS1 ZINC000126502540 1043758832 /nfs/dbraw/zinc/75/88/32/1043758832.db2.gz XCPMKMCJQCAXDE-ZDUSSCGKSA-N 0 0 306.258 4.074 20 10 DICDRN CSc1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])cc1 ZINC000877500196 1043767713 /nfs/dbraw/zinc/76/77/13/1043767713.db2.gz DQMYXXFBYMQPEF-SNVBAGLBSA-N 0 0 309.381 4.243 20 10 DICDRN CC(=O)N(c1ccc(NCc2c(C)cccc2O)cc1)[C@@H]1C[C@H]1C ZINC000877555702 1043774525 /nfs/dbraw/zinc/77/45/25/1043774525.db2.gz ZCNNPFWFKAGQCW-AUUYWEPGSA-N 0 0 324.424 4.074 20 10 DICDRN Cc1cccc(C(C)C)c1NC(=O)N1Cc2cccc(O)c2C1 ZINC000929193102 1043800245 /nfs/dbraw/zinc/80/02/45/1043800245.db2.gz RKSNPNBVFXZSDV-UHFFFAOYSA-N 0 0 310.397 4.372 20 10 DICDRN Oc1cc(Br)ccc1CNc1cccc(C2CC2)n1 ZINC000826012468 1043839043 /nfs/dbraw/zinc/83/90/43/1043839043.db2.gz OGXCEYMCFFKGLP-UHFFFAOYSA-N 0 0 319.202 4.039 20 10 DICDRN C[C@H](NCc1c(Cl)cncc1Cl)c1ccc(N(C)C)cc1 ZINC000878454737 1043897025 /nfs/dbraw/zinc/89/70/25/1043897025.db2.gz HJSOILLNTXPTFF-NSHDSACASA-N 0 0 324.255 4.305 20 10 DICDRN CN(Cc1coc(C2CC2)n1)c1ccc(-c2nccs2)cc1 ZINC000878706606 1043912986 /nfs/dbraw/zinc/91/29/86/1043912986.db2.gz IPLKOUPDPHTKPE-UHFFFAOYSA-N 0 0 311.410 4.312 20 10 DICDRN CN(Cc1cnc(C2CC2)o1)c1ccc(-c2nccs2)cc1 ZINC000930709874 1043957784 /nfs/dbraw/zinc/95/77/84/1043957784.db2.gz KVADPQNSSFNXCM-UHFFFAOYSA-N 0 0 311.410 4.312 20 10 DICDRN C[C@@H](NC(=O)CC(C)(C)CC(F)F)c1ccc(N(C)C)cc1 ZINC000879539503 1043971926 /nfs/dbraw/zinc/97/19/26/1043971926.db2.gz XQVROPPQRFKWPE-GFCCVEGCSA-N 0 0 312.404 4.001 20 10 DICDRN COc1ccc(CN[C@@H](Cc2ccccc2)c2ncco2)cc1C ZINC000930893744 1043972608 /nfs/dbraw/zinc/97/26/08/1043972608.db2.gz IRPCDSGNAFGILB-SFHVURJKSA-N 0 0 322.408 4.065 20 10 DICDRN Cc1ccccc1-c1noc([C@H](C)N[C@@H](C)c2ccccc2O)n1 ZINC000879651453 1043978489 /nfs/dbraw/zinc/97/84/89/1043978489.db2.gz WMNDTSNFDIBQBP-KBPBESRZSA-N 0 0 323.396 4.162 20 10 DICDRN Cc1cccc(-c2nnc([C@H](C)N[C@@H](C)c3ccccc3O)o2)c1 ZINC000879651772 1043978853 /nfs/dbraw/zinc/97/88/53/1043978853.db2.gz KDNXDDMRTJUPDB-KBPBESRZSA-N 0 0 323.396 4.162 20 10 DICDRN C[C@H](NC(=O)Nc1ccc(C2CC2)cc1F)c1ccccc1O ZINC000880751693 1044072201 /nfs/dbraw/zinc/07/22/01/1044072201.db2.gz BOVBPACHRAOJDS-NSHDSACASA-N 0 0 314.360 4.291 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000896893318 1044147799 /nfs/dbraw/zinc/14/77/99/1044147799.db2.gz XPTCSJWEHJANRM-UKRRQHHQSA-N 0 0 323.770 4.184 20 10 DICDRN CC(C)Cn1ncc(NCc2ccc(N(C)C)cc2)c1C(F)F ZINC000778111507 1044154068 /nfs/dbraw/zinc/15/40/68/1044154068.db2.gz YRFJTAHUJZXXRY-UHFFFAOYSA-N 0 0 322.403 4.155 20 10 DICDRN C/C(=C\c1cccc(Cl)c1)C(=O)N(C)Cc1ccccc1O ZINC000129605741 1044165829 /nfs/dbraw/zinc/16/58/29/1044165829.db2.gz QAVVZRMDXPOQLH-JLHYYAGUSA-N 0 0 315.800 4.108 20 10 DICDRN CCc1ccc(NC(=O)NCCCSc2nccs2)cc1 ZINC000129875901 1044185331 /nfs/dbraw/zinc/18/53/31/1044185331.db2.gz ZMNIKYZQDLLRSG-UHFFFAOYSA-N 0 0 321.471 4.009 20 10 DICDRN COc1ccc(C2CC2)cc1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000883265761 1044253495 /nfs/dbraw/zinc/25/34/95/1044253495.db2.gz KEEOPRRLWLZRDB-GFCCVEGCSA-N 0 0 315.388 4.268 20 10 DICDRN Cc1cc(C(=O)N(C)c2ccc(C)cc2)c(C)n1-c1ccccn1 ZINC000101527074 1044260692 /nfs/dbraw/zinc/26/06/92/1044260692.db2.gz YBVJGNPLQLYEGQ-UHFFFAOYSA-N 0 0 319.408 4.074 20 10 DICDRN COc1ccc(O)c(CNc2cccc(C)c2Br)c1 ZINC000131473821 1044262131 /nfs/dbraw/zinc/26/21/31/1044262131.db2.gz BBKNBXDEXIIGNO-UHFFFAOYSA-N 0 0 322.202 4.084 20 10 DICDRN CCC(=O)N(C)c1ccc(N[C@@H](C)c2ccc(C)cc2O)cc1 ZINC000883314365 1044267114 /nfs/dbraw/zinc/26/71/14/1044267114.db2.gz DBOYMLLYNIIWFP-AWEZNQCLSA-N 0 0 312.413 4.247 20 10 DICDRN CCC(=O)N(C)c1ccc(N[C@@H](CC)c2ccccc2O)cc1 ZINC000883314286 1044267518 /nfs/dbraw/zinc/26/75/18/1044267518.db2.gz AIXHGOAPCQVFPD-KRWDZBQOSA-N 0 0 312.413 4.328 20 10 DICDRN CCC(=O)N(C)c1ccc(N[C@@H](C)c2ccc(F)cc2O)cc1 ZINC000883314459 1044268361 /nfs/dbraw/zinc/26/83/61/1044268361.db2.gz GYNVHMCWKWNTBI-LBPRGKRZSA-N 0 0 316.376 4.077 20 10 DICDRN CC[C@H]([NH2+]C1CCC2(COC2)CC1)c1cccc(Cl)c1[O-] ZINC000883383429 1044296894 /nfs/dbraw/zinc/29/68/94/1044296894.db2.gz YKWPCOWSQPXIFD-HNNXBMFYSA-N 0 0 309.837 4.046 20 10 DICDRN Cc1ccc(O)c([C@@H](C)Nc2cccc(N3CCCC3=O)c2)c1 ZINC000192744660 1044306618 /nfs/dbraw/zinc/30/66/18/1044306618.db2.gz MKQIDKIVYPRPGP-CQSZACIVSA-N 0 0 310.397 4.001 20 10 DICDRN CC(C)(C)c1cnc(COc2ccc(N3CCCC3)cc2)o1 ZINC000132036768 1044313224 /nfs/dbraw/zinc/31/32/24/1044313224.db2.gz VIZNKZAYZDOLKD-UHFFFAOYSA-N 0 0 300.402 4.151 20 10 DICDRN C[C@@H](NCc1nc(C(C)(C)C)cs1)c1ccc(N(C)C)cc1 ZINC000133496974 1044402138 /nfs/dbraw/zinc/40/21/38/1044402138.db2.gz QEDLPFTXKXHXIX-CYBMUJFWSA-N 0 0 317.502 4.357 20 10 DICDRN C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000840873361 1044408893 /nfs/dbraw/zinc/40/88/93/1044408893.db2.gz TXRXKQLWWLWRJY-VPOLOUISSA-N 0 0 318.244 4.163 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(Cl)c1 ZINC000302805525 1044444917 /nfs/dbraw/zinc/44/49/17/1044444917.db2.gz BUZNQOUKESXESB-UHFFFAOYSA-N 0 0 316.832 4.068 20 10 DICDRN C[C@@H]([NH2+]Cc1cc(Br)ccc1F)c1ccccc1O ZINC000041069229 1044463139 /nfs/dbraw/zinc/46/31/39/1044463139.db2.gz LSMPNUQZRANIBG-SNVBAGLBSA-N 0 0 324.193 4.145 20 10 DICDRN C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1Cl ZINC000759578301 1044475378 /nfs/dbraw/zinc/47/53/78/1044475378.db2.gz HBTJSARIDVALPX-MXMFLMJRSA-N 0 0 318.756 4.069 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(C)cc1C ZINC000118787125 1044485862 /nfs/dbraw/zinc/48/58/62/1044485862.db2.gz RVKACCCQBCKEGP-UHFFFAOYSA-N 0 0 312.413 4.453 20 10 DICDRN C[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)c1cccc(Cl)c1 ZINC000759598776 1044521100 /nfs/dbraw/zinc/52/11/00/1044521100.db2.gz YIGBTRBBRQJRQW-IOCXFXADSA-N 0 0 318.756 4.069 20 10 DICDRN Cc1nnc(-c2cccc(NCc3ccc(N(C)C)cc3C)c2)o1 ZINC000840928961 1044536800 /nfs/dbraw/zinc/53/68/00/1044536800.db2.gz CPJVFRWCKOVXSC-UHFFFAOYSA-N 0 0 322.412 4.032 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCCc2occc21 ZINC000021011686 1044563282 /nfs/dbraw/zinc/56/32/82/1044563282.db2.gz GHOTZNCVMKBOHS-ZDUSSCGKSA-N 0 0 312.196 4.459 20 10 DICDRN C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)n1)c1ccc(N(C)C)cc1 ZINC000296535911 1044624673 /nfs/dbraw/zinc/62/46/73/1044624673.db2.gz QSWASSPBYXAASP-GFCCVEGCSA-N 0 0 323.362 4.017 20 10 DICDRN Oc1cc2c(cc1CNc1cc(Cl)cc(Cl)c1)OCO2 ZINC000042879180 1044638916 /nfs/dbraw/zinc/63/89/16/1044638916.db2.gz HKJQNBBRENOOHJ-UHFFFAOYSA-N 0 0 312.152 4.040 20 10 DICDRN COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886493420 1044646839 /nfs/dbraw/zinc/64/68/39/1044646839.db2.gz KJNMGCHAJPNCIN-OLZOCXBDSA-N 0 0 303.377 4.260 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1ccccc1OC ZINC000886501210 1044648118 /nfs/dbraw/zinc/64/81/18/1044648118.db2.gz AXANDJJLVZKYGT-SWLSCSKDSA-N 0 0 303.377 4.342 20 10 DICDRN C[C@H]([NH2+][C@@H]1CCSc2ccccc21)c1c([O-])cccc1F ZINC000886502652 1044648157 /nfs/dbraw/zinc/64/81/57/1044648157.db2.gz JGRNVZGLFWCYMF-SMDDNHRTSA-N 0 0 303.402 4.419 20 10 DICDRN Cc1ccc(NC(=O)C(C)C)cc1N[C@H]1CCc2cccc(O)c21 ZINC000296897514 1044651495 /nfs/dbraw/zinc/65/14/95/1044651495.db2.gz OUXAPJKCJTWYLU-INIZCTEOSA-N 0 0 324.424 4.395 20 10 DICDRN CC(C)c1nc(CC[NH2+][C@@H](C)c2c([O-])cccc2F)cs1 ZINC000886520389 1044655430 /nfs/dbraw/zinc/65/54/30/1044655430.db2.gz CVMQEFYIJUUJJR-NSHDSACASA-N 0 0 308.422 4.005 20 10 DICDRN CCC(CC)c1cc(CN[C@@H](C)c2c(O)cccc2F)on1 ZINC000886533215 1044656521 /nfs/dbraw/zinc/65/65/21/1044656521.db2.gz WYXFCXJYVQAPBG-NSHDSACASA-N 0 0 306.381 4.274 20 10 DICDRN COc1ccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)cc1Cl ZINC000886551812 1044658613 /nfs/dbraw/zinc/65/86/13/1044658613.db2.gz OYFVQIHOTIPPEY-JTQLQIEISA-N 0 0 309.768 4.044 20 10 DICDRN C[C@H]([NH2+][C@H]1CCCOc2c(F)cccc21)c1c([O-])cccc1F ZINC000886586391 1044663832 /nfs/dbraw/zinc/66/38/32/1044663832.db2.gz QNAPVLHMPIGRBX-NHYWBVRUSA-N 0 0 319.351 4.235 20 10 DICDRN COC[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1ccc(Cl)cc1 ZINC000886603731 1044668988 /nfs/dbraw/zinc/66/89/88/1044668988.db2.gz UWBPTCSEMZNHBS-XHDPSFHLSA-N 0 0 323.795 4.223 20 10 DICDRN CC[C@H]([NH2+]Cc1cc(C2CC2)no1)c1cccc(Cl)c1[O-] ZINC000886684534 1044678915 /nfs/dbraw/zinc/67/89/15/1044678915.db2.gz NFXKCZHUKIPJND-AWEZNQCLSA-N 0 0 306.793 4.152 20 10 DICDRN CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(Cl)cc(Cl)c1[O-] ZINC000367896822 1044757588 /nfs/dbraw/zinc/75/75/88/1044757588.db2.gz PFHYVQJNQSTWKN-PCDDKUFXSA-N 0 0 316.228 4.060 20 10 DICDRN Cc1cc(F)ncc1N(c1ccc(N)cc1)c1ccc(N)cc1 ZINC001212817920 1044842202 /nfs/dbraw/zinc/84/22/02/1044842202.db2.gz VMCAEYIHMVXPEJ-UHFFFAOYSA-N 0 0 308.360 4.163 20 10 DICDRN Cc1cccc(C)c1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000133481643 1044939009 /nfs/dbraw/zinc/93/90/09/1044939009.db2.gz RQVYRZIZJJRRFR-UHFFFAOYSA-N 0 0 321.424 4.001 20 10 DICDRN CCOc1ccc(OC)cc1N[C@H](CC)c1ccccc1O ZINC000157750953 1044942576 /nfs/dbraw/zinc/94/25/76/1044942576.db2.gz CIONEEYJBAQRHS-OAHLLOKOSA-N 0 0 301.386 4.363 20 10 DICDRN CN(Cc1ccccc1O)C(=O)CCC(C)(C)c1ccccc1 ZINC000159083026 1045104780 /nfs/dbraw/zinc/10/47/80/1045104780.db2.gz UDMOYUFBVKDIKN-UHFFFAOYSA-N 0 0 311.425 4.109 20 10 DICDRN CC[N@H+](Cc1cc(F)ccc1O)[C@H](C)c1cccc(OC)c1 ZINC000778996420 1045110705 /nfs/dbraw/zinc/11/07/05/1045110705.db2.gz OINZXLWJYLIJOQ-CYBMUJFWSA-N 0 0 303.377 4.123 20 10 DICDRN Cc1cccc(C)c1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001276283647 1045133815 /nfs/dbraw/zinc/13/38/15/1045133815.db2.gz KFSPSOMPPFZCON-KRWDZBQOSA-N 0 0 324.468 4.039 20 10 DICDRN Oc1cccc(Cl)c1CNc1nc2cc(Cl)ccc2o1 ZINC000777505126 1045159435 /nfs/dbraw/zinc/15/94/35/1045159435.db2.gz JIWYENSGMUWMKQ-UHFFFAOYSA-N 0 0 309.152 4.452 20 10 DICDRN CCN(C)c1ccc([C@H](C)Nc2cc(OC)cc(OC)c2)cc1 ZINC000777545746 1045226610 /nfs/dbraw/zinc/22/66/10/1045226610.db2.gz VZUBFEJPSHOMKC-AWEZNQCLSA-N 0 0 314.429 4.333 20 10 DICDRN Cc1cc([C@@H]([NH2+]Cc2cc(F)ccc2O)C2CC2)ccc1F ZINC000779101325 1045277953 /nfs/dbraw/zinc/27/79/53/1045277953.db2.gz YKMNNXZROZPXJE-SFHVURJKSA-N 0 0 303.352 4.220 20 10 DICDRN C[C@H]([NH2+][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12)c1ccc(F)cc1[O-] ZINC000527946319 1045284696 /nfs/dbraw/zinc/28/46/96/1045284696.db2.gz TWVUIKUCWCBEOA-KAFUJRNTSA-N 0 0 317.791 4.174 20 10 DICDRN C[C@H]([NH2+][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)c1ccc(F)cc1[O-] ZINC000527946312 1045284896 /nfs/dbraw/zinc/28/48/96/1045284896.db2.gz TWVUIKUCWCBEOA-DOVOCXTESA-N 0 0 317.791 4.174 20 10 DICDRN Cc1ncccc1C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000527985733 1045294007 /nfs/dbraw/zinc/29/40/07/1045294007.db2.gz IKDVYVASXZOMOR-JTQLQIEISA-N 0 0 311.212 4.253 20 10 DICDRN Cc1[nH]c2ccccc2c1C1=CCN(c2cccc(C)n2)CC1 ZINC000579174141 1045298704 /nfs/dbraw/zinc/29/87/04/1045298704.db2.gz PBZPADLFSNOXTR-UHFFFAOYSA-N 0 0 303.409 4.473 20 10 DICDRN CCSCc1ccc(NCc2cccc(OC)c2O)cc1 ZINC000076272201 1045346314 /nfs/dbraw/zinc/34/63/14/1045346314.db2.gz DVMKQGHXQQFDGA-UHFFFAOYSA-N 0 0 303.427 4.266 20 10 DICDRN Oc1ccc2c(c1CNc1ncc(Cl)cc1F)CCCC2 ZINC000750791799 1045556805 /nfs/dbraw/zinc/55/68/05/1045556805.db2.gz VCXLAZWGRHRZAX-UHFFFAOYSA-N 0 0 306.768 4.071 20 10 DICDRN Cn1c2ccc(Cl)cc2nc1/C(Cl)=C/c1cccnc1 ZINC000077564139 1045560079 /nfs/dbraw/zinc/56/00/79/1045560079.db2.gz AANPMAQLVZRSOX-GHXNOFRVSA-N 0 0 304.180 4.359 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C ZINC000750859902 1045563368 /nfs/dbraw/zinc/56/33/68/1045563368.db2.gz SWNDIYANLUYIIS-FUHWJXTLSA-N 0 0 315.457 4.369 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(Cl)cc1 ZINC000750862087 1045564290 /nfs/dbraw/zinc/56/42/90/1045564290.db2.gz QCCLFJPTLLTCON-UHFFFAOYSA-N 0 0 303.789 4.098 20 10 DICDRN COC1CC(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC001124108659 1045596422 /nfs/dbraw/zinc/59/64/22/1045596422.db2.gz NLZWJEQXGPPSGJ-UHFFFAOYSA-N 0 0 309.369 4.466 20 10 DICDRN CCC/C(C)=C/C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000751299560 1045598876 /nfs/dbraw/zinc/59/88/76/1045598876.db2.gz NHDKQTOYOYBHEP-BUHFOSPRSA-N 0 0 320.396 4.081 20 10 DICDRN CCN(CC(C)C)C(=O)c1sccc1-n1c(C)ccc1C ZINC000751324299 1045600836 /nfs/dbraw/zinc/60/08/36/1045600836.db2.gz DYHSRBZMYMRKDP-UHFFFAOYSA-N 0 0 304.459 4.274 20 10 DICDRN COc1cccc(O)c1CNc1ccc(COC(C)(C)C)cc1 ZINC000752264467 1045669981 /nfs/dbraw/zinc/66/99/81/1045669981.db2.gz DUTQTOFSTYBKTJ-UHFFFAOYSA-N 0 0 315.413 4.328 20 10 DICDRN COc1c(F)cc(NCc2c(O)cc(C)cc2Cl)cc1F ZINC001461084401 1045681973 /nfs/dbraw/zinc/68/19/73/1045681973.db2.gz AAFBUFFMYYJWSA-UHFFFAOYSA-N 0 0 313.731 4.253 20 10 DICDRN O=C(/C=C/c1cncc(F)c1)N(CC1CCC1)c1ccccc1 ZINC000752487489 1045682784 /nfs/dbraw/zinc/68/27/84/1045682784.db2.gz GWEQXURFLWBVDS-MDZDMXLPSA-N 0 0 310.372 4.067 20 10 DICDRN Cc1cc(CC(=O)NCC2CCCCC2)c(C)n1-c1ccccc1 ZINC001124426759 1045689864 /nfs/dbraw/zinc/68/98/64/1045689864.db2.gz VTMGSPBKSMSRTQ-UHFFFAOYSA-N 0 0 324.468 4.333 20 10 DICDRN CC[C@H](C)CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000191412322 1045697651 /nfs/dbraw/zinc/69/76/51/1045697651.db2.gz VZPVJKKYKWMQQH-INIZCTEOSA-N 0 0 302.462 4.072 20 10 DICDRN CO[C@@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000779432615 1045717538 /nfs/dbraw/zinc/71/75/38/1045717538.db2.gz XEKNXUHZKCRHIT-PIGZYNQJSA-N 0 0 323.795 4.051 20 10 DICDRN CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000779432613 1045718219 /nfs/dbraw/zinc/71/82/19/1045718219.db2.gz XEKNXUHZKCRHIT-DIFFPNOSSA-N 0 0 323.795 4.051 20 10 DICDRN Cc1cc(C(=O)Nc2cnccc2C)c(C)n1-c1ccc(F)cc1 ZINC000078505370 1045727857 /nfs/dbraw/zinc/72/78/57/1045727857.db2.gz OQTLETPKQZLTCN-UHFFFAOYSA-N 0 0 323.371 4.189 20 10 DICDRN COc1ccc2cc([C@H](C)C(=O)Nc3ccc(N)cc3)ccc2c1 ZINC000078528967 1045731990 /nfs/dbraw/zinc/73/19/90/1045731990.db2.gz GNNPQEIHLLYOBL-ZDUSSCGKSA-N 0 0 320.392 4.173 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1ccccc1Cl ZINC000801549375 1045735648 /nfs/dbraw/zinc/73/56/48/1045735648.db2.gz LSMYAHIIKIIYNU-UHFFFAOYSA-N 0 0 317.816 4.488 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@]1(C)C(C)C ZINC000801549741 1045736686 /nfs/dbraw/zinc/73/66/86/1045736686.db2.gz YNHLLFBQJBYCAH-QFBILLFUSA-N 0 0 303.446 4.203 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@@]1(C)C(C)C ZINC000801549739 1045737805 /nfs/dbraw/zinc/73/78/05/1045737805.db2.gz YNHLLFBQJBYCAH-APWZRJJASA-N 0 0 303.446 4.203 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)C[C@H]1C=CCCC1 ZINC000801552111 1045737820 /nfs/dbraw/zinc/73/78/20/1045737820.db2.gz YVHLXXUWBDWEKQ-INIZCTEOSA-N 0 0 301.430 4.267 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)C[C@H]1CCC[C@H]1C ZINC000801549959 1045738057 /nfs/dbraw/zinc/73/80/57/1045738057.db2.gz JAPCHIHOCWQWAB-HZPDHXFCSA-N 0 0 303.446 4.347 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)Cc1ccc(C)cc1 ZINC000801550398 1045738174 /nfs/dbraw/zinc/73/81/74/1045738174.db2.gz YVJRYGCRZRGPDA-UHFFFAOYSA-N 0 0 311.425 4.072 20 10 DICDRN CCCCN(Cc1ncc(Cl)s1)Cc1ccccc1O ZINC000801595312 1045750444 /nfs/dbraw/zinc/75/04/44/1045750444.db2.gz LOHFEEYQMJEBLJ-UHFFFAOYSA-N 0 0 310.850 4.304 20 10 DICDRN FC(F)CSc1ncc(-c2ccccc2)n1CC(F)(F)F ZINC000078674586 1045751330 /nfs/dbraw/zinc/75/13/30/1045751330.db2.gz FCLSFZPMKRIOFH-UHFFFAOYSA-N 0 0 322.302 4.470 20 10 DICDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000779473004 1045753681 /nfs/dbraw/zinc/75/36/81/1045753681.db2.gz DQNDVTXRSLAHEV-QHHAFSJGSA-N 0 0 324.163 4.057 20 10 DICDRN CC(C)CCN(CCC(C)C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779474547 1045753762 /nfs/dbraw/zinc/75/37/62/1045753762.db2.gz AHEZPXBBLYVVPP-VURMDHGXSA-N 0 0 319.445 4.032 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)/C=C2/CC[C@@H](C)C2)cc1 ZINC000753580356 1045766455 /nfs/dbraw/zinc/76/64/55/1045766455.db2.gz UMCBBQOJSHNAPB-VVZNPABPSA-N 0 0 314.473 4.238 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)/C=C2\CC[C@H](C)C2)cc1 ZINC000753580355 1045766714 /nfs/dbraw/zinc/76/67/14/1045766714.db2.gz UMCBBQOJSHNAPB-KXGFGANYSA-N 0 0 314.473 4.238 20 10 DICDRN Cc1ccc(/C=C/CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000753577625 1045767178 /nfs/dbraw/zinc/76/71/78/1045767178.db2.gz BJNIZEADEFAEIV-AATRIKPKSA-N 0 0 322.452 4.123 20 10 DICDRN CC[C@H]1CCC[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001124905325 1045796659 /nfs/dbraw/zinc/79/66/59/1045796659.db2.gz GASIQSJWJZEHJE-LPHOPBHVSA-N 0 0 314.473 4.070 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCC[C@H](C)C2)cc1 ZINC001124944290 1045811895 /nfs/dbraw/zinc/81/18/95/1045811895.db2.gz UVWMRUKXZQVFIK-KBXCAEBGSA-N 0 0 310.441 4.403 20 10 DICDRN CCCC[C@H](CCC)CNC(=O)N(C)Cc1ccccc1O ZINC000753947899 1045821283 /nfs/dbraw/zinc/82/12/83/1045821283.db2.gz SPOLQWXGFMJODB-HNNXBMFYSA-N 0 0 306.450 4.140 20 10 DICDRN Cc1ccc(/C=C/C(=O)N(C)c2ccc3ccccc3c2)cn1 ZINC000754024592 1045833742 /nfs/dbraw/zinc/83/37/42/1045833742.db2.gz GHXNDJBPGFNDDB-FMIVXFBMSA-N 0 0 302.377 4.219 20 10 DICDRN CCN(C(=O)/C=C/c1ccc(C)nc1)c1ccc(Cl)cc1 ZINC000754069955 1045842504 /nfs/dbraw/zinc/84/25/04/1045842504.db2.gz GXFADWSWQYGZEJ-IZZDOVSWSA-N 0 0 300.789 4.110 20 10 DICDRN C[C@H](Nc1ccc2scnc2c1)c1cc(F)cc(F)c1O ZINC000754123470 1045851013 /nfs/dbraw/zinc/85/10/13/1045851013.db2.gz LBDAJRPOVVQADX-QMMMGPOBSA-N 0 0 306.337 4.453 20 10 DICDRN Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N(C)Cc1ccccc1O ZINC000754181012 1045859280 /nfs/dbraw/zinc/85/92/80/1045859280.db2.gz HVMQNBPAPMGAMN-NVXWUHKLSA-N 0 0 323.436 4.340 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)c2ccccc2C)cc1 ZINC001125235661 1045878746 /nfs/dbraw/zinc/87/87/46/1045878746.db2.gz SVZBOXYVAZGTIM-KRWDZBQOSA-N 0 0 324.468 4.261 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CC=CCC1 ZINC000802043195 1045879202 /nfs/dbraw/zinc/87/92/02/1045879202.db2.gz SPILSMMSGSPYBP-MRXNPFEDSA-N 0 0 316.445 4.060 20 10 DICDRN Cc1ccc(/C=C/C(=O)N2C[C@@H](C)CSc3ccccc32)cn1 ZINC000754386079 1045882284 /nfs/dbraw/zinc/88/22/84/1045882284.db2.gz UEIRVWYYMSXGET-ATWMFIQVSA-N 0 0 324.449 4.178 20 10 DICDRN Cc1ccc(/C=C\C(=O)N2C[C@@H](C)CSc3ccccc32)cn1 ZINC000754386082 1045882698 /nfs/dbraw/zinc/88/26/98/1045882698.db2.gz UEIRVWYYMSXGET-CFYYFVFUSA-N 0 0 324.449 4.178 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCC(C)(C)C1 ZINC001137597554 1045903407 /nfs/dbraw/zinc/90/34/07/1045903407.db2.gz ZLYQMQVWMXPHLI-AWEZNQCLSA-N 0 0 316.470 4.464 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)NCC1(C)CCCC1 ZINC000802132555 1045905007 /nfs/dbraw/zinc/90/50/07/1045905007.db2.gz HQBJERRKLAAQPE-UHFFFAOYSA-N 0 0 318.461 4.284 20 10 DICDRN CCCOc1cccc(N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000192758786 1045930395 /nfs/dbraw/zinc/93/03/95/1045930395.db2.gz FCFFDFBAYOSGFV-ZDUSSCGKSA-N 0 0 301.386 4.363 20 10 DICDRN FC(F)(F)c1ccc(NCc2ccc(N3CCCC3)cc2)nc1 ZINC000192809245 1045937267 /nfs/dbraw/zinc/93/72/67/1045937267.db2.gz POVGIPWCWLFHDP-UHFFFAOYSA-N 0 0 321.346 4.313 20 10 DICDRN C[C@@H](CCC(C)(C)C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000755051658 1045949346 /nfs/dbraw/zinc/94/93/46/1045949346.db2.gz ZZKJPKRSGFGFML-INIZCTEOSA-N 0 0 316.489 4.365 20 10 DICDRN CC(C)Oc1ccc(N(C)Cc2nnc(C(C)C)s2)cc1 ZINC000829234468 1045962973 /nfs/dbraw/zinc/96/29/73/1045962973.db2.gz PGNHEJMSZZGBBZ-UHFFFAOYSA-N 0 0 305.447 4.085 20 10 DICDRN [O-]c1cccc(F)c1C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC001137837797 1045980579 /nfs/dbraw/zinc/98/05/79/1045980579.db2.gz VFLBOGXOMCRBFR-UHFFFAOYSA-N 0 0 303.352 4.050 20 10 DICDRN COc1cccc([C@@H]2CCCC[N@@H+]2Cc2c([O-])cccc2F)c1 ZINC001137837306 1045980815 /nfs/dbraw/zinc/98/08/15/1045980815.db2.gz ANFIUOMGKWDDMV-SFHVURJKSA-N 0 0 315.388 4.267 20 10 DICDRN [O-]c1cccc(F)c1C[NH+]1CCC(Sc2ccccc2)CC1 ZINC001137840315 1045981142 /nfs/dbraw/zinc/98/11/42/1045981142.db2.gz XEPHRGUQLGYMLY-UHFFFAOYSA-N 0 0 317.429 4.288 20 10 DICDRN CCCCN(Cc1csc(Cl)n1)Cc1ccccc1O ZINC000829516347 1045983627 /nfs/dbraw/zinc/98/36/27/1045983627.db2.gz VBAXMJFDRNJFBE-UHFFFAOYSA-N 0 0 310.850 4.304 20 10 DICDRN Cc1sc(-c2ccc(N(C)C)cc2)nc1C1CCOCC1 ZINC000829606235 1045992049 /nfs/dbraw/zinc/99/20/49/1045992049.db2.gz FYTVPGMCIGHXJT-UHFFFAOYSA-N 0 0 302.443 4.079 20 10 DICDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)CCC(C)(C)C)c1 ZINC000755532845 1045994279 /nfs/dbraw/zinc/99/42/79/1045994279.db2.gz UKXOQLWGSVIDPR-OLZOCXBDSA-N 0 0 307.434 4.040 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(F)c(F)c1F ZINC001137941254 1046028806 /nfs/dbraw/zinc/02/88/06/1046028806.db2.gz INLKVKNRYMNKSV-UHFFFAOYSA-N 0 0 322.374 4.192 20 10 DICDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000830141524 1046044285 /nfs/dbraw/zinc/04/42/85/1046044285.db2.gz VVOCCCDRVOKFKC-PKOBYXMFSA-N 0 0 323.436 4.010 20 10 DICDRN CC[C@H](C)[C@@H](C)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000779753831 1046056872 /nfs/dbraw/zinc/05/68/72/1046056872.db2.gz FVNVWPUVSFRFPB-JKSUJKDBSA-N 0 0 304.478 4.173 20 10 DICDRN CCC(CC)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756344939 1046066334 /nfs/dbraw/zinc/06/63/34/1046066334.db2.gz VERJUMHQFYCPTB-MRVPVSSYSA-N 0 0 304.203 4.133 20 10 DICDRN C[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1cc(F)cc(F)c1[O-] ZINC000756345886 1046067270 /nfs/dbraw/zinc/06/72/70/1046067270.db2.gz ZNXHDLMKDILTIY-LLVKDONJSA-N 0 0 316.351 4.045 20 10 DICDRN C[C@H]([NH2+]CCSCc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756355841 1046069171 /nfs/dbraw/zinc/06/91/71/1046069171.db2.gz SZBHCJJIVIZUEL-LBPRGKRZSA-N 0 0 323.408 4.254 20 10 DICDRN COc1ccc(O)c([C@@H](C)Nc2ccc(Cl)c(OC)c2)c1 ZINC000193850896 1046073221 /nfs/dbraw/zinc/07/32/21/1046073221.db2.gz YJMVKLYKAVFGIQ-SNVBAGLBSA-N 0 0 307.777 4.236 20 10 DICDRN CCOCc1ccccc1C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756379541 1046074907 /nfs/dbraw/zinc/07/49/07/1046074907.db2.gz OTDBJBZOFIZESK-LBPRGKRZSA-N 0 0 321.367 4.058 20 10 DICDRN C[C@@H]([NH2+]CC1(c2ccccc2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756396242 1046075637 /nfs/dbraw/zinc/07/56/37/1046075637.db2.gz IRSBCKZEZVMPJY-GFCCVEGCSA-N 0 0 303.352 4.053 20 10 DICDRN Cc1cccc(OC[C@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756445829 1046080391 /nfs/dbraw/zinc/08/03/91/1046080391.db2.gz PRIPZZDUAALULJ-STQMWFEESA-N 0 0 321.367 4.097 20 10 DICDRN Cc1cccc(OC[C@@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756445800 1046081606 /nfs/dbraw/zinc/08/16/06/1046081606.db2.gz PRIPZZDUAALULJ-CHWSQXEVSA-N 0 0 321.367 4.097 20 10 DICDRN CC(C)Oc1cccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756432872 1046081670 /nfs/dbraw/zinc/08/16/70/1046081670.db2.gz SKLIVPIPUBRYRQ-GFCCVEGCSA-N 0 0 321.367 4.308 20 10 DICDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccccc2C(C)C)c1 ZINC000830541027 1046082543 /nfs/dbraw/zinc/08/25/43/1046082543.db2.gz RAJPRQSNMTXPAD-ZDUSSCGKSA-N 0 0 313.397 4.015 20 10 DICDRN C[C@H]([NH2+]CCCCN(C)c1ccccc1)c1ccc(F)cc1[O-] ZINC000756442155 1046082562 /nfs/dbraw/zinc/08/25/62/1046082562.db2.gz ADFSJOBRYRJXOH-HNNXBMFYSA-N 0 0 316.420 4.099 20 10 DICDRN CC(C)Oc1ccccc1C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756441602 1046082694 /nfs/dbraw/zinc/08/26/94/1046082694.db2.gz MAHVAYGFLWUBON-GFCCVEGCSA-N 0 0 321.367 4.308 20 10 DICDRN CCOc1cccc([C@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756496044 1046091312 /nfs/dbraw/zinc/09/13/12/1046091312.db2.gz MLQHBCGCMDTGKG-NWDGAFQWSA-N 0 0 321.367 4.481 20 10 DICDRN C[C@H]([NH2+]Cc1cccc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756497417 1046092336 /nfs/dbraw/zinc/09/23/36/1046092336.db2.gz UKPZLDJVPOPFHC-ZDUSSCGKSA-N 0 0 322.364 4.304 20 10 DICDRN COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756498617 1046092942 /nfs/dbraw/zinc/09/29/42/1046092942.db2.gz YGKMASVPTDPEGR-MNOVXSKESA-N 0 0 307.340 4.091 20 10 DICDRN C[C@@H]([NH2+][C@@H]1CCCOc2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000756515895 1046094156 /nfs/dbraw/zinc/09/41/56/1046094156.db2.gz GQKXYCNGBMLQLW-BDJLRTHQSA-N 0 0 319.351 4.235 20 10 DICDRN Cc1ccc2c(CC[NH2+][C@@H](C)c3ccc(F)cc3[O-])c[nH]c2c1 ZINC000756516407 1046094389 /nfs/dbraw/zinc/09/43/89/1046094389.db2.gz KWUFIDASIZTUQL-ZDUSSCGKSA-N 0 0 312.388 4.214 20 10 DICDRN CC[C@H](C)[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000779820296 1046097058 /nfs/dbraw/zinc/09/70/58/1046097058.db2.gz GHKJADKCCDGFOZ-HOTGVXAUSA-N 0 0 304.478 4.172 20 10 DICDRN CCC(CC)[C@H](O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756569851 1046101149 /nfs/dbraw/zinc/10/11/49/1046101149.db2.gz SJKLVUNQRZOZJW-NOZJJQNGSA-N 0 0 320.260 4.147 20 10 DICDRN COc1cc(SC)ccc1NCc1ccc(N(C)C)cc1 ZINC000194496868 1046101369 /nfs/dbraw/zinc/10/13/69/1046101369.db2.gz BRJJMPYIQAZQRV-UHFFFAOYSA-N 0 0 302.443 4.095 20 10 DICDRN Cc1ccc(C[C@@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])s1 ZINC000756586626 1046104480 /nfs/dbraw/zinc/10/44/80/1046104480.db2.gz UEGIYBFZMUHKKZ-MWLCHTKSSA-N 0 0 311.397 4.322 20 10 DICDRN Cc1cccc([C@H](C)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000756603448 1046108008 /nfs/dbraw/zinc/10/80/08/1046108008.db2.gz BUGRMOWGQAVZEJ-ZIAGYGMSSA-N 0 0 314.385 4.063 20 10 DICDRN C[C@@H]([NH2+]C[C@@H](C)Cc1cccs1)c1cc(F)cc(F)c1[O-] ZINC000756609734 1046110464 /nfs/dbraw/zinc/11/04/64/1046110464.db2.gz FXACHIVURJXACU-WDEREUQCSA-N 0 0 311.397 4.261 20 10 DICDRN CCO[C@@H](CC[NH2+][C@@H](C)c1ccc(F)cc1[O-])C1CCCC1 ZINC000756638060 1046113782 /nfs/dbraw/zinc/11/37/82/1046113782.db2.gz RFIHCJFKSJKZFI-UGSOOPFHSA-N 0 0 309.425 4.167 20 10 DICDRN C[C@@H]([NH2+]C[C@@H]1SCCc2ccccc21)c1ccc(F)cc1[O-] ZINC000756636265 1046113861 /nfs/dbraw/zinc/11/38/61/1046113861.db2.gz WJZTZDWHYNZETA-XIKOKIGWSA-N 0 0 317.429 4.213 20 10 DICDRN CCS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000756638800 1046114141 /nfs/dbraw/zinc/11/41/41/1046114141.db2.gz RUOHBBXHEDAUOD-CYZMBNFOSA-N 0 0 315.429 4.385 20 10 DICDRN CCS[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000756638808 1046114491 /nfs/dbraw/zinc/11/44/91/1046114491.db2.gz RUOHBBXHEDAUOD-RAIGVLPGSA-N 0 0 315.429 4.385 20 10 DICDRN CCCN(CC)CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756637662 1046114658 /nfs/dbraw/zinc/11/46/58/1046114658.db2.gz OIYVFHKYQQEUEE-NSHDSACASA-N 0 0 319.276 4.082 20 10 DICDRN COc1ccc(CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])c(Cl)c1 ZINC000756648240 1046116287 /nfs/dbraw/zinc/11/62/87/1046116287.db2.gz ZTABJQXKOTVUOH-NSHDSACASA-N 0 0 323.795 4.087 20 10 DICDRN CC(C)c1csc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])n1 ZINC000756660102 1046118666 /nfs/dbraw/zinc/11/86/66/1046118666.db2.gz SGBXKHKGPXTNEE-SECBINFHSA-N 0 0 312.385 4.101 20 10 DICDRN Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756681405 1046120127 /nfs/dbraw/zinc/12/01/27/1046120127.db2.gz AURXRMIKDIIGNU-BDJLRTHQSA-N 0 0 319.351 4.072 20 10 DICDRN C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1cc(Br)cc(F)c1[O-] ZINC000756684338 1046120564 /nfs/dbraw/zinc/12/05/64/1046120564.db2.gz NMDUFDKQDCOTBD-RVBZMBCESA-N 0 0 316.214 4.133 20 10 DICDRN C[C@H]([NH2+]C1CC(c2ccccc2)C1)c1cc(F)cc(F)c1[O-] ZINC000756687238 1046121853 /nfs/dbraw/zinc/12/18/53/1046121853.db2.gz YAEPZBBZHOVLJN-ZOODHJKOSA-N 0 0 303.352 4.267 20 10 DICDRN CO[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])c1cccc(Cl)c1 ZINC000756732693 1046123894 /nfs/dbraw/zinc/12/38/94/1046123894.db2.gz NIHIWEMHJQFGOS-DIFFPNOSSA-N 0 0 323.795 4.223 20 10 DICDRN C[C@H]([NH2+][C@H](Cc1ccccc1)C1CC1)c1cc(F)cc(F)c1[O-] ZINC000756739109 1046126557 /nfs/dbraw/zinc/12/65/57/1046126557.db2.gz RYRXOOZSHWBYQN-KPZWWZAWSA-N 0 0 317.379 4.342 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)C[C@H](C)c2ccccc2)cc1 ZINC000195646062 1046128185 /nfs/dbraw/zinc/12/81/85/1046128185.db2.gz PAJQVLARBNVFNQ-KRWDZBQOSA-N 0 0 324.468 4.343 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)C1CCC1)c1cc(Br)c(F)cc1[O-] ZINC000756769026 1046130143 /nfs/dbraw/zinc/13/01/43/1046130143.db2.gz HYAVLHNJPUXEQL-DTWKUNHWSA-N 0 0 316.214 4.133 20 10 DICDRN CCN(CC)c1ccc(CNc2ncnc3ccc(F)cc32)cc1 ZINC000195684928 1046131825 /nfs/dbraw/zinc/13/18/25/1046131825.db2.gz QGTBKQLZAPYQJO-UHFFFAOYSA-N 0 0 324.403 4.227 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1cccc(F)c1F ZINC000756774193 1046131989 /nfs/dbraw/zinc/13/19/89/1046131989.db2.gz HFMXAKWIRDAETE-BDAKNGLRSA-N 0 0 313.294 4.360 20 10 DICDRN CCCCCn1cc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])c(C)n1 ZINC000756774273 1046132129 /nfs/dbraw/zinc/13/21/29/1046132129.db2.gz HWJXKXBIHKCVSG-AWEZNQCLSA-N 0 0 319.424 4.077 20 10 DICDRN C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)c1cc(F)cc(F)c1[O-] ZINC000756774194 1046132519 /nfs/dbraw/zinc/13/25/19/1046132519.db2.gz HFMXAKWIRDAETE-DTWKUNHWSA-N 0 0 313.294 4.360 20 10 DICDRN CCc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756786504 1046133129 /nfs/dbraw/zinc/13/31/29/1046133129.db2.gz LXOWDQUHSLSTHC-MNOVXSKESA-N 0 0 306.356 4.040 20 10 DICDRN COc1cc(F)ccc1N[C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756793018 1046135756 /nfs/dbraw/zinc/13/57/56/1046135756.db2.gz SQIADKMPDDUPSH-ZANVPECISA-N 0 0 305.324 4.339 20 10 DICDRN C[C@H](Nc1ccc2c(c1)OCO2)c1cc2c(cc1O)CCCC2 ZINC000756796459 1046136718 /nfs/dbraw/zinc/13/67/18/1046136718.db2.gz PZAWNQFBHVKQQJ-LBPRGKRZSA-N 0 0 311.381 4.173 20 10 DICDRN C[C@H](Nc1ccc(F)cc1)c1ccc(Br)cc1O ZINC000756794814 1046136825 /nfs/dbraw/zinc/13/68/25/1046136825.db2.gz DIAIVAFPHMBCMK-VIFPVBQESA-N 0 0 310.166 4.467 20 10 DICDRN C[C@@H](Nc1cccc(F)c1)c1cc(Br)ccc1O ZINC000756794797 1046137063 /nfs/dbraw/zinc/13/70/63/1046137063.db2.gz CSMLGWAQCVVPRE-SECBINFHSA-N 0 0 310.166 4.467 20 10 DICDRN C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1cc(Br)cc(F)c1[O-] ZINC000756816990 1046138488 /nfs/dbraw/zinc/13/84/88/1046138488.db2.gz FJKJIDXZKNJAOP-RKDXNWHRSA-N 0 0 316.214 4.133 20 10 DICDRN CC(=O)Nc1c(C)ccc(N[C@@H](C)c2cc(C)ccc2O)c1C ZINC000756815808 1046138514 /nfs/dbraw/zinc/13/85/14/1046138514.db2.gz VMOXUCXEDADOEF-AWEZNQCLSA-N 0 0 312.413 4.449 20 10 DICDRN COc1c(F)cc(N[C@@H](C)c2cc(F)cc(F)c2O)cc1F ZINC000756815792 1046138840 /nfs/dbraw/zinc/13/88/40/1046138840.db2.gz VDZFSASYIOGMMR-ZETCQYMHSA-N 0 0 315.266 4.130 20 10 DICDRN C[C@H]([NH2+]C1(c2ccc(F)cc2)CCC1)c1ccc(F)cc1[O-] ZINC000756819637 1046140465 /nfs/dbraw/zinc/14/04/65/1046140465.db2.gz UOASCMUGNGKAHU-LBPRGKRZSA-N 0 0 303.352 4.400 20 10 DICDRN Cc1csc(C2([NH2+][C@H](C)c3cc(F)cc(F)c3[O-])CCC2)n1 ZINC000756821962 1046140920 /nfs/dbraw/zinc/14/09/20/1046140920.db2.gz YAUXJNLIRPGHIT-SNVBAGLBSA-N 0 0 324.396 4.165 20 10 DICDRN Cc1csc(C2([NH2+][C@@H](C)c3cc(F)cc(F)c3[O-])CCC2)n1 ZINC000756821961 1046140954 /nfs/dbraw/zinc/14/09/54/1046140954.db2.gz YAUXJNLIRPGHIT-JTQLQIEISA-N 0 0 324.396 4.165 20 10 DICDRN C[C@H](Nc1ccc(OCC(F)F)cc1)c1ccc(F)cc1O ZINC000756837274 1046142347 /nfs/dbraw/zinc/14/23/47/1046142347.db2.gz GIVOGAQMQWIPID-JTQLQIEISA-N 0 0 311.303 4.348 20 10 DICDRN CCOCc1cccc(N[C@@H](C)c2cc(F)cc(F)c2O)c1 ZINC000756851276 1046144146 /nfs/dbraw/zinc/14/41/46/1046144146.db2.gz RUMXJVSQRYEHKK-NSHDSACASA-N 0 0 307.340 4.380 20 10 DICDRN CCc1c(N[C@H](C)c2cc(C)ccc2O)cnn1CC(C)C ZINC000756853901 1046144207 /nfs/dbraw/zinc/14/42/07/1046144207.db2.gz AIDIODNTQKDSTH-CQSZACIVSA-N 0 0 301.434 4.289 20 10 DICDRN CCc1c(N[C@H](C)c2ccc(F)cc2O)cnn1CC(C)C ZINC000756855938 1046145735 /nfs/dbraw/zinc/14/57/35/1046145735.db2.gz OWGSPWVVDRPWFQ-GFCCVEGCSA-N 0 0 305.397 4.119 20 10 DICDRN COc1cc(N[C@H](C)c2ccc(C)c(C)c2O)cc(OC)c1 ZINC000756865626 1046145978 /nfs/dbraw/zinc/14/59/78/1046145978.db2.gz SXXPMSOPRBFWOI-CYBMUJFWSA-N 0 0 301.386 4.199 20 10 DICDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(C3CC3)cc2)c1 ZINC000756873700 1046147132 /nfs/dbraw/zinc/14/71/32/1046147132.db2.gz IUIKGTLIPXAGCE-GFCCVEGCSA-N 0 0 311.381 4.229 20 10 DICDRN C[C@@H](Nc1ccc2c(c1)OC(C)(C)O2)c1cc(F)cc(F)c1O ZINC000756879642 1046147295 /nfs/dbraw/zinc/14/72/95/1046147295.db2.gz IUABWCZZJGTURZ-SECBINFHSA-N 0 0 321.323 4.351 20 10 DICDRN Cc1c(N[C@@H](C)c2ccc(C)c(C)c2O)cnn1CC(C)C ZINC000756873696 1046147355 /nfs/dbraw/zinc/14/73/55/1046147355.db2.gz ITWWIASBIDFAQX-AWEZNQCLSA-N 0 0 301.434 4.343 20 10 DICDRN COc1ccc(N[C@@H](C)c2ccc(C)cc2O)c2cccnc12 ZINC000756890760 1046149371 /nfs/dbraw/zinc/14/93/71/1046149371.db2.gz BINQDIXJAPEORF-ZDUSSCGKSA-N 0 0 308.381 4.431 20 10 DICDRN COc1ccc(N[C@H](C)c2cc(C)ccc2O)c2cccnc12 ZINC000756890660 1046149809 /nfs/dbraw/zinc/14/98/09/1046149809.db2.gz AMDPCJBWXQKTFS-CYBMUJFWSA-N 0 0 308.381 4.431 20 10 DICDRN C[C@@H]1c2cc(F)cc(F)c2CCN1Cc1ccc(N(C)C)cc1 ZINC001168153246 1046183445 /nfs/dbraw/zinc/18/34/45/1046183445.db2.gz FKEUEOKSWCKTFI-CYBMUJFWSA-N 0 0 316.395 4.150 20 10 DICDRN CC/C(C)=C(/C)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000779979661 1046186094 /nfs/dbraw/zinc/18/60/94/1046186094.db2.gz FJIKAOFFBYPQIR-YPKPFQOOSA-N 0 0 320.396 4.081 20 10 DICDRN CC[C@@H]([NH2+]Cc1nc2c(s1)CCC2)c1cccc(Cl)c1[O-] ZINC000903191644 1046189427 /nfs/dbraw/zinc/18/94/27/1046189427.db2.gz ZHGGFWXSKBRUMB-GFCCVEGCSA-N 0 0 322.861 4.232 20 10 DICDRN CCn1ncc2ccc(N[C@H](C)c3cc(F)cc(F)c3O)cc21 ZINC000757583861 1046189777 /nfs/dbraw/zinc/18/97/77/1046189777.db2.gz VDZUKFUHDWNSCZ-SNVBAGLBSA-N 0 0 317.339 4.213 20 10 DICDRN CC[C@H]([NH2+]Cc1nc2c(s1)CCC2)c1cccc(Cl)c1[O-] ZINC000903191645 1046189921 /nfs/dbraw/zinc/18/99/21/1046189921.db2.gz ZHGGFWXSKBRUMB-LBPRGKRZSA-N 0 0 322.861 4.232 20 10 DICDRN COc1ccc(O)c([C@@H](C)N[C@@H](CC(C)(C)C)C(F)(F)F)c1 ZINC000757632347 1046194949 /nfs/dbraw/zinc/19/49/49/1046194949.db2.gz YZDALYLEPABGDW-YGRLFVJLSA-N 0 0 319.367 4.419 20 10 DICDRN C[C@H](Nc1ccc(F)cc1OC(F)F)c1ccc(F)cc1O ZINC000757620950 1046195426 /nfs/dbraw/zinc/19/54/26/1046195426.db2.gz MTIDCODVUMYRPG-QMMMGPOBSA-N 0 0 315.266 4.445 20 10 DICDRN Cc1nc2c(s1)[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])CCC2 ZINC000757635981 1046195446 /nfs/dbraw/zinc/19/54/46/1046195446.db2.gz CQJTUDMNDJXXDO-SDBXPKJASA-N 0 0 324.396 4.164 20 10 DICDRN Cc1cc2c(cc1N[C@H]1C[C@H](C)c3c1c(O)ccc3F)OCO2 ZINC000757639602 1046197766 /nfs/dbraw/zinc/19/77/66/1046197766.db2.gz ZZNMKVXVYHCKEG-GWCFXTLKSA-N 0 0 315.344 4.229 20 10 DICDRN C[C@@H](Nc1cccc2c1OCO2)c1ccc2ccccc2c1O ZINC000757656532 1046197978 /nfs/dbraw/zinc/19/79/78/1046197978.db2.gz AZFDFNREVYKICI-GFCCVEGCSA-N 0 0 307.349 4.447 20 10 DICDRN Cc1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])ccc1Cl ZINC000757702050 1046203536 /nfs/dbraw/zinc/20/35/36/1046203536.db2.gz LFQHOKZMKNZSOT-LLVKDONJSA-N 0 0 320.776 4.113 20 10 DICDRN O=C1/C(=C/c2ccc(C3CC3)cc2)SC(=S)N1C1CCC1 ZINC000841497569 1046205800 /nfs/dbraw/zinc/20/58/00/1046205800.db2.gz JJXHJZKUAPGGDC-GDNBJRDFSA-N 0 0 315.463 4.318 20 10 DICDRN COc1c(Cl)cccc1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000903247037 1046207806 /nfs/dbraw/zinc/20/78/06/1046207806.db2.gz STTHANWIXCWPCA-JTQLQIEISA-N 0 0 309.768 4.044 20 10 DICDRN C[C@@H](NCc1nc(C(C)(C)C)co1)c1ccc(Cl)cc1O ZINC000903313388 1046234779 /nfs/dbraw/zinc/23/47/79/1046234779.db2.gz OSZDWODXUAVFIE-SNVBAGLBSA-N 0 0 308.809 4.182 20 10 DICDRN Cc1cc(C)c([C@H](C)NCc2nc(C(C)(C)C)co2)c(O)c1 ZINC000903313120 1046235106 /nfs/dbraw/zinc/23/51/06/1046235106.db2.gz IMDAMZKAHWWIPZ-ZDUSSCGKSA-N 0 0 302.418 4.145 20 10 DICDRN CCN(C)c1ccc([C@H](C)NCc2nc(C(C)(C)C)co2)cc1 ZINC000903312956 1046235147 /nfs/dbraw/zinc/23/51/47/1046235147.db2.gz DPVCDVIEWMHZFX-AWEZNQCLSA-N 0 0 315.461 4.279 20 10 DICDRN COc1ccc(CNc2cc(C)nc3c(F)cccc23)c(O)c1 ZINC000795283659 1046240162 /nfs/dbraw/zinc/24/01/62/1046240162.db2.gz GDBPLUXRABCQCG-UHFFFAOYSA-N 0 0 312.344 4.009 20 10 DICDRN COc1ccc(CNc2ncc(-c3ccccc3)s2)c(O)c1 ZINC000795290121 1046245112 /nfs/dbraw/zinc/24/51/12/1046245112.db2.gz QOOOGCFLNJQZBY-UHFFFAOYSA-N 0 0 312.394 4.136 20 10 DICDRN CCN(C(=O)/C=C/c1cnc(C)s1)c1ccc(Cl)cc1F ZINC000799409861 1046265579 /nfs/dbraw/zinc/26/55/79/1046265579.db2.gz SKCFNFWFYABLSL-FNORWQNLSA-N 0 0 324.808 4.310 20 10 DICDRN CCN(C(=O)/C=C/c1cnc(C)s1)c1ccc(Cl)c(F)c1 ZINC000799409291 1046269666 /nfs/dbraw/zinc/26/96/66/1046269666.db2.gz VMHFIGSJGUCJON-FNORWQNLSA-N 0 0 324.808 4.310 20 10 DICDRN CC[C@@H]([NH2+]CCc1cccnc1C)c1cccc(Cl)c1[O-] ZINC000903418145 1046273252 /nfs/dbraw/zinc/27/32/52/1046273252.db2.gz IKTIRYPPDSCLDC-MRXNPFEDSA-N 0 0 304.821 4.032 20 10 DICDRN CSc1cccc(N(C)C(=O)/C=C\c2ccc(Cl)nc2)c1 ZINC000758961877 1046306632 /nfs/dbraw/zinc/30/66/32/1046306632.db2.gz GXYJSWTUPPMCJD-CLFYSBASSA-N 0 0 318.829 4.133 20 10 DICDRN CCOc1ccc(N(CC)Cc2csc(C3CC3)n2)cc1 ZINC000759185594 1046330897 /nfs/dbraw/zinc/33/08/97/1046330897.db2.gz YZRQGJBDSLVMQF-UHFFFAOYSA-N 0 0 302.443 4.446 20 10 DICDRN Oc1ccc(Cl)cc1CNc1ccc(-c2cnco2)cc1 ZINC000037775253 1046340991 /nfs/dbraw/zinc/34/09/91/1046340991.db2.gz KZOGQOFSQGWCEU-UHFFFAOYSA-N 0 0 300.745 4.313 20 10 DICDRN CSc1ccccc1N(C)C(=O)/C=C/c1ccc(Cl)nc1 ZINC000759277913 1046342325 /nfs/dbraw/zinc/34/23/25/1046342325.db2.gz DJVAMALXGAJZEM-CSKARUKUSA-N 0 0 318.829 4.133 20 10 DICDRN Cc1cc(O)c(CNc2ccc(OCC(F)F)cc2)cc1C ZINC000748240449 1046361770 /nfs/dbraw/zinc/36/17/70/1046361770.db2.gz XRRIGWYYUBRCFT-UHFFFAOYSA-N 0 0 307.340 4.265 20 10 DICDRN O=C(NCc1ccccc1O)c1sccc1-c1ccccc1 ZINC000748354359 1046366994 /nfs/dbraw/zinc/36/69/94/1046366994.db2.gz KURQMCXHEJPCCZ-UHFFFAOYSA-N 0 0 309.390 4.051 20 10 DICDRN O=C(C1=CC(=O)CS1)N1CCCCC[C@@H]1c1ccccc1 ZINC000748377471 1046369052 /nfs/dbraw/zinc/36/90/52/1046369052.db2.gz XEKJVJSUEVOMHY-OAHLLOKOSA-N 0 0 301.411 4.211 20 10 DICDRN CCN(Cc1ccccc1O)Cc1c(F)cc(Cl)cc1F ZINC001139053208 1046369735 /nfs/dbraw/zinc/36/97/35/1046369735.db2.gz CDJJDVBFNULSNO-UHFFFAOYSA-N 0 0 311.759 4.346 20 10 DICDRN O=C(NCc1ccccc1O)Nc1ccccc1-c1ccccc1 ZINC000748438636 1046373479 /nfs/dbraw/zinc/37/34/79/1046373479.db2.gz OPLKUHXRSQELKV-UHFFFAOYSA-N 0 0 318.376 4.381 20 10 DICDRN CC(C)CCNC(=O)[C@H](C)Sc1ncc(C(C)(C)C)s1 ZINC000759715014 1046374392 /nfs/dbraw/zinc/37/43/92/1046374392.db2.gz ZKKPUBDMSIEMKY-NSHDSACASA-N 0 0 314.520 4.084 20 10 DICDRN CSc1ccc(Cl)cc1NC(=O)NCc1ccccc1O ZINC000748444265 1046376312 /nfs/dbraw/zinc/37/63/12/1046376312.db2.gz QWAVJQYRMMUQSI-UHFFFAOYSA-N 0 0 322.817 4.089 20 10 DICDRN C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)c1ccccc1O ZINC000827959762 1046382759 /nfs/dbraw/zinc/38/27/59/1046382759.db2.gz FIWCPWWXLXWRLY-KNXALSJPSA-N 0 0 315.800 4.027 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCC[C@H]1C ZINC001139123570 1046393633 /nfs/dbraw/zinc/39/36/33/1046393633.db2.gz IWHRBBBINWYYKY-NVXWUHKLSA-N 0 0 303.446 4.347 20 10 DICDRN CC1CCC([NH2+]Cc2cc(Cl)c3cccnc3c2[O-])CC1 ZINC001168201339 1046398296 /nfs/dbraw/zinc/39/82/96/1046398296.db2.gz QQGMAWRDJMBPMP-UHFFFAOYSA-N 0 0 304.821 4.262 20 10 DICDRN Cc1ccc(C(=O)N(C)C2CCC(C(C)(C)C)CC2)c(O)c1O ZINC000780881572 1046410218 /nfs/dbraw/zinc/41/02/18/1046410218.db2.gz FLQCMBNDPCHIQK-UHFFFAOYSA-N 0 0 319.445 4.083 20 10 DICDRN CC/C(C)=C(\C)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000780915351 1046412047 /nfs/dbraw/zinc/41/20/47/1046412047.db2.gz SEYLPQSZMUKGFE-FOCLMDBBSA-N 0 0 300.446 4.040 20 10 DICDRN COc1ccc(N(C[C@@H]2CC2(Cl)Cl)C(C)C)cc1F ZINC000749151304 1046433889 /nfs/dbraw/zinc/43/38/89/1046433889.db2.gz QIERYXJARCFYAK-JTQLQIEISA-N 0 0 306.208 4.243 20 10 DICDRN COc1ccc(-c2noc([C@@H](C)Sc3nccs3)n2)cc1 ZINC000127159859 1046481192 /nfs/dbraw/zinc/48/11/92/1046481192.db2.gz LJCKCSAEDKDCSF-SECBINFHSA-N 0 0 319.411 4.055 20 10 DICDRN CN(C[C@H]1CCCOC1)c1ccc(OCc2ccccc2)cc1 ZINC000781961854 1046489664 /nfs/dbraw/zinc/48/96/64/1046489664.db2.gz YIENLXWWZPPPKW-GOSISDBHSA-N 0 0 311.425 4.128 20 10 DICDRN CCCCCC(C)(C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001137293257 1046491865 /nfs/dbraw/zinc/49/18/65/1046491865.db2.gz JLKLWIXVPKOPFY-UHFFFAOYSA-N 0 0 318.421 4.185 20 10 DICDRN COc1ccccc1[C@@H](C)[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC001139673377 1046497073 /nfs/dbraw/zinc/49/70/73/1046497073.db2.gz RFZREQDQNKEIQL-MRXNPFEDSA-N 0 0 312.457 4.263 20 10 DICDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC001139683351 1046498611 /nfs/dbraw/zinc/49/86/11/1046498611.db2.gz HNDZYHGRUBVEPD-AWEZNQCLSA-N 0 0 303.352 4.050 20 10 DICDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC001139683590 1046498885 /nfs/dbraw/zinc/49/88/85/1046498885.db2.gz NQLRLPMYLFTGHF-LLVKDONJSA-N 0 0 323.770 4.313 20 10 DICDRN Cc1cccc([C@H]2CCC[N@@H+]2Cc2c(F)ccc(F)c2[O-])c1 ZINC001139685813 1046499447 /nfs/dbraw/zinc/49/94/47/1046499447.db2.gz XYMJFEGTWPXLQU-QGZVFWFLSA-N 0 0 303.352 4.316 20 10 DICDRN Oc1c(Cl)cccc1CNc1ccc2c(c1)[C@@H](O)CCCC2 ZINC000827024154 1046544065 /nfs/dbraw/zinc/54/40/65/1046544065.db2.gz AOLGDRCKJSOILU-KRWDZBQOSA-N 0 0 317.816 4.418 20 10 DICDRN CCC[N@H+](Cc1c[nH]nc1-c1ccccc1)Cc1ccccc1O ZINC000092704975 1046557274 /nfs/dbraw/zinc/55/72/74/1046557274.db2.gz UORAMBQBSNESGT-UHFFFAOYSA-N 0 0 321.424 4.195 20 10 DICDRN c1c[nH]c([C@H]2CCCCN2Cc2ccc(N3CCCCC3)cc2)n1 ZINC000092728526 1046564011 /nfs/dbraw/zinc/56/40/11/1046564011.db2.gz DLCATBJIOUZHEG-LJQANCHMSA-N 0 0 324.472 4.127 20 10 DICDRN CCOc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)cc1 ZINC000841746303 1046605318 /nfs/dbraw/zinc/60/53/18/1046605318.db2.gz XVNGKWBJQDZUQV-LBPRGKRZSA-N 0 0 305.805 4.295 20 10 DICDRN Cc1ccc([C@H](NCc2ccc(N(C)C)cc2)C(F)(F)F)o1 ZINC000783670611 1046619510 /nfs/dbraw/zinc/61/95/10/1046619510.db2.gz OMEPCRNJZZKXBV-HNNXBMFYSA-N 0 0 312.335 4.047 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCC1(C)C ZINC001140232108 1046620857 /nfs/dbraw/zinc/62/08/57/1046620857.db2.gz YSXYLYKVBHPOEB-AWEZNQCLSA-N 0 0 302.443 4.074 20 10 DICDRN C[N@H+](Cc1cccc(Cl)c1[O-])CC1(c2ccccc2)CC1 ZINC000783700776 1046624461 /nfs/dbraw/zinc/62/44/61/1046624461.db2.gz CFKUJNUHQVJJNW-UHFFFAOYSA-N 0 0 301.817 4.209 20 10 DICDRN C[C@H](CC(=O)N[C@@H](C)c1ccccc1O)c1c[nH]c2ccccc21 ZINC000827969880 1046632452 /nfs/dbraw/zinc/63/24/52/1046632452.db2.gz UGBKFVFPYDNJEX-KGLIPLIRSA-N 0 0 322.408 4.245 20 10 DICDRN CCOc1cccc(CN(Cc2ccccc2)CC(F)F)c1O ZINC000093735744 1046637240 /nfs/dbraw/zinc/63/72/40/1046637240.db2.gz JYMZLWATUDBBGY-UHFFFAOYSA-N 0 0 321.367 4.058 20 10 DICDRN CC[C@H]([NH2+]CCCNc1ccccc1)c1ccc(F)cc1[O-] ZINC000796771310 1046646540 /nfs/dbraw/zinc/64/65/40/1046646540.db2.gz IPMRVPARHKVYBH-KRWDZBQOSA-N 0 0 302.393 4.074 20 10 DICDRN CC(=O)Nc1c(C)ccc(N[C@@H]2CCc3cccc(O)c32)c1C ZINC000834709711 1046653302 /nfs/dbraw/zinc/65/33/02/1046653302.db2.gz LUFDOPINYRQWSY-MRXNPFEDSA-N 0 0 310.397 4.067 20 10 DICDRN Cc1c(Cl)cc(Cl)cc1N(CCO)c1ccc(N)cc1 ZINC001211983035 1046661289 /nfs/dbraw/zinc/66/12/89/1046661289.db2.gz DUUPAKOJRURDKZ-UHFFFAOYSA-N 0 0 311.212 4.014 20 10 DICDRN Cn1c2ccc(N[C@H]3CCc4cccc(O)c43)cc2nc1C1CC1 ZINC000834755706 1046665723 /nfs/dbraw/zinc/66/57/23/1046665723.db2.gz HJHCZSFVZQOESP-HNNXBMFYSA-N 0 0 319.408 4.256 20 10 DICDRN Oc1ccccc1CNc1ccc(Cl)c(Br)c1 ZINC000094667751 1046681677 /nfs/dbraw/zinc/68/16/77/1046681677.db2.gz SPSMETLOZOPLTF-UHFFFAOYSA-N 0 0 312.594 4.420 20 10 DICDRN CC[C@H]([NH2+]C[C@H](C)CCCO)c1ccc(Cl)c(Cl)c1[O-] ZINC000834871011 1046691815 /nfs/dbraw/zinc/69/18/15/1046691815.db2.gz MIRIULQWHOBAGY-MFKMUULPSA-N 0 0 320.260 4.148 20 10 DICDRN CC(C)[C@H]1C[C@H](C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)CCO1 ZINC000834885046 1046698323 /nfs/dbraw/zinc/69/83/23/1046698323.db2.gz GCDVVXSDFQYCSO-LNCBFAARSA-N 0 0 321.436 4.120 20 10 DICDRN CC(C)(C)OC1CC([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000784678831 1046707095 /nfs/dbraw/zinc/70/70/95/1046707095.db2.gz QOGDVOVOUHNRBO-UHFFFAOYSA-N 0 0 318.244 4.135 20 10 DICDRN C[C@H]([NH2+]CCC[C@@H]1CCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000834901547 1046712891 /nfs/dbraw/zinc/71/28/91/1046712891.db2.gz BNRDNMIMISYJEZ-WDEREUQCSA-N 0 0 318.244 4.166 20 10 DICDRN COc1cccc([C@H]2C[C@H]([NH2+][C@H](C)c3ccc(F)cc3[O-])C2)c1 ZINC000834905666 1046715724 /nfs/dbraw/zinc/71/57/24/1046715724.db2.gz VHVAWYZOLUJTPR-XNRPHZJLSA-N 0 0 315.388 4.137 20 10 DICDRN C[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000834904135 1046715879 /nfs/dbraw/zinc/71/58/79/1046715879.db2.gz NEZWNMIXNXIWFC-GHMZBOCLSA-N 0 0 318.244 4.166 20 10 DICDRN CC[C@@H]([NH2+]CCCOC1CCCCC1)c1ccc(F)cc1[O-] ZINC000796676539 1046716215 /nfs/dbraw/zinc/71/62/15/1046716215.db2.gz SREVHXNYEQKCHQ-QGZVFWFLSA-N 0 0 309.425 4.311 20 10 DICDRN CC[C@@H]([NH2+]Cc1cccc2cccnc21)c1ccc(F)cc1[O-] ZINC000796722151 1046723519 /nfs/dbraw/zinc/72/35/19/1046723519.db2.gz DPDLRLYGVZIYJK-QGZVFWFLSA-N 0 0 310.372 4.320 20 10 DICDRN CC[C@H]([NH2+][C@H]1CCCOc2ccccc21)c1ccc(F)cc1[O-] ZINC000796735736 1046724545 /nfs/dbraw/zinc/72/45/45/1046724545.db2.gz FHQDNBSMLWYLDT-IRXDYDNUSA-N 0 0 315.388 4.486 20 10 DICDRN CC[C@@H]([NH2+][C@@H]1CCOc2c(C)cccc21)c1ccc(F)cc1[O-] ZINC000796735774 1046724580 /nfs/dbraw/zinc/72/45/80/1046724580.db2.gz FYKGBOOZAYLAQW-IAGOWNOFSA-N 0 0 315.388 4.404 20 10 DICDRN C[N@H+](Cc1cccc(Cl)c1)Cc1c(O)ccc2ccncc21 ZINC000834956185 1046726444 /nfs/dbraw/zinc/72/64/44/1046726444.db2.gz LASNXHNKVDHKFD-UHFFFAOYSA-N 0 0 312.800 4.226 20 10 DICDRN CC[C@H]([NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C)c1ccc(F)cc1[O-] ZINC000796772601 1046731589 /nfs/dbraw/zinc/73/15/89/1046731589.db2.gz UKBOWVXRPAKBMR-SKDZVZGDSA-N 0 0 323.452 4.413 20 10 DICDRN CC[C@H]([NH2+][C@@H]1CCc2c1cccc2OC)c1ccc(F)cc1[O-] ZINC000796795620 1046733813 /nfs/dbraw/zinc/73/38/13/1046733813.db2.gz MEBBXYSQNCQKMZ-DLBZAZTESA-N 0 0 315.388 4.268 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc(C)cc1OC)c1ccc(F)cc1[O-] ZINC000796798323 1046734704 /nfs/dbraw/zinc/73/47/04/1046734704.db2.gz ZNDFSINLABSJLQ-INIZCTEOSA-N 0 0 303.377 4.089 20 10 DICDRN CC[C@H]([NH2+][C@H](C)C[C@H](O)c1ccccc1)c1ccc(F)cc1[O-] ZINC000796797203 1046734879 /nfs/dbraw/zinc/73/48/79/1046734879.db2.gz LOPOCLGXCHNAKI-BVGQSLNGSA-N 0 0 317.404 4.084 20 10 DICDRN Oc1cc(Cl)ccc1CN1CCc2c3ccccc3oc2C1 ZINC001140466074 1046739639 /nfs/dbraw/zinc/73/96/39/1046739639.db2.gz WEXRSFOXRJDZOR-UHFFFAOYSA-N 0 0 313.784 4.350 20 10 DICDRN CC[C@@H]([NH2+][C@H]1COc2c1ccc(C)c2C)c1ccc(F)cc1[O-] ZINC000796821725 1046740825 /nfs/dbraw/zinc/74/08/25/1046740825.db2.gz VLGQLKAWBPVQET-SJORKVTESA-N 0 0 315.388 4.323 20 10 DICDRN CCOc1cc(C)c(Nc2nc(-c3ccncc3)cs2)cn1 ZINC001203040969 1046740750 /nfs/dbraw/zinc/74/07/50/1046740750.db2.gz JMQVAOASXVHZKW-UHFFFAOYSA-N 0 0 312.398 4.051 20 10 DICDRN CC(=O)Nc1cc(NC/C=C/c2ccc(N(C)C)cc2)ccc1C ZINC000835030194 1046742211 /nfs/dbraw/zinc/74/22/11/1046742211.db2.gz ANPNIZYMWBLVNP-AATRIKPKSA-N 0 0 323.440 4.145 20 10 DICDRN CC[C@H]([NH2+][C@H]1COc2c1cccc2Cl)c1ccc(F)cc1[O-] ZINC000796834922 1046742366 /nfs/dbraw/zinc/74/23/66/1046742366.db2.gz OLQYKANUASVFMD-GJZGRUSLSA-N 0 0 321.779 4.359 20 10 DICDRN CC[C@H]([NH2+]Cc1ccc(OC)cc1C)c1ccc(F)cc1[O-] ZINC000796833728 1046743401 /nfs/dbraw/zinc/74/34/01/1046743401.db2.gz YMLJJBPQRFLGEE-KRWDZBQOSA-N 0 0 303.377 4.089 20 10 DICDRN CC[C@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1ccc(F)cc1[O-] ZINC000796844006 1046744049 /nfs/dbraw/zinc/74/40/49/1046744049.db2.gz CUQAKJBGLWYNRF-FUHWJXTLSA-N 0 0 300.377 4.118 20 10 DICDRN CCCCn1cc(C[NH2+][C@H](CC)c2ccc(F)cc2[O-])c(C)n1 ZINC000796855276 1046747133 /nfs/dbraw/zinc/74/71/33/1046747133.db2.gz OOQMNUUSSDSUAH-QGZVFWFLSA-N 0 0 319.424 4.077 20 10 DICDRN CC[C@H](Nc1ccc2c(c1)C[C@H](OC)C2)c1ccc(F)cc1O ZINC000796938121 1046761407 /nfs/dbraw/zinc/76/14/07/1046761407.db2.gz WQJZWVWEBZBNBF-AEFFLSMTSA-N 0 0 315.388 4.208 20 10 DICDRN CCO[C@H](C[NH2+][C@H](CC)c1ccc(F)cc1[O-])c1ccccc1 ZINC000796972318 1046765732 /nfs/dbraw/zinc/76/57/32/1046765732.db2.gz JOUOJDUBUBZNTJ-IEBWSBKVSA-N 0 0 317.404 4.350 20 10 DICDRN CC[C@@H]([NH2+][C@H](CC)c1ccc(F)cc1[O-])c1c(C)nn(C)c1C ZINC000796778949 1046766476 /nfs/dbraw/zinc/76/64/76/1046766476.db2.gz AKLWMUOCCMTXGP-HZPDHXFCSA-N 0 0 319.424 4.074 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)Cc1c(F)cc(F)cc1F ZINC001140536331 1046772721 /nfs/dbraw/zinc/77/27/21/1046772721.db2.gz RBSMSWXIRKDGDT-UHFFFAOYSA-N 0 0 322.374 4.192 20 10 DICDRN C[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000797064738 1046784691 /nfs/dbraw/zinc/78/46/91/1046784691.db2.gz JFZDCILWDWMYKA-YVZVNANGSA-N 0 0 306.258 4.101 20 10 DICDRN CC[C@H]([NH2+]CC1(c2ccccn2)CCC1)c1ccc(F)cc1[O-] ZINC000797101775 1046791312 /nfs/dbraw/zinc/79/13/12/1046791312.db2.gz VKYQSYUKZJGWDP-INIZCTEOSA-N 0 0 314.404 4.089 20 10 DICDRN CCN(C)c1ccc([C@H](C)N[C@@H](C)c2c(F)cncc2F)cc1 ZINC000797126588 1046793404 /nfs/dbraw/zinc/79/34/04/1046793404.db2.gz MTENUVGCXJVWJH-STQMWFEESA-N 0 0 319.399 4.228 20 10 DICDRN CC[C@H](C)CCC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000797188144 1046798389 /nfs/dbraw/zinc/79/83/89/1046798389.db2.gz DQJZYBRFRKGSEX-HNNXBMFYSA-N 0 0 315.413 4.340 20 10 DICDRN Cc1cc(C(=O)Nc2cc[nH]n2)c(C)n1-c1cccc(C(C)C)c1 ZINC000303153945 1046880675 /nfs/dbraw/zinc/88/06/75/1046880675.db2.gz OCAKRQSSTYADJP-UHFFFAOYSA-N 0 0 322.412 4.193 20 10 DICDRN CCc1ccnc(CNC(=S)Nc2ccc3ccccc3c2)c1 ZINC000797793852 1046883252 /nfs/dbraw/zinc/88/32/52/1046883252.db2.gz YBUIQDSIPDOXAR-UHFFFAOYSA-N 0 0 321.449 4.284 20 10 DICDRN Fc1ccc(-c2nc(CSc3nccs3)co2)cc1F ZINC000077566625 1046884756 /nfs/dbraw/zinc/88/47/56/1046884756.db2.gz GMSAAELQOMSEBH-UHFFFAOYSA-N 0 0 310.350 4.369 20 10 DICDRN CN(C)c1ccc(CNc2ccc(Cl)cc2C#N)cc1F ZINC000303222778 1046892698 /nfs/dbraw/zinc/89/26/98/1046892698.db2.gz SDSRIWWALWCSRP-UHFFFAOYSA-N 0 0 303.768 4.029 20 10 DICDRN C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)c1cc(F)cc(F)c1[O-] ZINC000797999844 1046918738 /nfs/dbraw/zinc/91/87/38/1046918738.db2.gz YAEPZBBZHOVLJN-UXIGCNINSA-N 0 0 303.352 4.267 20 10 DICDRN CSc1ccc(CC[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000797999982 1046918815 /nfs/dbraw/zinc/91/88/15/1046918815.db2.gz ZWNYJTZBGZFHQB-LLVKDONJSA-N 0 0 323.408 4.286 20 10 DICDRN Cc1cnc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])s1 ZINC000798183570 1046934556 /nfs/dbraw/zinc/93/45/56/1046934556.db2.gz NVUBIADWKYRVCU-VIFPVBQESA-N 0 0 316.348 4.027 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)N(C)C(C)(C)CC)cc1 ZINC000798425796 1046955339 /nfs/dbraw/zinc/95/53/39/1046955339.db2.gz PGGDVHCWABLOCR-UHFFFAOYSA-N 0 0 319.493 4.205 20 10 DICDRN CCOc1ccc(C[NH2+][C@H](C)c2ccc(SC)cc2)c(O)c1 ZINC000798504363 1046959908 /nfs/dbraw/zinc/95/99/08/1046959908.db2.gz FHQGARBIERZYBP-CYBMUJFWSA-N 0 0 317.454 4.364 20 10 DICDRN CC(C)c1ccc(/C=C2/SC(=S)N(C3CC3)C2=O)cc1 ZINC000799203697 1047012664 /nfs/dbraw/zinc/01/26/64/1047012664.db2.gz GWUHGPPSUCXSNO-NTEUORMPSA-N 0 0 303.452 4.174 20 10 DICDRN CCN(C(=O)/C=C/c1cncc(C)c1)c1ccc(Cl)cc1F ZINC000799409554 1047026749 /nfs/dbraw/zinc/02/67/49/1047026749.db2.gz GQMUWKXDUAJCRD-QPJJXVBHSA-N 0 0 318.779 4.249 20 10 DICDRN CCN(C(=O)/C=C\c1cncc(F)c1)c1ccc(Cl)c(F)c1 ZINC000799409340 1047026967 /nfs/dbraw/zinc/02/69/67/1047026967.db2.gz XEPSADNCAUPMAG-UTCJRWHESA-N 0 0 322.742 4.080 20 10 DICDRN C[C@H]([NH2+]Cc1cccc(C(F)F)c1)c1cc(F)cc(F)c1[O-] ZINC001116722509 1047171944 /nfs/dbraw/zinc/17/19/44/1047171944.db2.gz MRNLGNYWBZPSKK-VIFPVBQESA-N 0 0 313.294 4.459 20 10 DICDRN C[C@H](O)c1cc(NCc2ccc(N3CCCC3)cc2)ccc1F ZINC001117110802 1047194098 /nfs/dbraw/zinc/19/40/98/1047194098.db2.gz WUMTWXVBKPYKNW-AWEZNQCLSA-N 0 0 314.404 4.091 20 10 DICDRN C[C@@H](CCCc1cccnc1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000839151233 1047198583 /nfs/dbraw/zinc/19/85/83/1047198583.db2.gz SZUXVGIDFQSZCH-LBPRGKRZSA-N 0 0 322.811 4.081 20 10 DICDRN COc1ccc(NCc2ccc(N(C)C)c(F)c2)cc1SC ZINC000839150671 1047198840 /nfs/dbraw/zinc/19/88/40/1047198840.db2.gz MQBLRCMZRLXXNK-UHFFFAOYSA-N 0 0 320.433 4.234 20 10 DICDRN CC[C@@H](OC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)o1 ZINC001117204123 1047205529 /nfs/dbraw/zinc/20/55/29/1047205529.db2.gz UZEGGOWDPQHOLV-MRXNPFEDSA-N 0 0 311.385 4.242 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1cccc(Cl)c1F ZINC001117721852 1047237444 /nfs/dbraw/zinc/23/74/44/1047237444.db2.gz ZSVMWXSSVOZZRF-UHFFFAOYSA-N 0 0 318.150 4.267 20 10 DICDRN Cc1cc(-c2nnc(-c3cncs3)o2)c(C)n1-c1ccccc1 ZINC001118086539 1047264110 /nfs/dbraw/zinc/26/41/10/1047264110.db2.gz WMLJUTXKWLRZFH-UHFFFAOYSA-N 0 0 322.393 4.268 20 10 DICDRN CCO[C@@H]1C[C@H]1c1nnc(-c2cc(C)n(-c3ccccc3)c2C)o1 ZINC001118129000 1047268116 /nfs/dbraw/zinc/26/81/16/1047268116.db2.gz NOOWLNHJAVLFOO-IAGOWNOFSA-N 0 0 323.396 4.037 20 10 DICDRN CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1ccccc1OC ZINC000388587188 1047286879 /nfs/dbraw/zinc/28/68/79/1047286879.db2.gz HHENMPCPWJUFQQ-WBMJQRKESA-N 0 0 303.377 4.342 20 10 DICDRN C[C@H](CCOCc1ccccc1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000389929670 1047293688 /nfs/dbraw/zinc/29/36/88/1047293688.db2.gz HGMBBLCWBHAXJQ-CABCVRRESA-N 0 0 317.404 4.177 20 10 DICDRN c1nn(C2CCC2)cc1NCc1ccc(N2CCCCC2)cc1 ZINC000897874116 1047294610 /nfs/dbraw/zinc/29/46/10/1047294610.db2.gz SAYLNYFSRSGXRG-UHFFFAOYSA-N 0 0 310.445 4.211 20 10 DICDRN [O-]c1cc(F)c(F)cc1C[NH+]1CCC(c2cccs2)CC1 ZINC001142520059 1047294790 /nfs/dbraw/zinc/29/47/90/1047294790.db2.gz AXJGCODYTWLJNF-UHFFFAOYSA-N 0 0 309.381 4.112 20 10 DICDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1cncs1 ZINC000897934513 1047299500 /nfs/dbraw/zinc/29/95/00/1047299500.db2.gz KUUUQTQIURUCHP-SSDOTTSWSA-N 0 0 303.214 4.006 20 10 DICDRN CCc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1C ZINC000391909494 1047304941 /nfs/dbraw/zinc/30/49/41/1047304941.db2.gz CJGDMCYXCWPVLL-UHFFFAOYSA-N 0 0 310.441 4.006 20 10 DICDRN C[C@@H](NC(=O)CCc1ccc(C(F)F)cc1)c1ccccc1O ZINC000827955941 1047307623 /nfs/dbraw/zinc/30/76/23/1047307623.db2.gz HLSHVXMGZIXLJH-GFCCVEGCSA-N 0 0 319.351 4.140 20 10 DICDRN C[C@H](NC(=O)CCc1ccc(C(F)F)cc1)c1ccccc1O ZINC000827955942 1047307970 /nfs/dbraw/zinc/30/79/70/1047307970.db2.gz HLSHVXMGZIXLJH-LBPRGKRZSA-N 0 0 319.351 4.140 20 10 DICDRN COc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(F)c(F)cc2[O-])c1 ZINC001142527248 1047308405 /nfs/dbraw/zinc/30/84/05/1047308405.db2.gz PVGQOOFGAPEERZ-KRWDZBQOSA-N 0 0 319.351 4.016 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000898218291 1047323520 /nfs/dbraw/zinc/32/35/20/1047323520.db2.gz CVSTUOQRWVYENR-UHFFFAOYSA-N 0 0 323.864 4.406 20 10 DICDRN CC[C@H]([NH2+]C[C@H](C)CCOC)c1cc(Cl)cc(Cl)c1[O-] ZINC000840835139 1047340719 /nfs/dbraw/zinc/34/07/19/1047340719.db2.gz HGJJCOOBAIIGAQ-YGRLFVJLSA-N 0 0 320.260 4.412 20 10 DICDRN CC[C@H]([NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-])[C@H](O)C(C)C ZINC000840881191 1047351808 /nfs/dbraw/zinc/35/18/08/1047351808.db2.gz GGLMOSHPNPAYOL-LJWDBELGSA-N 0 0 320.260 4.145 20 10 DICDRN COc1ccc(N(CCC(C)C)Cc2nnc(C(C)C)o2)cc1 ZINC000796503706 1047355719 /nfs/dbraw/zinc/35/57/19/1047355719.db2.gz IEOZCUHURXPOGN-UHFFFAOYSA-N 0 0 317.433 4.254 20 10 DICDRN CC[C@H]([NH2+]CC(C)(C)c1cccnc1)c1cccc(Cl)c1[O-] ZINC000840891613 1047355664 /nfs/dbraw/zinc/35/56/64/1047355664.db2.gz ISEAJPDFAYHRRF-INIZCTEOSA-N 0 0 318.848 4.459 20 10 DICDRN CCOc1ccc(N[C@H](C)c2cc(OC)ccc2O)c(F)c1 ZINC000840895549 1047357412 /nfs/dbraw/zinc/35/74/12/1047357412.db2.gz ZUGDQXFFDMUWMY-LLVKDONJSA-N 0 0 305.349 4.112 20 10 DICDRN COc1cc(O)c(CNc2ccc(C)cc2SC)cc1OC ZINC000840956000 1047363720 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Nc1ccc(NC(=O)N[C@@H](c2ccccc2)C2CCCC2)cc1 ZINC000841301788 1047401465 /nfs/dbraw/zinc/40/14/65/1047401465.db2.gz YVAKNUUAPDRNJQ-SFHVURJKSA-N 0 0 309.413 4.322 20 10 DICDRN Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)Nc2ccc(N)cc2)cc1 ZINC000841299538 1047401637 /nfs/dbraw/zinc/40/16/37/1047401637.db2.gz IKKGGGOBULYIHJ-RBUKOAKNSA-N 0 0 323.440 4.377 20 10 DICDRN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)Nc1ccc(N)cc1 ZINC000841299481 1047401883 /nfs/dbraw/zinc/40/18/83/1047401883.db2.gz LFFAINRFIWMBRP-HBUWYVDXSA-N 0 0 309.413 4.067 20 10 DICDRN C[C@H]1CCN(C(=O)Nc2ccc(N)cc2)[C@@H]1c1cccc(F)c1 ZINC000841299487 1047402038 /nfs/dbraw/zinc/40/20/38/1047402038.db2.gz HQHQIAVIRHDATN-SJCJKPOMSA-N 0 0 313.376 4.023 20 10 DICDRN C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccc(N)cc2)C1 ZINC000841300437 1047402114 /nfs/dbraw/zinc/40/21/14/1047402114.db2.gz RQXSZPWUKXENCI-SJCJKPOMSA-N 0 0 313.376 4.023 20 10 DICDRN Nc1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC000841300462 1047402212 /nfs/dbraw/zinc/40/22/12/1047402212.db2.gz POSXNWLRGOVYGQ-QGZVFWFLSA-N 0 0 313.376 4.071 20 10 DICDRN COc1ccc(CCNc2ccc(CC(F)(F)F)cc2)cc1 ZINC000749275283 1047407571 /nfs/dbraw/zinc/40/75/71/1047407571.db2.gz ZKBOVJAQEIAGPG-UHFFFAOYSA-N 0 0 309.331 4.455 20 10 DICDRN C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1CCCC1 ZINC000749341486 1047411981 /nfs/dbraw/zinc/41/19/81/1047411981.db2.gz GWHVAWINRGOUPB-HNNXBMFYSA-N 0 0 314.473 4.070 20 10 DICDRN CCCCCN(C(=O)NCc1ccc(N(C)C)c(F)c1)C(C)C ZINC000749416707 1047417841 /nfs/dbraw/zinc/41/78/41/1047417841.db2.gz VUKPTUCBMAOEBV-UHFFFAOYSA-N 0 0 323.456 4.002 20 10 DICDRN Cn1c(-c2ccccc2)cnc1SCCc1cccs1 ZINC000749459079 1047419482 /nfs/dbraw/zinc/41/94/82/1047419482.db2.gz SKSIAYSOOMGUDY-UHFFFAOYSA-N 0 0 300.452 4.483 20 10 DICDRN CC[C@@H](CC1CCCCC1)C(=O)NCc1cc(OC)ccc1O ZINC000749535740 1047425367 /nfs/dbraw/zinc/42/53/67/1047425367.db2.gz CXIXGFAOQDIMDU-HNNXBMFYSA-N 0 0 319.445 4.014 20 10 DICDRN O=C(CCC1CCC1)N(Cc1ccco1)Cc1ccccc1O ZINC000749535932 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C[C@@H](Nc1ccc(N2CCCC2)nc1)c1ccc(Cl)cc1O ZINC000841749681 1047450830 /nfs/dbraw/zinc/45/08/30/1047450830.db2.gz GUKIRTRMXDBYFO-GFCCVEGCSA-N 0 0 317.820 4.214 20 10 DICDRN CC[C@@H]([NH2+][C@H]1COCc2ccccc21)c1cccc(Cl)c1[O-] ZINC000841761687 1047454830 /nfs/dbraw/zinc/45/48/30/1047454830.db2.gz RIUABGSPBJWGHC-SJORKVTESA-N 0 0 317.816 4.358 20 10 DICDRN CCCCCC(C)(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC001142465727 1047460063 /nfs/dbraw/zinc/46/00/63/1047460063.db2.gz OEHQLSJNOCYEHC-UHFFFAOYSA-N 0 0 316.489 4.292 20 10 DICDRN [O-]c1cc(F)c(F)cc1C[N@H+](Cc1ccccc1)C1CCC1 ZINC001142531288 1047465466 /nfs/dbraw/zinc/46/54/66/1047465466.db2.gz SIHKMYFHZCNSQK-UHFFFAOYSA-N 0 0 303.352 4.225 20 10 DICDRN O=C(/C=C/C1CCCCCC1)NCc1ccc2cccnc2c1O ZINC001142731330 1047488425 /nfs/dbraw/zinc/48/84/25/1047488425.db2.gz UOODIJKEMICCQO-FMIVXFBMSA-N 0 0 324.424 4.083 20 10 DICDRN Cn1c2ccc(OC(=O)CCC(F)F)cc2c2c1CCCC2 ZINC000843021137 1047523738 /nfs/dbraw/zinc/52/37/38/1047523738.db2.gz NWPZYGJUMXNWHG-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/63/78/02/1048637802.db2.gz MXMVWEUOMWPJBI-GOSISDBHSA-N 0 0 317.816 4.418 20 10 DICDRN COCc1ccc(NCc2ccccc2O)cc1C(F)(F)F ZINC000850371650 1048642666 /nfs/dbraw/zinc/64/26/66/1048642666.db2.gz YWFNCRXRMVJKHQ-UHFFFAOYSA-N 0 0 311.303 4.170 20 10 DICDRN CC1(C)[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1(F)F ZINC000850394064 1048646348 /nfs/dbraw/zinc/64/63/48/1048646348.db2.gz JHMCIXFARYLDAL-SNVBAGLBSA-N 0 0 310.171 4.080 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCCc1ccco1 ZINC000850407935 1048649900 /nfs/dbraw/zinc/64/99/00/1048649900.db2.gz UBZCYUVGTQPJDY-UHFFFAOYSA-N 0 0 300.185 4.014 20 10 DICDRN COc1cccc([C@H](C)Nc2cc(C)c(C)cc2OC)c1O ZINC000850501189 1048670340 /nfs/dbraw/zinc/67/03/40/1048670340.db2.gz KMLWDFBBWUWBGP-ZDUSSCGKSA-N 0 0 301.386 4.199 20 10 DICDRN C[C@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1ccc(F)cc1[O-] ZINC000850521040 1048676579 /nfs/dbraw/zinc/67/65/79/1048676579.db2.gz NECRGUBMZSNPOS-NSHDSACASA-N 0 0 319.351 4.062 20 10 DICDRN C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000850536374 1048684282 /nfs/dbraw/zinc/68/42/82/1048684282.db2.gz JPDSWFCUTDFFCT-JMCQJSRRSA-N 0 0 310.171 4.395 20 10 DICDRN C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000850536375 1048684380 /nfs/dbraw/zinc/68/43/80/1048684380.db2.gz JPDSWFCUTDFFCT-JVXZTZIISA-N 0 0 310.171 4.395 20 10 DICDRN CC(C)(C)OC(=O)N(CCCSc1nccs1)C1CC1 ZINC001165561559 1048698391 /nfs/dbraw/zinc/69/83/91/1048698391.db2.gz BDCQFLIJVXOUNO-UHFFFAOYSA-N 0 0 314.476 4.025 20 10 DICDRN CC(C)c1cnc(CN[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775364377 1048700461 /nfs/dbraw/zinc/70/04/61/1048700461.db2.gz POXIYRZOWXIRCT-CYBMUJFWSA-N 0 0 303.475 4.183 20 10 DICDRN CCC[C@@H](C(=O)NCc1ccc(N)cc1)c1ccc(Cl)cc1 ZINC000850711625 1048704039 /nfs/dbraw/zinc/70/40/39/1048704039.db2.gz PKLHELVSNLIXAQ-QGZVFWFLSA-N 0 0 316.832 4.122 20 10 DICDRN COc1ccc(O)cc1N(c1ccc(N)cc1)c1ccc(N)cc1 ZINC001176581074 1048714927 /nfs/dbraw/zinc/71/49/27/1048714927.db2.gz CQKSXDGCRIWUFB-UHFFFAOYSA-N 0 0 321.380 4.035 20 10 DICDRN COCCC1(C[NH2+]Cc2c(O)cccc2Cl)CCCCC1 ZINC000775373859 1048715658 /nfs/dbraw/zinc/71/56/58/1048715658.db2.gz DGRZGLOXBUOVOR-UHFFFAOYSA-N 0 0 311.853 4.122 20 10 DICDRN COc1ccc(O)cc1Nc1ccccc1Cc1ccc(N)cc1 ZINC001176581474 1048715773 /nfs/dbraw/zinc/71/57/73/1048715773.db2.gz KSLKSJUBRCUQGM-UHFFFAOYSA-N 0 0 320.392 4.317 20 10 DICDRN CC(C)(C)c1cnc(SCc2c(F)cncc2F)s1 ZINC001165809216 1048717861 /nfs/dbraw/zinc/71/78/61/1048717861.db2.gz YALNUYIDPCHPCT-UHFFFAOYSA-N 0 0 300.399 4.406 20 10 DICDRN CC[C@H](Sc1ncc(C(=O)OC)s1)c1ccc(F)cc1 ZINC001166227259 1048739946 /nfs/dbraw/zinc/73/99/46/1048739946.db2.gz CJCWZTAWVPMXPM-NSHDSACASA-N 0 0 311.403 4.312 20 10 DICDRN CCCc1ccc(CSc2ncc(C(=O)OC)s2)cc1 ZINC001166227593 1048741881 /nfs/dbraw/zinc/74/18/81/1048741881.db2.gz MXAQBLIYJVHINM-UHFFFAOYSA-N 0 0 307.440 4.175 20 10 DICDRN Cc1ccc(F)cc1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775428375 1048820122 /nfs/dbraw/zinc/82/01/22/1048820122.db2.gz NNNSGNXLZGHWJY-CYBMUJFWSA-N 0 0 315.392 4.083 20 10 DICDRN CCc1cccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775432376 1048843805 /nfs/dbraw/zinc/84/38/05/1048843805.db2.gz BWJRQYYXFRYZEV-CQSZACIVSA-N 0 0 311.429 4.198 20 10 DICDRN CCC[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000773622513 1048846871 /nfs/dbraw/zinc/84/68/71/1048846871.db2.gz FHFJMEFZUDAKHH-HOTGVXAUSA-N 0 0 317.477 4.035 20 10 DICDRN Cc1cccc(CNC(=O)Nc2ccc(C(C)(C)C)cc2)c1O ZINC001191161970 1048868112 /nfs/dbraw/zinc/86/81/12/1048868112.db2.gz GSCSJSHWYAIXCL-UHFFFAOYSA-N 0 0 312.413 4.320 20 10 DICDRN Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001177308572 1048874401 /nfs/dbraw/zinc/87/44/01/1048874401.db2.gz YOEBMWCGNNLPAF-HNNXBMFYSA-N 0 0 321.367 4.375 20 10 DICDRN COc1c(F)cc(NC/C=C/c2ccc(N(C)C)cc2)cc1F ZINC001177424164 1048885635 /nfs/dbraw/zinc/88/56/35/1048885635.db2.gz AVAHGFYSVVBXCA-SNAWJCMRSA-N 0 0 318.367 4.165 20 10 DICDRN O=C(Nc1cccc(Nc2ccccc2)c1)c1cccc(O)c1O ZINC000776652731 1048895230 /nfs/dbraw/zinc/89/52/30/1048895230.db2.gz DSGYQQUWCFERPA-UHFFFAOYSA-N 0 0 320.348 4.094 20 10 DICDRN Cc1oc(-c2ccsc2)nc1CN(C)Cc1ccccc1O ZINC000111235547 1048898281 /nfs/dbraw/zinc/89/82/81/1048898281.db2.gz UMRFZEOVFDVDCH-UHFFFAOYSA-N 0 0 314.410 4.049 20 10 DICDRN Cc1cc(C)c(CNC(=O)CCCCc2cccs2)c(O)c1 ZINC001177493677 1048900641 /nfs/dbraw/zinc/90/06/41/1048900641.db2.gz UXPYJWBLRRZZGT-UHFFFAOYSA-N 0 0 317.454 4.100 20 10 DICDRN CCN(CC)c1ccc(CNc2ccc(N(C)C)c(F)c2)cc1 ZINC001203440269 1048903135 /nfs/dbraw/zinc/90/31/35/1048903135.db2.gz ILOOIMMYCQCTDX-UHFFFAOYSA-N 0 0 315.436 4.350 20 10 DICDRN O=C(Nc1ccccc1Nc1ccccc1)c1cccc(O)c1O ZINC000776677430 1048905461 /nfs/dbraw/zinc/90/54/61/1048905461.db2.gz VOPWXTMWEBGSAD-UHFFFAOYSA-N 0 0 320.348 4.094 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CCC2(CC(F)C2)CC1 ZINC001203574211 1048933053 /nfs/dbraw/zinc/93/30/53/1048933053.db2.gz PVPKEHRMDUIDGH-UHFFFAOYSA-N 0 0 318.219 4.413 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC001203581042 1048934768 /nfs/dbraw/zinc/93/47/68/1048934768.db2.gz ZIMHFJPYGKISSC-GFCCVEGCSA-N 0 0 323.223 4.084 20 10 DICDRN CCN(Cc1cccc(OC)c1O)Cc1c(F)cccc1Cl ZINC001203599229 1048939843 /nfs/dbraw/zinc/93/98/43/1048939843.db2.gz DRVKXSYUBBPTNN-UHFFFAOYSA-N 0 0 323.795 4.215 20 10 DICDRN O=C(c1ccccc1F)c1cc(Cl)ccc1Nc1cnoc1 ZINC001203237531 1048940105 /nfs/dbraw/zinc/94/01/05/1048940105.db2.gz DKCFFUMZCXFDOJ-UHFFFAOYSA-N 0 0 316.719 4.442 20 10 DICDRN Cc1ccc(Nc2ccc(N)nc2F)c(C(=O)c2ccccc2)c1 ZINC001203625494 1048941829 /nfs/dbraw/zinc/94/18/29/1048941829.db2.gz PCSOTLMLPOMICT-UHFFFAOYSA-N 0 0 321.355 4.086 20 10 DICDRN Cc1cncc(/C=C/C(=O)N2CC(C)(C)Sc3ccccc32)c1 ZINC001126983481 1048942542 /nfs/dbraw/zinc/94/25/42/1048942542.db2.gz KXHOXEPYEGHJPO-CMDGGOBGSA-N 0 0 324.449 4.321 20 10 DICDRN COc1ccc(C(C)(C)C)cc1NC(=O)C1=CC(=O)CS1 ZINC000854178292 1048947501 /nfs/dbraw/zinc/94/75/01/1048947501.db2.gz ZQYIVRZLULREGY-UHFFFAOYSA-N 0 0 305.399 4.012 20 10 DICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CCc2ccccc21 ZINC001177854953 1048953575 /nfs/dbraw/zinc/95/35/75/1048953575.db2.gz FRCMDKVBWLEHIJ-GFCCVEGCSA-N 0 0 305.780 4.004 20 10 DICDRN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCc3cc(N)ccc32)c1O ZINC000854226971 1048955793 /nfs/dbraw/zinc/95/57/93/1048955793.db2.gz PINKQESRPUFBBT-APPDUMDISA-N 0 0 316.832 4.274 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(CF)cc1 ZINC000854374878 1048966093 /nfs/dbraw/zinc/96/60/93/1048966093.db2.gz ZQKCOPYDAMMZMF-UHFFFAOYSA-N 0 0 315.388 4.304 20 10 DICDRN CC(=O)c1cc(F)cc(CN(c2ccccc2)C(C)C)c1O ZINC001191636033 1048970341 /nfs/dbraw/zinc/97/03/41/1048970341.db2.gz LWCPFBIRKGPEPP-UHFFFAOYSA-N 0 0 301.361 4.149 20 10 DICDRN Cn1cnc2cc(NCc3cccc(C(F)(F)F)c3)ccc21 ZINC001178037331 1048983357 /nfs/dbraw/zinc/98/33/57/1048983357.db2.gz DJCNPYDFJBGPRV-UHFFFAOYSA-N 0 0 305.303 4.204 20 10 DICDRN CC[C@@H](Nc1ccc(OC)cc1OC)c1ccc(N(C)C)cc1 ZINC000776752885 1048985992 /nfs/dbraw/zinc/98/59/92/1048985992.db2.gz KXMZLOZUAQJRQE-QGZVFWFLSA-N 0 0 314.429 4.333 20 10 DICDRN Cc1cc(Br)c([O-])c(C[NH2+]C(C(C)C)C(C)C)c1 ZINC001178125298 1048994894 /nfs/dbraw/zinc/99/48/94/1048994894.db2.gz VYGUOKFYTXEHSP-UHFFFAOYSA-N 0 0 314.267 4.233 20 10 DICDRN CCN(C(=O)/C=C\c1scnc1C)c1cccc(C)c1C ZINC000776771740 1049006086 /nfs/dbraw/zinc/00/60/86/1049006086.db2.gz KVRGNLQATYGQLW-KTKRTIGZSA-N 0 0 300.427 4.135 20 10 DICDRN CCN(C(=O)/C=C\c1scnc1C)c1cccc(Cl)c1 ZINC000776771729 1049006234 /nfs/dbraw/zinc/00/62/34/1049006234.db2.gz KPMNSOUOGQQVNH-FPLPWBNLSA-N 0 0 306.818 4.171 20 10 DICDRN CC[C@H]([NH2+]CCc1ccc(O)cc1)c1cc(Cl)ccc1O ZINC000775491139 1049012916 /nfs/dbraw/zinc/01/29/16/1049012916.db2.gz YVGZWWIOLRCNEP-INIZCTEOSA-N 0 0 305.805 4.035 20 10 DICDRN COc1ccc(N(C)C[C@H](OC)c2ccc(Cl)cc2)cc1F ZINC001191891290 1049015379 /nfs/dbraw/zinc/01/53/79/1049015379.db2.gz IEFBFNLRLUDMHH-KRWDZBQOSA-N 0 0 323.795 4.312 20 10 DICDRN COc1ccc(N(C)C[C@@H]2CC[C@H](c3ccccc3)O2)cc1F ZINC001191890735 1049015413 /nfs/dbraw/zinc/01/54/13/1049015413.db2.gz ASTPTQLRRREOHZ-FUHWJXTLSA-N 0 0 315.388 4.191 20 10 DICDRN CC[C@H](C(=O)NCc1c(O)cccc1F)C1CCC(C)CC1 ZINC001178413845 1049036352 /nfs/dbraw/zinc/03/63/52/1049036352.db2.gz ZGEJAXXHLBJGAY-RUXDESIVSA-N 0 0 307.409 4.000 20 10 DICDRN CCN(CC)c1ccc(CN2CCOC[C@@H]2c2ccccc2)cc1 ZINC001203940572 1049038548 /nfs/dbraw/zinc/03/85/48/1049038548.db2.gz QEYDPPVKDHBMEG-OAQYLSRUSA-N 0 0 324.468 4.106 20 10 DICDRN CCN(CC)c1ccc(CN2Cc3cnc(Cl)cc3C2)cc1 ZINC001203946861 1049041950 /nfs/dbraw/zinc/04/19/50/1049041950.db2.gz YOONMOAFICWJQC-UHFFFAOYSA-N 0 0 315.848 4.097 20 10 DICDRN CC[C@@H]([NH2+]CCOCC1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775503631 1049047126 /nfs/dbraw/zinc/04/71/26/1049047126.db2.gz LCTIXBVOTXJUDG-CYBMUJFWSA-N 0 0 318.244 4.166 20 10 DICDRN COc1ccc(N(CCc2ccccc2F)C(C)C)cc1F ZINC001192140278 1049049734 /nfs/dbraw/zinc/04/97/34/1049049734.db2.gz ROGAMRBVQAREFD-UHFFFAOYSA-N 0 0 305.368 4.431 20 10 DICDRN CC[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775513871 1049057906 /nfs/dbraw/zinc/05/79/06/1049057906.db2.gz VPIIFMGTKNOFDE-IUODEOHRSA-N 0 0 318.244 4.309 20 10 DICDRN CC(C)(C)c1cnc(SCc2cnc3ccccn23)s1 ZINC000776849080 1049071100 /nfs/dbraw/zinc/07/11/00/1049071100.db2.gz VDEIXAVHZYLSCM-UHFFFAOYSA-N 0 0 303.456 4.381 20 10 DICDRN CCCCCC[C@@H](C)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000773763672 1049073806 /nfs/dbraw/zinc/07/38/06/1049073806.db2.gz XVRRLRASSCUBFD-HUUCEWRRSA-N 0 0 321.461 4.142 20 10 DICDRN CC1(C)CCN(C(=O)Nc2ccc(N)cc2)C[C@@H]1c1ccccc1 ZINC000904500739 1049076917 /nfs/dbraw/zinc/07/69/17/1049076917.db2.gz PMVAMQRWTJFVQQ-GOSISDBHSA-N 0 0 323.440 4.316 20 10 DICDRN Cc1cc(C)c(CNC(=O)/C=C/c2cc3ccccc3o2)c(O)c1 ZINC001178759856 1049085007 /nfs/dbraw/zinc/08/50/07/1049085007.db2.gz LKLOSHSVIZFQFB-BQYQJAHWSA-N 0 0 321.376 4.085 20 10 DICDRN CO[C@@](C)(C[NH2+]Cc1c(O)cc(C)cc1Cl)c1ccccc1 ZINC001178762499 1049085573 /nfs/dbraw/zinc/08/55/73/1049085573.db2.gz MPOLSMHQNDASJK-SFHVURJKSA-N 0 0 319.832 4.005 20 10 DICDRN Cn1cc(NCc2c(O)cccc2Cl)c(C2CCCCC2)n1 ZINC001178775714 1049093894 /nfs/dbraw/zinc/09/38/94/1049093894.db2.gz WHXRTXNMOXQQPQ-UHFFFAOYSA-N 0 0 319.836 4.439 20 10 DICDRN Cc1c2ccccc2n(C)c1CNc1ccccc1OCCF ZINC001178777588 1049095411 /nfs/dbraw/zinc/09/54/11/1049095411.db2.gz BBUPDSYEWUEWBA-UHFFFAOYSA-N 0 0 312.388 4.447 20 10 DICDRN CCCc1nc(C)c(CN(c2ccc(OC)c(F)c2)C(C)C)o1 ZINC000794415505 1049095685 /nfs/dbraw/zinc/09/56/85/1049095685.db2.gz UXFYIXUTLVDVGB-UHFFFAOYSA-N 0 0 320.408 4.498 20 10 DICDRN C[C@H]1c2ccccc2CCN1Cc1cc(F)c(N(C)C)cc1F ZINC001204163691 1049099483 /nfs/dbraw/zinc/09/94/83/1049099483.db2.gz SIXUYLYYRQBNTN-ZDUSSCGKSA-N 0 0 316.395 4.150 20 10 DICDRN CC[C@@H]([NH2+][C@H]1CCSC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775527302 1049101993 /nfs/dbraw/zinc/10/19/93/1049101993.db2.gz QFEXDRYAUNCDAI-GZMMTYOYSA-N 0 0 306.258 4.245 20 10 DICDRN Cc1cc(O)c(CN2CCc3c(F)cccc3C2)c(Cl)c1 ZINC001204171539 1049104785 /nfs/dbraw/zinc/10/47/85/1049104785.db2.gz SMDMRUUBTJVMRP-UHFFFAOYSA-N 0 0 305.780 4.051 20 10 DICDRN CCc1cccc(CN(CC)Cc2c(F)cccc2F)c1O ZINC001204187425 1049106191 /nfs/dbraw/zinc/10/61/91/1049106191.db2.gz JXVXZRBWCCWCRW-UHFFFAOYSA-N 0 0 305.368 4.255 20 10 DICDRN CN(Cc1ccc(N2CCCC2)cc1)Cc1ccc(F)cc1F ZINC001204210577 1049112293 /nfs/dbraw/zinc/11/22/93/1049112293.db2.gz UGBKSSFMNQQNSX-UHFFFAOYSA-N 0 0 316.395 4.197 20 10 DICDRN CC[C@@H](Nc1cc(C)ccn1)c1cc(Br)ccc1O ZINC000775532214 1049112826 /nfs/dbraw/zinc/11/28/26/1049112826.db2.gz TUZYDNIIDQPJFX-CYBMUJFWSA-N 0 0 321.218 4.421 20 10 DICDRN CCN(C)c1ccc([C@H](C)N[C@H](C)c2c(F)cncc2F)cc1 ZINC000797126529 1049117083 /nfs/dbraw/zinc/11/70/83/1049117083.db2.gz MTENUVGCXJVWJH-QWHCGFSZSA-N 0 0 319.399 4.228 20 10 DICDRN C[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])[C@@H](c2ccco2)C1 ZINC001204270099 1049124989 /nfs/dbraw/zinc/12/49/89/1049124989.db2.gz IWQFVCZVRIZATP-IAQYHMDHSA-N 0 0 307.340 4.237 20 10 DICDRN C[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000857081157 1049125397 /nfs/dbraw/zinc/12/53/97/1049125397.db2.gz MHKANSQJJWDEQT-RKDXNWHRSA-N 0 0 309.278 4.107 20 10 DICDRN C[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])[C@H](c2ccco2)C1 ZINC001204270100 1049125737 /nfs/dbraw/zinc/12/57/37/1049125737.db2.gz IWQFVCZVRIZATP-NHYWBVRUSA-N 0 0 307.340 4.237 20 10 DICDRN C[C@H]([NH2+]CC[C@H]1CC1(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000857081156 1049126120 /nfs/dbraw/zinc/12/61/20/1049126120.db2.gz MHKANSQJJWDEQT-IUCAKERBSA-N 0 0 309.278 4.107 20 10 DICDRN CC[C@@H](Nc1cnn(CC2CC2)c1)c1cc(Cl)ccc1O ZINC000775540355 1049128890 /nfs/dbraw/zinc/12/88/90/1049128890.db2.gz IKTPJOSBSFBZOK-OAHLLOKOSA-N 0 0 305.809 4.215 20 10 DICDRN COc1ccc(-n2c(C)cc(-c3nc([C@@H]4C[C@H]4C)no3)c2C)cc1 ZINC000904821437 1049154478 /nfs/dbraw/zinc/15/44/78/1049154478.db2.gz VOLYXHZKBUQJMO-BDJLRTHQSA-N 0 0 323.396 4.276 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)C1CC(C(C)(C)C)C1 ZINC000857466735 1049154740 /nfs/dbraw/zinc/15/47/40/1049154740.db2.gz FKEPJWPHWDBYKI-UHFFFAOYSA-N 0 0 303.446 4.203 20 10 DICDRN CC(C)(F)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001179315024 1049156087 /nfs/dbraw/zinc/15/60/87/1049156087.db2.gz IMDIEWYSDJHMQT-UHFFFAOYSA-N 0 0 312.432 4.087 20 10 DICDRN CC(C)(C(=O)NCc1c(O)ccc2c1CCCC2)C1CCCC1 ZINC000857472198 1049157396 /nfs/dbraw/zinc/15/73/96/1049157396.db2.gz IKCBIUKMZASPNH-UHFFFAOYSA-N 0 0 315.457 4.104 20 10 DICDRN CC1(CC(=O)NCc2c(O)ccc3c2CCCC3)CCCCC1 ZINC000857472350 1049157478 /nfs/dbraw/zinc/15/74/78/1049157478.db2.gz LAUBFWVZTJZICH-UHFFFAOYSA-N 0 0 315.457 4.248 20 10 DICDRN CC1(C)CCC(C(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000857472007 1049157947 /nfs/dbraw/zinc/15/79/47/1049157947.db2.gz DOMOIHQOQJDYLN-UHFFFAOYSA-N 0 0 315.457 4.104 20 10 DICDRN Cc1cccc(C2(C(=O)NCc3ccccc3O)CCCCC2)c1 ZINC000857471896 1049158015 /nfs/dbraw/zinc/15/80/15/1049158015.db2.gz LDHYKEDHONHCKB-UHFFFAOYSA-N 0 0 323.436 4.219 20 10 DICDRN CCN(C)c1ccc(CN2CCc3c4ccccc4[nH]c3C2)cc1 ZINC001193003638 1049160242 /nfs/dbraw/zinc/16/02/42/1049160242.db2.gz ZFHSBGWIUZSWBN-UHFFFAOYSA-N 0 0 319.452 4.182 20 10 DICDRN CN(C)c1ccc(CN(C)Cc2ccc(F)cc2Cl)cc1 ZINC001204438410 1049162610 /nfs/dbraw/zinc/16/26/10/1049162610.db2.gz AVUSCRKZDPKQRQ-UHFFFAOYSA-N 0 0 306.812 4.177 20 10 DICDRN Cc1ccc2nc(NC/C=C/c3ccc(N(C)C)cc3)[nH]c2c1 ZINC001179442980 1049166301 /nfs/dbraw/zinc/16/63/01/1049166301.db2.gz JVEKIZNMHLZWKX-SNAWJCMRSA-N 0 0 306.413 4.063 20 10 DICDRN CN(C)c1ccc(CNc2nc3ccccc3n2C2CC2)cc1F ZINC001179489414 1049170459 /nfs/dbraw/zinc/17/04/59/1049170459.db2.gz NGRUERKZCDEGOJ-UHFFFAOYSA-N 0 0 324.403 4.188 20 10 DICDRN O=C(NCc1cc(Cl)ccc1O)c1cccc2ccccc21 ZINC000857546687 1049172787 /nfs/dbraw/zinc/17/27/87/1049172787.db2.gz DYBORRKLKSOTEJ-UHFFFAOYSA-N 0 0 311.768 4.129 20 10 DICDRN CC(C)(C)Oc1cccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC001179512574 1049177556 /nfs/dbraw/zinc/17/75/56/1049177556.db2.gz XFMOCNMHGBALLF-UHFFFAOYSA-N 0 0 321.367 4.138 20 10 DICDRN CC1(C)C(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)C1(C)C ZINC001179694570 1049193834 /nfs/dbraw/zinc/19/38/34/1049193834.db2.gz RSRRJEFHRYHVFV-UHFFFAOYSA-N 0 0 322.452 4.484 20 10 DICDRN CC[C@@H]1CCCC[C@H]1[N@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC001193462624 1049212390 /nfs/dbraw/zinc/21/23/90/1049212390.db2.gz WVTXJOCJBBNUKM-CXAGYDPISA-N 0 0 307.409 4.135 20 10 DICDRN CN(C)c1cc(F)c(CN2CCC[C@@H]2c2ccsc2)cc1F ZINC001204658051 1049213858 /nfs/dbraw/zinc/21/38/58/1049213858.db2.gz OXZFFSHEPHNGJN-MRXNPFEDSA-N 0 0 322.424 4.429 20 10 DICDRN Cc1ccc([C@H](C)[NH2+]Cc2cc(F)c(N(C)C)cc2F)s1 ZINC000858107228 1049217314 /nfs/dbraw/zinc/21/73/14/1049217314.db2.gz KECGRTGZEJLFEE-NSHDSACASA-N 0 0 310.413 4.252 20 10 DICDRN C[C@@H]1c2ccccc2CC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC001179855619 1049218346 /nfs/dbraw/zinc/21/83/46/1049218346.db2.gz XQOYUIRMKGPTOK-LLVKDONJSA-N 0 0 305.780 4.304 20 10 DICDRN C[C@@H](c1cc(F)ccc1F)[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC001204728766 1049242537 /nfs/dbraw/zinc/24/25/37/1049242537.db2.gz FUZXENWIWIVJGP-VIFPVBQESA-N 0 0 313.294 4.142 20 10 DICDRN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H](C)CC2)c1 ZINC001180029875 1049261370 /nfs/dbraw/zinc/26/13/70/1049261370.db2.gz GTCAPGZNLOYPEF-LLVKDONJSA-N 0 0 312.251 4.085 20 10 DICDRN C[C@H](Nc1cnn(CCF)c1)c1cc(Cl)c(Cl)cc1O ZINC000858492016 1049264723 /nfs/dbraw/zinc/26/47/23/1049264723.db2.gz RTXJPQODWRUYAP-QMMMGPOBSA-N 0 0 318.179 4.038 20 10 DICDRN CCC(F)(F)C(C)(C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858512356 1049267665 /nfs/dbraw/zinc/26/76/65/1049267665.db2.gz CKSWEOQFRCBXNA-SNVBAGLBSA-N 0 0 316.348 4.023 20 10 DICDRN C[C@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1ccns1 ZINC000858575553 1049278317 /nfs/dbraw/zinc/27/83/17/1049278317.db2.gz ALFGBKIQQQIQQV-RYUDHWBXSA-N 0 0 302.443 4.139 20 10 DICDRN C[C@@]1(c2ccccc2)CCC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC001180133539 1049280192 /nfs/dbraw/zinc/28/01/92/1049280192.db2.gz XUGGZRLISZTQTJ-LJQANCHMSA-N 0 0 317.379 4.224 20 10 DICDRN Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001180142326 1049283354 /nfs/dbraw/zinc/28/33/54/1049283354.db2.gz MXXHATPCCIRZAE-DZGCQCFKSA-N 0 0 317.379 4.357 20 10 DICDRN CN(C)c1ccc(/C=C/C(=O)Nc2csc3cnccc23)cc1 ZINC001180123993 1049290558 /nfs/dbraw/zinc/29/05/58/1049290558.db2.gz VSAAWVRBNDYQSE-VMPITWQZSA-N 0 0 323.421 4.014 20 10 DICDRN CCC[C@@H](C(=O)NCc1ccc(N)cc1)c1cccc(Cl)c1 ZINC000859594221 1049341570 /nfs/dbraw/zinc/34/15/70/1049341570.db2.gz TYYKYNCBAQXDAC-QGZVFWFLSA-N 0 0 316.832 4.122 20 10 DICDRN C[N@H+](Cc1cc(F)cc(F)c1[O-])[C@@H]1CCCc2ccccc21 ZINC001180422043 1049360239 /nfs/dbraw/zinc/36/02/39/1049360239.db2.gz CBEVFGLRCKBULM-QGZVFWFLSA-N 0 0 303.352 4.180 20 10 DICDRN Cc1ccc(OC(=O)NCc2cc3ccccc3cc2O)cc1 ZINC001194486043 1049383390 /nfs/dbraw/zinc/38/33/90/1049383390.db2.gz WBBDZQKYUYRSLO-UHFFFAOYSA-N 0 0 307.349 4.142 20 10 DICDRN COc1ccc(N(C)Cc2cnc3c(F)cccc3c2)cc1F ZINC001180760411 1049403779 /nfs/dbraw/zinc/40/37/79/1049403779.db2.gz ZVYCHAZFUPPWTL-UHFFFAOYSA-N 0 0 314.335 4.158 20 10 DICDRN Cc1cccc([C@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3[O-])C2)c1 ZINC001180819659 1049409723 /nfs/dbraw/zinc/40/97/23/1049409723.db2.gz JIYYGSJLWGLXMH-AWEZNQCLSA-N 0 0 319.807 4.483 20 10 DICDRN Cc1cccc([C@@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3[O-])C2)c1 ZINC001180819660 1049410065 /nfs/dbraw/zinc/41/00/65/1049410065.db2.gz JIYYGSJLWGLXMH-CQSZACIVSA-N 0 0 319.807 4.483 20 10 DICDRN CC[C@@H](Nc1cncc(Br)c1)c1ccccc1O ZINC000117861946 1049423753 /nfs/dbraw/zinc/42/37/53/1049423753.db2.gz QWMBKGQGDHYRES-CYBMUJFWSA-N 0 0 307.191 4.113 20 10 DICDRN CCc1cccc(CNc2ccc(OC)c3cccnc23)c1O ZINC001180970722 1049425012 /nfs/dbraw/zinc/42/50/12/1049425012.db2.gz WLWIYVPRUPWPTR-UHFFFAOYSA-N 0 0 308.381 4.124 20 10 DICDRN CCn1nccc1Nc1ccc(C)cc1C(=O)c1ccccc1 ZINC001205323638 1049439848 /nfs/dbraw/zinc/43/98/48/1049439848.db2.gz WEPYNSYLLYJICB-UHFFFAOYSA-N 0 0 305.381 4.186 20 10 DICDRN COc1cc(Cl)cc(CN2CCCc3c(F)cccc32)c1O ZINC001205353911 1049447059 /nfs/dbraw/zinc/44/70/59/1049447059.db2.gz PHCULZMGIDJBSX-UHFFFAOYSA-N 0 0 321.779 4.146 20 10 DICDRN Cc1oc2ncnc(N[C@@H](C)c3ccc(N(C)C)cc3)c2c1C ZINC000773903909 1049447580 /nfs/dbraw/zinc/44/75/80/1049447580.db2.gz XFSOBVVUSWZBCA-LBPRGKRZSA-N 0 0 310.401 4.079 20 10 DICDRN CCCC[N@@H+](Cc1ccc(F)c(F)c1[O-])Cc1ccccc1O ZINC001181184134 1049449786 /nfs/dbraw/zinc/44/97/86/1049449786.db2.gz DNSPGOQJDQWBBD-UHFFFAOYSA-N 0 0 321.367 4.178 20 10 DICDRN CC[C@@H](Nc1ccc(SC)cn1)c1ccc(N(C)C)cc1 ZINC000777203871 1049457249 /nfs/dbraw/zinc/45/72/49/1049457249.db2.gz DUPAHTGDDQIFSN-MRXNPFEDSA-N 0 0 301.459 4.433 20 10 DICDRN CCc1ccc(CN(C)c2ccc(-c3nccs3)cc2)nc1 ZINC001194994082 1049458651 /nfs/dbraw/zinc/45/86/51/1049458651.db2.gz RREASRDWZCTFPO-UHFFFAOYSA-N 0 0 309.438 4.404 20 10 DICDRN COc1cc(C)c(C[N@@H+]2CC[C@H](c3ccc(C)cc3)C2)c(O)c1 ZINC001205394814 1049459136 /nfs/dbraw/zinc/45/91/36/1049459136.db2.gz ZMDJQFZKZIRUTA-KRWDZBQOSA-N 0 0 311.425 4.007 20 10 DICDRN CCc1c(NCc2cccc(CC)c2O)cnn1CCC(C)C ZINC001205405028 1049462219 /nfs/dbraw/zinc/46/22/19/1049462219.db2.gz ARWNMXGMCFSSCZ-UHFFFAOYSA-N 0 0 315.461 4.372 20 10 DICDRN Cc1ccc(CN2C[C@H](C)Oc3c(Cl)cccc32)c(O)c1 ZINC001181336607 1049463149 /nfs/dbraw/zinc/46/31/49/1049463149.db2.gz JSZPZSXDULBLLV-LBPRGKRZSA-N 0 0 303.789 4.142 20 10 DICDRN CC(C)(C)c1cccc2c1OCCN2Cc1cc(F)ccc1O ZINC001205414707 1049464415 /nfs/dbraw/zinc/46/44/15/1049464415.db2.gz OAERSYRRZZCMBJ-UHFFFAOYSA-N 0 0 315.388 4.228 20 10 DICDRN CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(Cl)c1[O-] ZINC000775637258 1049476132 /nfs/dbraw/zinc/47/61/32/1049476132.db2.gz MQZACGJMYSLTBD-UHFFFAOYSA-N 0 0 318.848 4.134 20 10 DICDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H](C)C(C)C ZINC001181513156 1049486544 /nfs/dbraw/zinc/48/65/44/1049486544.db2.gz WIOCYHIPJMSVPP-GUYCJALGSA-N 0 0 303.446 4.041 20 10 DICDRN Cc1cc(Br)c([O-])c(C[N@H+](CC2CC2)C2CCC2)c1 ZINC001205526778 1049490600 /nfs/dbraw/zinc/49/06/00/1049490600.db2.gz IEULZNXNCLOVMS-UHFFFAOYSA-N 0 0 324.262 4.228 20 10 DICDRN COc1ccc(C[N@H+](Cc2cccc(Cl)c2[O-])C2CC2)cc1 ZINC000775644893 1049497714 /nfs/dbraw/zinc/49/77/14/1049497714.db2.gz WVCNAZVTTSEXSB-UHFFFAOYSA-N 0 0 317.816 4.219 20 10 DICDRN C[C@@H](Nc1cnn(-c2ccccc2F)c1)c1ccc(N(C)C)cc1 ZINC000777262375 1049498904 /nfs/dbraw/zinc/49/89/04/1049498904.db2.gz XAEHSXQUZPICEP-CQSZACIVSA-N 0 0 324.403 4.251 20 10 DICDRN C[C@@H](c1ccccc1)[N@H+](Cc1cc(F)c(F)cc1[O-])C1CC1 ZINC001181656658 1049501569 /nfs/dbraw/zinc/50/15/69/1049501569.db2.gz SZDGWJTWKZXVNF-LBPRGKRZSA-N 0 0 303.352 4.396 20 10 DICDRN COc1ccccc1C[N@H+](Cc1cccc(Cl)c1[O-])C1CC1 ZINC000775649383 1049513185 /nfs/dbraw/zinc/51/31/85/1049513185.db2.gz PVNIIJXCAWNMPL-UHFFFAOYSA-N 0 0 317.816 4.219 20 10 DICDRN O=C(CC1=CCCCC1)NCc1ccc(N2CCCCC2)cc1 ZINC000730214380 1049513902 /nfs/dbraw/zinc/51/39/02/1049513902.db2.gz GQBNQLGCCXYESH-UHFFFAOYSA-N 0 0 312.457 4.184 20 10 DICDRN CC[C@@H](CC(C)C)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC001181831569 1049528867 /nfs/dbraw/zinc/52/88/67/1049528867.db2.gz LEUVKFMAUPWYJV-KRWDZBQOSA-N 0 0 304.478 4.173 20 10 DICDRN CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])[C@H](C)c1cccc(O)c1 ZINC000775655707 1049533334 /nfs/dbraw/zinc/53/33/34/1049533334.db2.gz 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DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C(C)C)C2CCC2)cc1 ZINC000740789144 1050626125 /nfs/dbraw/zinc/62/61/25/1050626125.db2.gz GIQFCNOUIZXZOO-UHFFFAOYSA-N 0 0 310.441 4.497 20 10 DICDRN Cc1cc(C)n(CC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)n1 ZINC000740872178 1050634957 /nfs/dbraw/zinc/63/49/57/1050634957.db2.gz HSUDDOLXWRUZLO-UHFFFAOYSA-N 0 0 321.424 4.099 20 10 DICDRN c1cc(CN2CCCc3cc(OCc4ccccc4)ccc32)no1 ZINC000740878062 1050636348 /nfs/dbraw/zinc/63/63/48/1050636348.db2.gz OSYIMBQEICLVMG-UHFFFAOYSA-N 0 0 320.392 4.206 20 10 DICDRN C[C@H](N[C@@H](CCc1ccccc1)C(F)F)c1ccccc1O ZINC000845990425 1050640788 /nfs/dbraw/zinc/64/07/88/1050640788.db2.gz NSUPMVDGEKLFKA-BBRMVZONSA-N 0 0 305.368 4.309 20 10 DICDRN CCc1cccc(C[NH2+]Cc2cccc(Br)c2[O-])c1 ZINC000845964985 1050646540 /nfs/dbraw/zinc/64/65/40/1050646540.db2.gz OIDBSERZXWRJHP-UHFFFAOYSA-N 0 0 320.230 4.007 20 10 DICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000846055770 1050659856 /nfs/dbraw/zinc/65/98/56/1050659856.db2.gz 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/nfs/dbraw/zinc/67/89/20/1050678920.db2.gz UIWCJDGJOWWCJN-NSHDSACASA-N 0 0 323.339 4.484 20 10 DICDRN COc1cccc([C@H](C)Nc2ccc(Cl)c(OC)c2)c1O ZINC000846169337 1050680367 /nfs/dbraw/zinc/68/03/67/1050680367.db2.gz ZZQVSQSJYXIFHX-JTQLQIEISA-N 0 0 307.777 4.236 20 10 DICDRN C[C@H]([NH2+]CC[C@]1(C)C[C@@]1(F)Cl)c1cc(F)cc(F)c1[O-] ZINC000846184563 1050688003 /nfs/dbraw/zinc/68/80/03/1050688003.db2.gz LLOSBSGSFOPZQO-PCTYZZJISA-N 0 0 307.743 4.026 20 10 DICDRN Cc1csc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])n1 ZINC000788506840 1050694490 /nfs/dbraw/zinc/69/44/90/1050694490.db2.gz MJVJTFIENHFYOJ-VIFPVBQESA-N 0 0 316.348 4.027 20 10 DICDRN C[C@@H]([NH2+]CCC[C@@H]1CC1(Cl)Cl)c1ccc(F)cc1[O-] ZINC000846216974 1050696986 /nfs/dbraw/zinc/69/69/86/1050696986.db2.gz WZOABYPIVXGQPP-NXEZZACHSA-N 0 0 306.208 4.156 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC[C@H](C)C1 ZINC000741535096 1050699816 /nfs/dbraw/zinc/69/98/16/1050699816.db2.gz NSNCSCXTVZUGIS-FUHWJXTLSA-N 0 0 316.489 4.316 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC[C@@H](C)C1 ZINC000741535094 1050700644 /nfs/dbraw/zinc/70/06/44/1050700644.db2.gz NSNCSCXTVZUGIS-AEFFLSMTSA-N 0 0 316.489 4.316 20 10 DICDRN Cc1ccc(C)n1-c1ccc(-c2noc(-c3cnsc3)n2)cc1 ZINC001213627936 1050701299 /nfs/dbraw/zinc/70/12/99/1050701299.db2.gz QWVQXKAQRAPNEN-UHFFFAOYSA-N 0 0 322.393 4.268 20 10 DICDRN CSC1(C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])CC1 ZINC000788605115 1050712809 /nfs/dbraw/zinc/71/28/09/1050712809.db2.gz FQEPBBPFNVTSEO-QMMMGPOBSA-N 0 0 306.258 4.245 20 10 DICDRN CSC1(C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])CC1 ZINC000788605113 1050714360 /nfs/dbraw/zinc/71/43/60/1050714360.db2.gz FQEPBBPFNVTSEO-MRVPVSSYSA-N 0 0 306.258 4.245 20 10 DICDRN O=C(NCc1ccc(N2CCCC2)cc1)C1CCCCCCC1 ZINC000741670008 1050722548 /nfs/dbraw/zinc/72/25/48/1050722548.db2.gz XRDHZSTZFUXQJE-UHFFFAOYSA-N 0 0 314.473 4.264 20 10 DICDRN Nc1ccc(NC(=O)CCCc2ccc3c(c2)CCCC3)cc1 ZINC000846661674 1050740498 /nfs/dbraw/zinc/74/04/98/1050740498.db2.gz DXXUNLZZJNCHAM-UHFFFAOYSA-N 0 0 308.425 4.109 20 10 DICDRN C[C@H](NC(=O)[C@H]1CCCCC1(C)C)c1ccc(N(C)C)cc1 ZINC000788768316 1050740853 /nfs/dbraw/zinc/74/08/53/1050740853.db2.gz FCDFOLXLIMOATE-WMLDXEAASA-N 0 0 302.462 4.146 20 10 DICDRN C[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000788804126 1050749304 /nfs/dbraw/zinc/74/93/04/1050749304.db2.gz UQHYXEDUHBURAF-UWVGGRQHSA-N 0 0 323.305 4.497 20 10 DICDRN CCOc1ccc(CNc2cccc3c2OC(C)(C)C3)c(O)c1 ZINC000788973062 1050766866 /nfs/dbraw/zinc/76/68/66/1050766866.db2.gz MULNOJZVJYLTPT-UHFFFAOYSA-N 0 0 313.397 4.117 20 10 DICDRN Cc1cc(C(=O)NC2CC=CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC001144953283 1050770725 /nfs/dbraw/zinc/77/07/25/1050770725.db2.gz BPDGZEKBGNDIGA-UHFFFAOYSA-N 0 0 308.425 4.159 20 10 DICDRN CCOC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])C(C)C ZINC000788983751 1050770773 /nfs/dbraw/zinc/77/07/73/1050770773.db2.gz GLEPVRNRINDOMW-GXFFZTMASA-N 0 0 320.260 4.411 20 10 DICDRN CCN(CCCCOC(C)(C)C)c1ccc(OC)c(OC)c1 ZINC000789344468 1050819066 /nfs/dbraw/zinc/81/90/66/1050819066.db2.gz ZNZHXEDBFHHFOE-UHFFFAOYSA-N 0 0 309.450 4.125 20 10 DICDRN Cc1cc(N)ccc1Nc1ccc(Cc2ccc(N)cc2)cc1 ZINC001214119017 1050825521 /nfs/dbraw/zinc/82/55/21/1050825521.db2.gz DSDMLFXQZATHHC-UHFFFAOYSA-N 0 0 303.409 4.494 20 10 DICDRN Cc1nsc(NCc2ccc(N(C)C3CCCCC3)cc2)n1 ZINC000742397630 1050832359 /nfs/dbraw/zinc/83/23/59/1050832359.db2.gz RRSSUUJWCHXDNL-UHFFFAOYSA-N 0 0 316.474 4.228 20 10 DICDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)C1=CCCCC1 ZINC001146727157 1050837917 /nfs/dbraw/zinc/83/79/17/1050837917.db2.gz OMJWVLAIRKBAKZ-SFHVURJKSA-N 0 0 313.441 4.249 20 10 DICDRN COc1ccc(N(c2ccc(N)cc2)c2cc(F)ccc2N)cc1 ZINC001214211215 1050845796 /nfs/dbraw/zinc/84/57/96/1050845796.db2.gz IVZXOOMMFZCENK-UHFFFAOYSA-N 0 0 323.371 4.469 20 10 DICDRN Cc1ccc(O)c(N(c2ccc(N)cc2)c2ccc(N)cc2)c1 ZINC001214231295 1050851577 /nfs/dbraw/zinc/85/15/77/1050851577.db2.gz AYMLHJHPIYOBQD-UHFFFAOYSA-N 0 0 305.381 4.335 20 10 DICDRN O=C(CCCC1CCCC1)NCc1ccc(N2CCCC2)cc1 ZINC000742535875 1050878523 /nfs/dbraw/zinc/87/85/23/1050878523.db2.gz BVKXCCPZLBXWRT-UHFFFAOYSA-N 0 0 314.473 4.264 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCC1CCCC1 ZINC000742590592 1050895619 /nfs/dbraw/zinc/89/56/19/1050895619.db2.gz VJRGOMDXVVXLLP-UHFFFAOYSA-N 0 0 316.489 4.462 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H]2C(C)C)cc1 ZINC001147894454 1050907297 /nfs/dbraw/zinc/90/72/97/1050907297.db2.gz GFXCLQZCRMERFI-LJQANCHMSA-N 0 0 310.441 4.355 20 10 DICDRN O=C1/C(=C\c2cccs2)SC(=S)N1c1ccsc1 ZINC000790110764 1050911929 /nfs/dbraw/zinc/91/19/29/1050911929.db2.gz PKBCNNJKBCZGDM-UXBLZVDNSA-N 0 0 309.462 4.215 20 10 DICDRN Nc1ccc(Cc2ccccc2Nc2cccc(F)c2CO)cc1 ZINC001214619166 1050963673 /nfs/dbraw/zinc/96/36/73/1050963673.db2.gz RWQXQUCFDQVFKA-UHFFFAOYSA-N 0 0 322.383 4.235 20 10 DICDRN CO[C@H]1CCOc2c(N[C@H](C)c3ccc(F)cc3O)cccc21 ZINC000790501190 1050965277 /nfs/dbraw/zinc/96/52/77/1050965277.db2.gz UYZAMFHEVNPBBD-DIFFPNOSSA-N 0 0 317.360 4.174 20 10 DICDRN OCc1c(Cl)cccc1Nc1nc(-c2ccncc2)cs1 ZINC001214641583 1050969321 /nfs/dbraw/zinc/96/93/21/1050969321.db2.gz QZALINAYMVQGJK-UHFFFAOYSA-N 0 0 317.801 4.094 20 10 DICDRN Cc1cccc([C@@H](C)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000772995358 1050978030 /nfs/dbraw/zinc/97/80/30/1050978030.db2.gz APZXNQICHNOLON-CVEARBPZSA-N 0 0 310.441 4.042 20 10 DICDRN CC(C)[C@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])C(C)(C)O ZINC000790701691 1050986447 /nfs/dbraw/zinc/98/64/47/1050986447.db2.gz MCBLQIKPEYMLDI-XPTSAGLGSA-N 0 0 320.260 4.145 20 10 DICDRN CC(C)=CC[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000790697322 1050986496 /nfs/dbraw/zinc/98/64/96/1050986496.db2.gz IVCDAPIRJMYFSN-SECBINFHSA-N 0 0 318.642 4.425 20 10 DICDRN CC[C@H](C)n1ncc(N[C@H](C)c2cc(OC)ccc2O)c1C ZINC000790740185 1050990236 /nfs/dbraw/zinc/99/02/36/1050990236.db2.gz GASWOCQNAXJXES-NWDGAFQWSA-N 0 0 303.406 4.050 20 10 DICDRN CSc1ccc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)cc1 ZINC000790956502 1051009450 /nfs/dbraw/zinc/00/94/50/1051009450.db2.gz RFISZIGJKSJQFK-UHFFFAOYSA-N 0 0 311.809 4.196 20 10 DICDRN C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790962899 1051009998 /nfs/dbraw/zinc/00/99/98/1051009998.db2.gz VVZIRQSXQQKENC-DYZYQPBXSA-N 0 0 305.780 4.208 20 10 DICDRN C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790960638 1051010603 /nfs/dbraw/zinc/01/06/03/1051010603.db2.gz YRCQEVMYGDGSKE-NSHDSACASA-N 0 0 323.795 4.001 20 10 DICDRN CC(C)([NH2+]Cc1c([O-])ccc(Cl)c1F)c1ccc(F)cc1 ZINC000790958891 1051011104 /nfs/dbraw/zinc/01/11/04/1051011104.db2.gz BWYFWYJMONXTSI-UHFFFAOYSA-N 0 0 311.759 4.349 20 10 DICDRN COc1cc(C)c(NCc2c(O)ccc(Cl)c2F)cc1F ZINC000790989929 1051012606 /nfs/dbraw/zinc/01/26/06/1051012606.db2.gz GANGKJCUAQRIAG-UHFFFAOYSA-N 0 0 313.731 4.253 20 10 DICDRN CO[C@H]1CCOc2c(NCc3cccc(Cl)c3O)cccc21 ZINC000790942612 1051012950 /nfs/dbraw/zinc/01/29/50/1051012950.db2.gz ADGZXVAUAOZPAA-HNNXBMFYSA-N 0 0 319.788 4.128 20 10 DICDRN Cc1cc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)ccc1Cl ZINC000790985841 1051013640 /nfs/dbraw/zinc/01/36/40/1051013640.db2.gz FXGJIXVPNDUNCP-UHFFFAOYSA-N 0 0 314.187 4.436 20 10 DICDRN c1cn(-c2ccccc2)c(CNc2ccccc2OCC2CC2)n1 ZINC000790971117 1051013685 /nfs/dbraw/zinc/01/36/85/1051013685.db2.gz PYZGGHZJMGNIDD-UHFFFAOYSA-N 0 0 319.408 4.273 20 10 DICDRN CCCCC[C@@H](C)CC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000743335315 1051014706 /nfs/dbraw/zinc/01/47/06/1051014706.db2.gz QMMWERBUZYNDGI-KGLIPLIRSA-N 0 0 307.434 4.185 20 10 DICDRN Cc1ccc(CCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000773001586 1051014853 /nfs/dbraw/zinc/01/48/53/1051014853.db2.gz VJMLGBKCOJYFSP-KRWDZBQOSA-N 0 0 324.468 4.179 20 10 DICDRN Cc1ccc(C[C@H](C)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000773001649 1051014971 /nfs/dbraw/zinc/01/49/71/1051014971.db2.gz VVGQCYSIDURUMN-IRXDYDNUSA-N 0 0 324.468 4.117 20 10 DICDRN Cc1ccc(C[C@@H](C)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000773001650 1051015514 /nfs/dbraw/zinc/01/55/14/1051015514.db2.gz VVGQCYSIDURUMN-SJORKVTESA-N 0 0 324.468 4.117 20 10 DICDRN C[C@@H](NC(=O)c1ccc(F)cc1Cl)c1ccc(N(C)C)cc1 ZINC000773004843 1051017385 /nfs/dbraw/zinc/01/73/85/1051017385.db2.gz BCKDVZAQWVLMCN-LLVKDONJSA-N 0 0 320.795 4.036 20 10 DICDRN CC(C)CCn1ccc(NCc2c(O)ccc(Cl)c2F)n1 ZINC000790978121 1051018978 /nfs/dbraw/zinc/01/89/78/1051018978.db2.gz YNUNSIJEYZUOGL-UHFFFAOYSA-N 0 0 311.788 4.039 20 10 DICDRN Oc1ccc(Cl)c(F)c1CNc1ccc2c(c1)CCCO2 ZINC000790979646 1051019206 /nfs/dbraw/zinc/01/92/06/1051019206.db2.gz WRTQIJYUNUZKEG-UHFFFAOYSA-N 0 0 307.752 4.122 20 10 DICDRN C[C@@H](NC(=O)C1CCC(C)(C)CC1)c1ccc(N(C)C)cc1 ZINC000773008057 1051019333 /nfs/dbraw/zinc/01/93/33/1051019333.db2.gz BJBHBPYNBNNCLK-CQSZACIVSA-N 0 0 302.462 4.146 20 10 DICDRN C[C@H](NC(=O)CC/C=C\c1ccccc1)c1ccc(N(C)C)cc1 ZINC000773011200 1051020785 /nfs/dbraw/zinc/02/07/85/1051020785.db2.gz DJVSUOHJFWUECD-GJBHZFNWSA-N 0 0 322.452 4.423 20 10 DICDRN Oc1cc2c(cc1CN(Cc1ccccc1)CC(F)F)CCC2 ZINC000743398518 1051023067 /nfs/dbraw/zinc/02/30/67/1051023067.db2.gz XPNOGHAGLKKJGX-UHFFFAOYSA-N 0 0 317.379 4.148 20 10 DICDRN C[C@@H](NC(=O)[C@H]1CCCC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000773018534 1051023173 /nfs/dbraw/zinc/02/31/73/1051023173.db2.gz VWTMTVCGGVNMFF-ZBFHGGJFSA-N 0 0 302.462 4.146 20 10 DICDRN Oc1cccc(Nc2ccc(Cl)c(OC(F)(F)F)c2)c1O ZINC001214905411 1051023308 /nfs/dbraw/zinc/02/33/08/1051023308.db2.gz PHSBYFWETSIQGS-UHFFFAOYSA-N 0 0 319.666 4.393 20 10 DICDRN CC[C@@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000773021047 1051026646 /nfs/dbraw/zinc/02/66/46/1051026646.db2.gz QXUHAWCJXBTCSJ-HNAYVOBHSA-N 0 0 310.441 4.124 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCCC[C@@H]1C ZINC000791124786 1051027226 /nfs/dbraw/zinc/02/72/26/1051027226.db2.gz VNDULYDFGXHOSW-LBPRGKRZSA-N 0 0 302.443 4.170 20 10 DICDRN C[C@@H](NC(=O)c1ccc(Cl)cc1F)c1ccc(N(C)C)cc1 ZINC000773024001 1051028941 /nfs/dbraw/zinc/02/89/41/1051028941.db2.gz ZFRLCWXKHSFLQK-LLVKDONJSA-N 0 0 320.795 4.036 20 10 DICDRN Cc1cccc([C@H]2CCCN2C(=O)C2=CC(=O)CS2)c1C ZINC000743504103 1051036851 /nfs/dbraw/zinc/03/68/51/1051036851.db2.gz 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/nfs/dbraw/zinc/09/06/76/1051090676.db2.gz APCDQXJYKNOXBS-UHFFFAOYSA-N 0 0 305.337 4.002 20 10 DICDRN Oc1cc2ccccc2cc1CNc1ncccc1C(F)F ZINC001171403061 1051090875 /nfs/dbraw/zinc/09/08/75/1051090875.db2.gz YBNPPZACLHMCEZ-UHFFFAOYSA-N 0 0 300.308 4.490 20 10 DICDRN Oc1cc2ccccc2cc1CNc1ccc2cnccc2n1 ZINC001171406985 1051093478 /nfs/dbraw/zinc/09/34/78/1051093478.db2.gz IGSMXEJBCJUJSG-UHFFFAOYSA-N 0 0 301.349 4.101 20 10 DICDRN Oc1cc2ccccc2cc1CNc1ccc(C(F)F)cn1 ZINC001171406712 1051093596 /nfs/dbraw/zinc/09/35/96/1051093596.db2.gz CYDGJVAFHQJXBJ-UHFFFAOYSA-N 0 0 300.308 4.490 20 10 DICDRN CCc1c(NCc2cccc(C)c2O)cnn1C(CC)CC ZINC000792192447 1051126493 /nfs/dbraw/zinc/12/64/93/1051126493.db2.gz KMJNIQHNCQNJQW-UHFFFAOYSA-N 0 0 301.434 4.433 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1csc(C)c1C ZINC000773289384 1051128490 /nfs/dbraw/zinc/12/84/90/1051128490.db2.gz AOOLBKYKTOYQJJ-UHFFFAOYSA-N 0 0 316.470 4.093 20 10 DICDRN Cc1ccc(F)c(Nc2nc(-c3ccc(O)c(O)c3)cs2)c1 ZINC000744261700 1051141464 /nfs/dbraw/zinc/14/14/64/1051141464.db2.gz CMKPKUVNDXOGSM-UHFFFAOYSA-N 0 0 316.357 4.412 20 10 DICDRN Cc1cccc(C)c1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000744358062 1051166244 /nfs/dbraw/zinc/16/62/44/1051166244.db2.gz FBKHWPNJJJRSSC-UHFFFAOYSA-N 0 0 322.452 4.174 20 10 DICDRN CC[C@@H](C)[C@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000744382750 1051171502 /nfs/dbraw/zinc/17/15/02/1051171502.db2.gz FIFJVUMBHHWNPA-UZLBHIALSA-N 0 0 324.468 4.199 20 10 DICDRN Cc1nc(-c2noc(-c3ccc(-n4cccc4)cc3)n2)ccc1F ZINC001215391148 1051184503 /nfs/dbraw/zinc/18/45/03/1051184503.db2.gz FNEOIRPCHQJWLO-UHFFFAOYSA-N 0 0 320.327 4.037 20 10 DICDRN COCc1ccc(CN(CC2CC2)c2ccc(OC)cc2)cc1 ZINC001170412319 1051202934 /nfs/dbraw/zinc/20/29/34/1051202934.db2.gz QPZKCISEVZQFCU-UHFFFAOYSA-N 0 0 311.425 4.258 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1cccnc1C ZINC000744773395 1051203685 /nfs/dbraw/zinc/20/36/85/1051203685.db2.gz DEIXOWFYJHDEED-UHFFFAOYSA-N 0 0 319.408 4.358 20 10 DICDRN Cc1cccc(NC(=O)N[C@H](C)c2ccccc2O)c1Cl ZINC001215472665 1051212751 /nfs/dbraw/zinc/21/27/51/1051212751.db2.gz MJQYBMRISCBTSB-LLVKDONJSA-N 0 0 304.777 4.237 20 10 DICDRN C[C@@]12CC[N@H+](Cc3cccc(Cl)c3[O-])C[C@@H]1C2(Cl)Cl ZINC000793610133 1051325532 /nfs/dbraw/zinc/32/55/32/1051325532.db2.gz BIQMLHSOTUTFKD-WCQYABFASA-N 0 0 320.647 4.061 20 10 DICDRN COc1ccc(N(CC(C)C)C[C@H](O)c2cccc(F)c2)cc1 ZINC000746169872 1051334644 /nfs/dbraw/zinc/33/46/44/1051334644.db2.gz CEHFXSIJRVQERQ-IBGZPJMESA-N 0 0 317.404 4.030 20 10 DICDRN Cc1cc(OCc2ccccc2)ncc1Nc1cccc(O)c1O ZINC001215779467 1051364729 /nfs/dbraw/zinc/36/47/29/1051364729.db2.gz KYQOSEXEWQDLHH-UHFFFAOYSA-N 0 0 322.364 4.124 20 10 DICDRN CC[C@H]([NH2+]CCc1ccc(F)c(F)c1)c1ccc(F)cc1[O-] ZINC000796963027 1051367124 /nfs/dbraw/zinc/36/71/24/1051367124.db2.gz XEYYOKOZPZTPLQ-INIZCTEOSA-N 0 0 309.331 4.093 20 10 DICDRN CCCCCC[C@@H](CC)C(=O)NCc1ccc(OC)cc1O ZINC000794383875 1051373194 /nfs/dbraw/zinc/37/31/94/1051373194.db2.gz RPOJMAFKHWVEQA-CQSZACIVSA-N 0 0 307.434 4.014 20 10 DICDRN Cc1cc(-c2ccccc2)ccc1NC(=O)Cc1ccc(N)cc1 ZINC000746403892 1051397208 /nfs/dbraw/zinc/39/72/08/1051397208.db2.gz QRWOQSBBVCPGNZ-UHFFFAOYSA-N 0 0 316.404 4.425 20 10 DICDRN Nc1ccc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)cc1 ZINC000746478955 1051434158 /nfs/dbraw/zinc/43/41/58/1051434158.db2.gz FEGAOIDXOQNEKT-UHFFFAOYSA-N 0 0 322.389 4.142 20 10 DICDRN CC[C@H]1CCCCN1C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000255939631 1051478885 /nfs/dbraw/zinc/47/88/85/1051478885.db2.gz MMYQFYHYJUYIDB-SFHVURJKSA-N 0 0 310.441 4.499 20 10 DICDRN c1ccc2c(c1)cccc2-c1noc(-c2nnsc2C2CC2)n1 ZINC001212679620 1051494088 /nfs/dbraw/zinc/49/40/88/1051494088.db2.gz LSASYIDAYXAAOR-UHFFFAOYSA-N 0 0 320.377 4.286 20 10 DICDRN CC(C)c1ccc(-c2noc(-c3nnsc3C3CC3)n2)cc1 ZINC001212679721 1051494156 /nfs/dbraw/zinc/49/41/56/1051494156.db2.gz QOWQJDJUQIRUTJ-UHFFFAOYSA-N 0 0 312.398 4.256 20 10 DICDRN CC(C)c1snnc1-c1nc(-c2ccc(F)cc2Cl)no1 ZINC001212686381 1051530248 /nfs/dbraw/zinc/53/02/48/1051530248.db2.gz NHXYCNGHFHCCRR-UHFFFAOYSA-N 0 0 324.768 4.171 20 10 DICDRN CCC(CC)[C@@H](C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001129819688 1051533567 /nfs/dbraw/zinc/53/35/67/1051533567.db2.gz KTNSNFMMWOPBDL-JKSUJKDBSA-N 0 0 318.505 4.181 20 10 DICDRN Cc1cc(-c2noc(-c3nnsc3C(C)C)n2)ccc1Cl ZINC001212687514 1051535322 /nfs/dbraw/zinc/53/53/22/1051535322.db2.gz XLJPCXKURUWTRG-UHFFFAOYSA-N 0 0 320.805 4.340 20 10 DICDRN Cc1ncsc1/C=C/C(=O)N(CC(C)C)c1ccc(C)cc1 ZINC001129859592 1051543823 /nfs/dbraw/zinc/54/38/23/1051543823.db2.gz IDXWSPPKWQSZOQ-MDZDMXLPSA-N 0 0 314.454 4.462 20 10 DICDRN Cc1cc(N(c2ccc(N)cc2)c2ccc(N)cc2)cc(O)c1F ZINC001216083046 1051569019 /nfs/dbraw/zinc/56/90/19/1051569019.db2.gz LVCHRNCTAYCUOC-UHFFFAOYSA-N 0 0 323.371 4.474 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001626885973 1051577578 /nfs/dbraw/zinc/57/75/78/1051577578.db2.gz TYNBDNGWFCDPNZ-VQFNDLOPSA-N 0 0 316.489 4.173 20 10 DICDRN COc1ccc(N(CC(C)C)C(=O)/C=C\c2cnccc2C)cc1 ZINC001130017903 1051593397 /nfs/dbraw/zinc/59/33/97/1051593397.db2.gz CMTPTLLMAGZERO-YHYXMXQVSA-N 0 0 324.424 4.101 20 10 DICDRN Cc1c(F)cncc1N(Cc1ccccc1)c1ccc(N)cc1 ZINC001216195057 1051624696 /nfs/dbraw/zinc/62/46/96/1051624696.db2.gz BDRSZXZGBSKDHD-UHFFFAOYSA-N 0 0 307.372 4.450 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC2=CCCCC2)cc1 ZINC001129332036 1051627448 /nfs/dbraw/zinc/62/74/48/1051627448.db2.gz DKAJPAAHROYGKC-UHFFFAOYSA-N 0 0 308.425 4.324 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)c2cnccc2C)cc1 ZINC000766832767 1051699873 /nfs/dbraw/zinc/69/98/73/1051699873.db2.gz QQSRDDFHUKJGSY-UHFFFAOYSA-N 0 0 319.408 4.074 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H](C)COC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806132867 1051733358 /nfs/dbraw/zinc/73/33/58/1051733358.db2.gz BVNATNALCIHKTL-NOZJJQNGSA-N 0 0 306.233 4.022 20 10 DICDRN CC[C@H]([NH2+]Cc1cscn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806134706 1051734403 /nfs/dbraw/zinc/73/44/03/1051734403.db2.gz AVIXCAHJLQIPRQ-LBPRGKRZSA-N 0 0 317.241 4.396 20 10 DICDRN CC[C@@H]([NH2+]Cc1cscn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806134703 1051735353 /nfs/dbraw/zinc/73/53/53/1051735353.db2.gz AVIXCAHJLQIPRQ-GFCCVEGCSA-N 0 0 317.241 4.396 20 10 DICDRN CC[C@@H]([NH2+]Cc1cccc(N(C)C)c1)c1cccc(Cl)c1[O-] ZINC000806137588 1051737749 /nfs/dbraw/zinc/73/77/49/1051737749.db2.gz LNQLAGZMTITJNA-QGZVFWFLSA-N 0 0 318.848 4.353 20 10 DICDRN CCc1nc(C[NH2+][C@@H](CC)c2cccc(Cl)c2[O-])cs1 ZINC000806138676 1051739560 /nfs/dbraw/zinc/73/95/60/1051739560.db2.gz ZFFKVRRFEJWYOZ-ZDUSSCGKSA-N 0 0 310.850 4.305 20 10 DICDRN CC[C@H]([NH2+][C@H](C)CCOC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806138247 1051740028 /nfs/dbraw/zinc/74/00/28/1051740028.db2.gz XNPRRVLOWPZZEH-RNCFNFMXSA-N 0 0 306.233 4.165 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)CCOC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806138248 1051740235 /nfs/dbraw/zinc/74/02/35/1051740235.db2.gz XNPRRVLOWPZZEH-TVQRCGJNSA-N 0 0 306.233 4.165 20 10 DICDRN CC[C@@H]([NH2+]C[C@@H](CC(C)C)N(C)C)c1cccc(Cl)c1[O-] ZINC000806129861 1051745152 /nfs/dbraw/zinc/74/51/52/1051745152.db2.gz LGJOGBVFIBYXNK-CZUORRHYSA-N 0 0 312.885 4.063 20 10 DICDRN CC[C@H]([NH2+]CCc1nc(C)cs1)c1cccc(Cl)c1[O-] ZINC000806130743 1051745166 /nfs/dbraw/zinc/74/51/66/1051745166.db2.gz BRPDSMAPMCJIIB-ZDUSSCGKSA-N 0 0 310.850 4.094 20 10 DICDRN CC[C@@H]([NH2+]CCCSC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806140708 1051747676 /nfs/dbraw/zinc/74/76/76/1051747676.db2.gz MDOJECAGKRWRGP-GFCCVEGCSA-N 0 0 308.274 4.493 20 10 DICDRN CC[C@H]([NH2+]C[C@@](C)(O)CCC(C)C)c1cccc(Cl)c1[O-] ZINC000806141441 1051750214 /nfs/dbraw/zinc/75/02/14/1051750214.db2.gz SSWXYDZQKUZHBD-RDJZCZTQSA-N 0 0 313.869 4.274 20 10 DICDRN CC[C@H](CCO)C[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806144844 1051752236 /nfs/dbraw/zinc/75/22/36/1051752236.db2.gz VZUVJVORBGEPJS-YGRLFVJLSA-N 0 0 320.260 4.148 20 10 DICDRN CC(=O)[C@@H](Cc1ccc(Cl)cc1F)Sc1nccs1 ZINC000767061427 1051752209 /nfs/dbraw/zinc/75/22/09/1051752209.db2.gz IPGUHVXAQQKOBR-GFCCVEGCSA-N 0 0 315.822 4.228 20 10 DICDRN CC[C@@H]([NH2+]CCOCc1ccccc1)c1cccc(Cl)c1[O-] ZINC000806143936 1051752898 /nfs/dbraw/zinc/75/28/98/1051752898.db2.gz XJZZPVKBPIBELE-QGZVFWFLSA-N 0 0 319.832 4.303 20 10 DICDRN CC[C@@H]([NH2+]CCC[C@@H](C)CO)c1cc(Cl)cc(Cl)c1[O-] ZINC000806150651 1051754506 /nfs/dbraw/zinc/75/45/06/1051754506.db2.gz XFUOIHNFJCNHAC-QMTHXVAHSA-N 0 0 320.260 4.148 20 10 DICDRN CC[C@@H]([NH2+]Cc1ccc2c(c1)COC2)c1cccc(Cl)c1[O-] ZINC000806148848 1051754984 /nfs/dbraw/zinc/75/49/84/1051754984.db2.gz LFQVHELIEDHWBH-QGZVFWFLSA-N 0 0 317.816 4.317 20 10 DICDRN COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)C2CCCCC2)c1 ZINC000767085617 1051757892 /nfs/dbraw/zinc/75/78/92/1051757892.db2.gz BQUSXCHSUYGJJP-CYBMUJFWSA-N 0 0 319.445 4.185 20 10 DICDRN CC[C@H]([NH2+]CC[C@H]1CCO[C@@H](C)C1)c1cccc(Cl)c1[O-] ZINC000806158568 1051760167 /nfs/dbraw/zinc/76/01/67/1051760167.db2.gz MKEHUWDZNJKULP-XEZPLFJOSA-N 0 0 311.853 4.292 20 10 DICDRN CC[C@@H]([NH2+]CC1(OC)CCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806158373 1051760448 /nfs/dbraw/zinc/76/04/48/1051760448.db2.gz LFNXJJITNYSGJC-CYBMUJFWSA-N 0 0 318.244 4.309 20 10 DICDRN CC[C@@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1cccc(Cl)c1[O-] ZINC000806158961 1051761203 /nfs/dbraw/zinc/76/12/03/1051761203.db2.gz VBRBVXOLKBZRGD-ZIAGYGMSSA-N 0 0 311.853 4.432 20 10 DICDRN CC[C@H]([NH2+]C[C@@]1(C)CCO[C@H]1C1CC1)c1cccc(Cl)c1[O-] ZINC000806157942 1051761264 /nfs/dbraw/zinc/76/12/64/1051761264.db2.gz CELDTTNXJNHHSD-RYQLBKOJSA-N 0 0 323.864 4.292 20 10 DICDRN CC[C@H]([NH2+]C1Cc2ccccc2C1)c1cccc(Cl)c1[O-] ZINC000806159762 1051763749 /nfs/dbraw/zinc/76/37/49/1051763749.db2.gz LXVJGGMGNJUGSM-KRWDZBQOSA-N 0 0 301.817 4.254 20 10 DICDRN CC[C@H](Nc1cnn(C)c1C1CC1)c1cccc(Cl)c1O ZINC000806159647 1051763870 /nfs/dbraw/zinc/76/38/70/1051763870.db2.gz LAWPXTBAKMVDOM-ZDUSSCGKSA-N 0 0 305.809 4.220 20 10 DICDRN Nc1ccc(N(c2ccccc2)c2cc(F)cc(CO)c2)cc1 ZINC001212749016 1051766839 /nfs/dbraw/zinc/76/68/39/1051766839.db2.gz OVQXCKVBFOBQKT-UHFFFAOYSA-N 0 0 308.356 4.370 20 10 DICDRN Cc1cnc(N(C)Cc2ccc(N3CCCCC3)cc2)s1 ZINC000767168872 1051767572 /nfs/dbraw/zinc/76/75/72/1051767572.db2.gz PGBROCSPHNTYGV-UHFFFAOYSA-N 0 0 301.459 4.078 20 10 DICDRN CC(C)Cn1ncc(N[C@H](C)c2ccc(F)cc2O)c1C1CC1 ZINC000806180474 1051768565 /nfs/dbraw/zinc/76/85/65/1051768565.db2.gz DJXAYNVOQCSRHC-GFCCVEGCSA-N 0 0 317.408 4.434 20 10 DICDRN CCCCOc1ccccc1/C=C1/SC(=S)N(CC)C1=O ZINC000767341061 1051789328 /nfs/dbraw/zinc/78/93/28/1051789328.db2.gz OXCJYRJNYCAGCB-SDNWHVSQSA-N 0 0 321.467 4.087 20 10 DICDRN COc1ccc(Nc2ccccc2C(=O)c2ccncc2)cc1 ZINC001173806520 1051813013 /nfs/dbraw/zinc/81/30/13/1051813013.db2.gz BAJBXLANIMLDAV-UHFFFAOYSA-N 0 0 304.349 4.065 20 10 DICDRN C[C@@H](N[C@@H](C)c1ccc(N2CCCCC2)cc1)C(F)(F)F ZINC000806661117 1051834101 /nfs/dbraw/zinc/83/41/01/1051834101.db2.gz XVENGUJSVHAJIO-QWHCGFSZSA-N 0 0 300.368 4.278 20 10 DICDRN C[C@@H](N[C@@H](C)C(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000806661116 1051834815 /nfs/dbraw/zinc/83/48/15/1051834815.db2.gz XVENGUJSVHAJIO-OLZOCXBDSA-N 0 0 300.368 4.278 20 10 DICDRN CCOc1cccc(CNc2cc(C)c(OC)cc2C)c1O ZINC000767738457 1051843459 /nfs/dbraw/zinc/84/34/59/1051843459.db2.gz KOUPIYTWBFAFGT-UHFFFAOYSA-N 0 0 301.386 4.028 20 10 DICDRN C[C@H](N[C@@H](C1CC1)C(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000806663526 1051843944 /nfs/dbraw/zinc/84/39/44/1051843944.db2.gz XLCWBOLJTVHGTK-QFYYESIMSA-N 0 0 313.363 4.263 20 10 DICDRN Nc1ccc(OC(=O)c2ccc(Nc3cccc(F)c3)cc2)cc1 ZINC001173837654 1051854358 /nfs/dbraw/zinc/85/43/58/1051854358.db2.gz FPWVMLGAVZXXGI-UHFFFAOYSA-N 0 0 322.339 4.371 20 10 DICDRN CCCCC[C@H](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000742496195 1051866548 /nfs/dbraw/zinc/86/65/48/1051866548.db2.gz YBJSEUVVNOLCSU-INIZCTEOSA-N 0 0 304.478 4.318 20 10 DICDRN Cc1cc(=O)[nH]c([C@H](C)Sc2ncc(C(C)(C)C)s2)n1 ZINC000768399991 1051925528 /nfs/dbraw/zinc/92/55/28/1051925528.db2.gz HENVXKUVUPWVLR-VIFPVBQESA-N 0 0 309.460 4.098 20 10 DICDRN Cc1cc(C(=O)N(C)Cc2ccc[nH]2)c(C)n1-c1ccccc1C ZINC000747421198 1051927690 /nfs/dbraw/zinc/92/76/90/1051927690.db2.gz RZUQEWIMIBDSME-UHFFFAOYSA-N 0 0 321.424 4.003 20 10 DICDRN Brc1ccccc1OCCSc1nccs1 ZINC000768424727 1051928999 /nfs/dbraw/zinc/92/89/99/1051928999.db2.gz QRUNOFLQTDIHLP-UHFFFAOYSA-N 0 0 316.245 4.077 20 10 DICDRN O=C(/C=C\c1cccnc1)N1CCCCc2cc(Cl)ccc21 ZINC001131058402 1051931423 /nfs/dbraw/zinc/93/14/23/1051931423.db2.gz AXFNUIVYUOUUKM-TWGQIWQCSA-N 0 0 312.800 4.118 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CCCc2sccc21 ZINC000768530263 1051938511 /nfs/dbraw/zinc/93/85/11/1051938511.db2.gz GOGYQTWAMLPHPB-ZDUSSCGKSA-N 0 0 311.809 4.413 20 10 DICDRN COCC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CCCC1 ZINC000768579134 1051945812 /nfs/dbraw/zinc/94/58/12/1051945812.db2.gz CXUNRSUMIRKEDX-UHFFFAOYSA-N 0 0 318.244 4.090 20 10 DICDRN Oc1ccc(CNc2cc3cc[nH]c3cc2C(F)(F)F)cc1O ZINC001169994919 1051959722 /nfs/dbraw/zinc/95/97/22/1051959722.db2.gz MHFUJOUPSFVACJ-UHFFFAOYSA-N 0 0 322.286 4.210 20 10 DICDRN Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)oc1C ZINC000768926797 1051980497 /nfs/dbraw/zinc/98/04/97/1051980497.db2.gz YSDJSOGCIDRACK-UHFFFAOYSA-N 0 0 314.429 4.013 20 10 DICDRN COc1ccc(N(c2ccc(N)cc2)c2cnccc2C)cc1 ZINC001174117874 1051989921 /nfs/dbraw/zinc/98/99/21/1051989921.db2.gz LSDVVLNZCFROLI-UHFFFAOYSA-N 0 0 305.381 4.451 20 10 DICDRN C[C@H]1CN(Cc2cc(Cl)ccc2O)C[C@H](c2ccccc2)O1 ZINC000769103808 1052000819 /nfs/dbraw/zinc/00/08/19/1052000819.db2.gz CEQJBKRXEYXPGW-SCLBCKFNSA-N 0 0 317.816 4.008 20 10 DICDRN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H](C)S1 ZINC000769142023 1052002301 /nfs/dbraw/zinc/00/23/01/1052002301.db2.gz RTFRAIUOJFDVLU-DTORHVGOSA-N 0 0 306.258 4.025 20 10 DICDRN COc1cc(F)ccc1N(c1ccc(N)cc1)c1ccc(N)cc1 ZINC001174131215 1052008634 /nfs/dbraw/zinc/00/86/34/1052008634.db2.gz MXHBTDZAKLKFKQ-UHFFFAOYSA-N 0 0 323.371 4.469 20 10 DICDRN COc1ccc(N(c2ccc(N)cc2)c2ccc(N)cc2)c(F)c1 ZINC001174146806 1052018434 /nfs/dbraw/zinc/01/84/34/1052018434.db2.gz VDGVNORFOVBFGY-UHFFFAOYSA-N 0 0 323.371 4.469 20 10 DICDRN C[C@H](Oc1ccccc1NCc1ccccc1O)C(F)(F)F ZINC000808438679 1052020063 /nfs/dbraw/zinc/02/00/63/1052020063.db2.gz KKNOSPVHQGDJHK-NSHDSACASA-N 0 0 311.303 4.334 20 10 DICDRN C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000808443771 1052022746 /nfs/dbraw/zinc/02/27/46/1052022746.db2.gz GQSWFZTZGYWFDY-BJOHPYRUSA-N 0 0 324.207 4.311 20 10 DICDRN Oc1ccc(-c2ccccc2)cc1CN[C@@H]1CCCC1(F)F ZINC000808431357 1052031286 /nfs/dbraw/zinc/03/12/86/1052031286.db2.gz GOKUEKUVUBTNTR-QGZVFWFLSA-N 0 0 303.352 4.337 20 10 DICDRN C[C@@H](NC(=O)c1cc(C2CC2)oc1C1CC1)c1ccccc1O ZINC000828539526 1052039334 /nfs/dbraw/zinc/03/93/34/1052039334.db2.gz PSSDCBCVDAVUEG-LLVKDONJSA-N 0 0 311.381 4.231 20 10 DICDRN Cc1cccc(C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000769481111 1052051672 /nfs/dbraw/zinc/05/16/72/1052051672.db2.gz RTIQRMIXWKOFRI-UHFFFAOYSA-N 0 0 311.212 4.034 20 10 DICDRN Cc1n[nH]c(C)c1Nc1ccc(CCc2ccc(N)cc2)cc1 ZINC001174213942 1052054833 /nfs/dbraw/zinc/05/48/33/1052054833.db2.gz BIIIKQRECKSYMR-UHFFFAOYSA-N 0 0 306.413 4.138 20 10 DICDRN COc1cccc(O)c1C[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000769456063 1052058295 /nfs/dbraw/zinc/05/82/95/1052058295.db2.gz GSWALPYGDLYVNY-GUYCJALGSA-N 0 0 315.388 4.123 20 10 DICDRN CSCC[C@H](C)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769462326 1052061635 /nfs/dbraw/zinc/06/16/35/1052061635.db2.gz FELGCCMBQDVDEK-VIFPVBQESA-N 0 0 308.274 4.272 20 10 DICDRN CN(c1ccc(N)cc1)c1ccc(C(=O)c2ccccc2)cc1 ZINC001174225318 1052061875 /nfs/dbraw/zinc/06/18/75/1052061875.db2.gz DIZWCYHGXHGHKN-UHFFFAOYSA-N 0 0 302.377 4.268 20 10 DICDRN CCC[C@@H](CC1CCCC1)C(=O)NCc1cccc(OC)c1O ZINC000769508000 1052071384 /nfs/dbraw/zinc/07/13/84/1052071384.db2.gz LCSTYHQZTAYZGX-HNNXBMFYSA-N 0 0 319.445 4.014 20 10 DICDRN CSC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769516791 1052072682 /nfs/dbraw/zinc/07/26/82/1052072682.db2.gz RFSLCDPKQHEEOK-NSHDSACASA-N 0 0 306.258 4.026 20 10 DICDRN Cc1cc(Cl)cc([C@H](C)Nc2ccc3c(c2)ncn3C)c1O ZINC000808714362 1052075032 /nfs/dbraw/zinc/07/50/32/1052075032.db2.gz VRLCZEQEQBLJJD-NSHDSACASA-N 0 0 315.804 4.414 20 10 DICDRN CC(C)[C@H]1CCC[C@H](NC(=O)N(C)Cc2ccccc2O)CC1 ZINC000769534158 1052075586 /nfs/dbraw/zinc/07/55/86/1052075586.db2.gz HJLQRXSHTSILIU-RDJZCZTQSA-N 0 0 318.461 4.139 20 10 DICDRN CC[C@H]([NH2+][C@@H](C)[C@H](O)c1ccccc1)c1cccc(Cl)c1[O-] ZINC000808720405 1052078940 /nfs/dbraw/zinc/07/89/40/1052078940.db2.gz UUTIMMAYTMYFBJ-ZLIFDBKOSA-N 0 0 319.832 4.208 20 10 DICDRN Cc1cc(Cl)cc([C@H](C)Nc2cccc3c2CCO3)c1O ZINC000808719770 1052080092 /nfs/dbraw/zinc/08/00/92/1052080092.db2.gz ZOSSDOLEZZODKM-NSHDSACASA-N 0 0 303.789 4.462 20 10 DICDRN CCOCC(C)(C)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000808725469 1052081211 /nfs/dbraw/zinc/08/12/11/1052081211.db2.gz SPXGEGRSOGRPKK-JTQLQIEISA-N 0 0 320.260 4.412 20 10 DICDRN Nc1ccc(N(Cc2ccccc2)c2cccc3n[nH]cc32)cc1 ZINC001174345483 1052109859 /nfs/dbraw/zinc/10/98/59/1052109859.db2.gz CQHJDVAGMMAWPF-UHFFFAOYSA-N 0 0 314.392 4.483 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCc1ccccc1 ZINC000914507165 1052122294 /nfs/dbraw/zinc/12/22/94/1052122294.db2.gz ZIUCWRCSHMXZAN-UHFFFAOYSA-N 0 0 324.468 4.122 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC1CCCC1 ZINC000914506204 1052125228 /nfs/dbraw/zinc/12/52/28/1052125228.db2.gz IZLWQMJCXCJBIN-UHFFFAOYSA-N 0 0 302.462 4.070 20 10 DICDRN CCOc1ccc([C@H](C)OCc2ccc(N)cc2)c(OCC)c1 ZINC001217888373 1052164403 /nfs/dbraw/zinc/16/44/03/1052164403.db2.gz QVPNYHXDMWJMEW-AWEZNQCLSA-N 0 0 315.413 4.344 20 10 DICDRN Nc1ccc(Cc2ccccc2Nc2ccnc3[nH]ccc32)cc1 ZINC001174413447 1052165323 /nfs/dbraw/zinc/16/53/23/1052165323.db2.gz LQOPRROTVQOAEJ-UHFFFAOYSA-N 0 0 314.392 4.431 20 10 DICDRN Nc1ccc(N(Cc2ccccc2)c2ccc(N)cc2F)cc1 ZINC001174483626 1052168333 /nfs/dbraw/zinc/16/83/33/1052168333.db2.gz VUJMMGWYRLVMPU-UHFFFAOYSA-N 0 0 307.372 4.328 20 10 DICDRN Nc1ccc(Cc2ccccc2Nc2ccc(N)cc2F)cc1 ZINC001174483485 1052168451 /nfs/dbraw/zinc/16/84/51/1052168451.db2.gz PQDVSRMFVATQRQ-UHFFFAOYSA-N 0 0 307.372 4.325 20 10 DICDRN C[C@H](OCc1ccc(N)cc1)c1cccc(OC(F)(F)F)c1 ZINC001217922578 1052170444 /nfs/dbraw/zinc/17/04/44/1052170444.db2.gz NCGILROCYLEJGN-NSHDSACASA-N 0 0 311.303 4.445 20 10 DICDRN CC(C)c1nc(CN[C@@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000153248710 1052182905 /nfs/dbraw/zinc/18/29/05/1052182905.db2.gz HZXDNDPZHBWALN-ZDUSSCGKSA-N 0 0 303.475 4.183 20 10 DICDRN FC1(F)CNCC[C@@H]1Oc1ccc(/N=N/c2ccccc2)cc1 ZINC001218007740 1052185167 /nfs/dbraw/zinc/18/51/67/1052185167.db2.gz TXMVDDIZXWLSCI-YWBAYFEHSA-N 0 0 317.339 4.478 20 10 DICDRN COc1ccc(COc2ccc(N)cc2)cc1OC1CCCC1 ZINC001218217785 1052209133 /nfs/dbraw/zinc/20/91/33/1052209133.db2.gz ZUFGBQDEJWTNGM-UHFFFAOYSA-N 0 0 313.397 4.178 20 10 DICDRN C[C@@H](Oc1ccc(N)cc1)c1ccc(F)c(Br)c1 ZINC001218344559 1052228226 /nfs/dbraw/zinc/22/82/26/1052228226.db2.gz FYGFYTGKLQIVIJ-SECBINFHSA-N 0 0 310.166 4.310 20 10 DICDRN Nc1ccc(O[C@@H](c2ccccc2)c2ccccc2[N+](=O)[O-])cc1 ZINC001218441478 1052240443 /nfs/dbraw/zinc/24/04/43/1052240443.db2.gz LBBCVGDDDAPNHT-IBGZPJMESA-N 0 0 320.348 4.345 20 10 DICDRN CCCCC[C@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000914847744 1052269037 /nfs/dbraw/zinc/26/90/37/1052269037.db2.gz JAKCSBZGXCVZQO-AWEZNQCLSA-N 0 0 313.445 4.188 20 10 DICDRN Cc1cc(C(=O)Nc2cc(C)ccc2C)c(C)n1-c1ccccn1 ZINC000914846086 1052270491 /nfs/dbraw/zinc/27/04/91/1052270491.db2.gz VTJUGPOJWHMUSL-UHFFFAOYSA-N 0 0 319.408 4.358 20 10 DICDRN CCn1c(Sc2nccs2)nnc1-c1cccc(Cl)c1 ZINC000914862871 1052276936 /nfs/dbraw/zinc/27/69/36/1052276936.db2.gz QOACOZBMMUCGNY-UHFFFAOYSA-N 0 0 322.846 4.226 20 10 DICDRN CCn1c(Sc2nccs2)nnc1-c1ccc(Cl)cc1 ZINC000914863283 1052277330 /nfs/dbraw/zinc/27/73/30/1052277330.db2.gz ZJMLGYDIMHTVFG-UHFFFAOYSA-N 0 0 322.846 4.226 20 10 DICDRN CC(=O)Nc1ccc(N[C@H](C)c2cc(C)ccc2O)cc1Cl ZINC000315248772 1052334124 /nfs/dbraw/zinc/33/41/24/1052334124.db2.gz VFAUDXOOKYCFLL-LLVKDONJSA-N 0 0 318.804 4.486 20 10 DICDRN FC(F)(F)c1cccnc1COc1ccc(N2CCCC2)cc1 ZINC000762210338 1052341602 /nfs/dbraw/zinc/34/16/02/1052341602.db2.gz PJTMFEJOJGHOHF-UHFFFAOYSA-N 0 0 322.330 4.280 20 10 DICDRN Cc1ccc([C@@H](C)Nc2cc3c(cc2Cl)OCCO3)c(O)c1 ZINC000315599011 1052344310 /nfs/dbraw/zinc/34/43/10/1052344310.db2.gz SYLFKMSFDJWTEW-LLVKDONJSA-N 0 0 319.788 4.298 20 10 DICDRN CCc1ccccc1NNC(=S)Nc1ccccc1Cl ZINC000915121817 1052348831 /nfs/dbraw/zinc/34/88/31/1052348831.db2.gz MMZPJBGIVDCEEW-UHFFFAOYSA-N 0 0 305.834 4.216 20 10 DICDRN CCCC[C@@H](CC)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000915198896 1052364965 /nfs/dbraw/zinc/36/49/65/1052364965.db2.gz UJPKWSVOQLYSDF-QGZVFWFLSA-N 0 0 302.462 4.119 20 10 DICDRN Cc1cc(C(=O)N(C)[C@@H](C)C2CC2)c(C)n1-c1ccc(F)cc1 ZINC000915263323 1052379761 /nfs/dbraw/zinc/37/97/61/1052379761.db2.gz XNEGCTLVSVQIAO-ZDUSSCGKSA-N 0 0 314.404 4.104 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)NC2(CC)CCCC2)cc1 ZINC001221230204 1052382237 /nfs/dbraw/zinc/38/22/37/1052382237.db2.gz XHMNFHAARDCLFZ-UHFFFAOYSA-N 0 0 317.477 4.055 20 10 DICDRN Cc1cc(C)cc(NC(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000915306658 1052390830 /nfs/dbraw/zinc/39/08/30/1052390830.db2.gz PPGHLCZMBXAEQA-UHFFFAOYSA-N 0 0 323.440 4.225 20 10 DICDRN C[C@H]([NH2+]CCC1CC(OC(C)(C)C)C1)c1ccc(F)cc1[O-] ZINC000762638863 1052411588 /nfs/dbraw/zinc/41/15/88/1052411588.db2.gz ABUPQUJLPHICFX-OPFPJEHXSA-N 0 0 309.425 4.166 20 10 DICDRN C[C@@H](NC(=O)N[C@H](c1ccccc1)C1CCC1)c1ccccc1O ZINC001221818690 1052415040 /nfs/dbraw/zinc/41/50/40/1052415040.db2.gz DKUJBHSVFBDJIB-AUUYWEPGSA-N 0 0 324.424 4.294 20 10 DICDRN CCC/C(C)=C\C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000762804134 1052423540 /nfs/dbraw/zinc/42/35/40/1052423540.db2.gz FXXXWSBAFGOYPR-QINSGFPZSA-N 0 0 313.397 4.260 20 10 DICDRN CC(=O)Nc1cccc(N[C@@H]2C[C@@H](C)c3c2c(O)ccc3C)c1 ZINC000319836191 1052432790 /nfs/dbraw/zinc/43/27/90/1052432790.db2.gz NXWWIBSLCYADPN-MLGOLLRUSA-N 0 0 310.397 4.319 20 10 DICDRN CC(=O)Nc1cccc(N[C@H]2C[C@H](C)c3c2c(O)ccc3C)c1 ZINC000319836190 1052432866 /nfs/dbraw/zinc/43/28/66/1052432866.db2.gz NXWWIBSLCYADPN-LRDDRELGSA-N 0 0 310.397 4.319 20 10 DICDRN Nc1ccc(NC(=O)CCCOc2cccc3ccccc32)cc1 ZINC000237972227 1052446904 /nfs/dbraw/zinc/44/69/04/1052446904.db2.gz NIPCDHXHLCKCHE-UHFFFAOYSA-N 0 0 320.392 4.220 20 10 DICDRN O=C(NCc1ccc(N2CCCCC2)cc1)C(F)=C1CCCC1 ZINC000763031407 1052491431 /nfs/dbraw/zinc/49/14/31/1052491431.db2.gz SYRICRXKSRTYJX-UHFFFAOYSA-N 0 0 316.420 4.091 20 10 DICDRN Fc1ccc(NC(=S)NNc2cccc3ccccc32)cc1 ZINC000747062065 1052522373 /nfs/dbraw/zinc/52/23/73/1052522373.db2.gz AODSQNQIYOVWQL-UHFFFAOYSA-N 0 0 311.385 4.292 20 10 DICDRN Cc1cc(O)c(CN(C)Cc2nc(-c3ccccc3)c[nH]2)cc1C ZINC000763233132 1052549843 /nfs/dbraw/zinc/54/98/43/1052549843.db2.gz YIYVJNHOGDSEQX-UHFFFAOYSA-N 0 0 321.424 4.031 20 10 DICDRN CCCCCNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000915879094 1052549924 /nfs/dbraw/zinc/54/99/24/1052549924.db2.gz OSHJRDZKKGIGGI-UHFFFAOYSA-N 0 0 317.477 4.009 20 10 DICDRN CCC[C@H](C)NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000915886727 1052566274 /nfs/dbraw/zinc/56/62/74/1052566274.db2.gz BRPFNJYFFVCPQO-INIZCTEOSA-N 0 0 317.477 4.007 20 10 DICDRN CC[C@@H](C(=O)NCc1ccc(N(CC)CC)cc1)c1ccccc1 ZINC000916502693 1052612054 /nfs/dbraw/zinc/61/20/54/1052612054.db2.gz UJVHEJBOUFCWOH-HXUWFJFHSA-N 0 0 324.468 4.343 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)c2cc(C)sc2C)cc1 ZINC000916502415 1052612500 /nfs/dbraw/zinc/61/25/00/1052612500.db2.gz JYYPGUCEZIGUNS-UHFFFAOYSA-N 0 0 316.470 4.141 20 10 DICDRN CCN(CC)c1ccc(CN(C)C(=O)NCCC(C)(C)C)cc1 ZINC000916631169 1052621065 /nfs/dbraw/zinc/62/10/65/1052621065.db2.gz IJMXMIDSSPEOLC-UHFFFAOYSA-N 0 0 319.493 4.110 20 10 DICDRN Cc1cc(F)ncc1NCc1cc(Cl)c2cccnc2c1O ZINC001168521978 1052659317 /nfs/dbraw/zinc/65/93/17/1052659317.db2.gz MQAKOIYGIOOEHS-UHFFFAOYSA-N 0 0 317.751 4.048 20 10 DICDRN CC(C)n1c2ccccc2nc1-c1ccc(N2CCOCC2)cc1 ZINC000916854317 1052660543 /nfs/dbraw/zinc/66/05/43/1052660543.db2.gz HKCAGRRWMRSHMW-UHFFFAOYSA-N 0 0 321.424 4.121 20 10 DICDRN O=C(NCc1cccc(Cl)c1O)NCC1CCCCCCC1 ZINC001224121707 1052670056 /nfs/dbraw/zinc/67/00/56/1052670056.db2.gz KPOALLQTXJWCBJ-UHFFFAOYSA-N 0 0 324.852 4.205 20 10 DICDRN Cc1cc(NCc2cc(Cl)c3cccnc3c2O)cc(F)n1 ZINC001168522424 1052676283 /nfs/dbraw/zinc/67/62/83/1052676283.db2.gz QVSKFEKLEIZNBM-UHFFFAOYSA-N 0 0 317.751 4.048 20 10 DICDRN CN(C)c1ccc(CN(c2nc3ccccc3o2)C2CC2)cc1 ZINC000917091630 1052698709 /nfs/dbraw/zinc/69/87/09/1052698709.db2.gz ZXGXKXNNHUZHTD-UHFFFAOYSA-N 0 0 307.397 4.063 20 10 DICDRN CCCCN(Cc1c(O)ccc2ccncc21)CC(F)(F)F ZINC000917449623 1052729395 /nfs/dbraw/zinc/72/93/95/1052729395.db2.gz GFZCKRRFBHGTKD-UHFFFAOYSA-N 0 0 312.335 4.105 20 10 DICDRN CC(C)c1cccc(NC(=S)N(C)Cc2ccccc2O)c1 ZINC000917581703 1052740934 /nfs/dbraw/zinc/74/09/34/1052740934.db2.gz SABKUZPJHBMDQW-UHFFFAOYSA-N 0 0 314.454 4.344 20 10 DICDRN C[C@@H](NC(=O)N[C@H]1c2ccccc2CC[C@H]1C)c1ccccc1O ZINC001225012105 1052742978 /nfs/dbraw/zinc/74/29/78/1052742978.db2.gz DFNCJFLHRJDLRQ-PJIJBLCYSA-N 0 0 324.424 4.076 20 10 DICDRN CC(C)CCN(CCC(C)C)C(=O)CSc1nccs1 ZINC000917637371 1052746771 /nfs/dbraw/zinc/74/67/71/1052746771.db2.gz ZIWMUORNWVQVIE-UHFFFAOYSA-N 0 0 314.520 4.156 20 10 DICDRN CC[C@@H]1CCCN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000918099966 1052780426 /nfs/dbraw/zinc/78/04/26/1052780426.db2.gz JDEHHLHVAWCKKP-OAHLLOKOSA-N 0 0 316.470 4.418 20 10 DICDRN CCCCS[C@@H](C)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000918299850 1052792114 /nfs/dbraw/zinc/79/21/14/1052792114.db2.gz ZUZQWMOWPWGNRG-HNNXBMFYSA-N 0 0 322.518 4.023 20 10 DICDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CCC[C@@H]2CCC(C)C)c1 ZINC001226489995 1052902813 /nfs/dbraw/zinc/90/28/13/1052902813.db2.gz ZJPLAHITNMSYLL-WBVHZDCISA-N 0 0 318.461 4.105 20 10 DICDRN COc1ccc(N(C)Cc2cccc3ccccc32)cc1OC ZINC000920418918 1052938463 /nfs/dbraw/zinc/93/84/63/1052938463.db2.gz WINFILHNHZWJGR-UHFFFAOYSA-N 0 0 307.393 4.493 20 10 DICDRN Cc1cc(C(=O)N2CC[C@H]2C)c(C)n1-c1cccc(C(C)C)c1 ZINC000920463826 1052940672 /nfs/dbraw/zinc/94/06/72/1052940672.db2.gz LNBSTPPJRNTVBS-CQSZACIVSA-N 0 0 310.441 4.452 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CCCC[C@H]1C ZINC000920434267 1052941053 /nfs/dbraw/zinc/94/10/53/1052941053.db2.gz XURGDBLWYJEPKA-AEFFLSMTSA-N 0 0 316.489 4.318 20 10 DICDRN Cc1ccc(NC(=S)NNc2cccc(Cl)c2F)cc1 ZINC000921142759 1052963961 /nfs/dbraw/zinc/96/39/61/1052963961.db2.gz FUXNTKVKRGCNOS-UHFFFAOYSA-N 0 0 309.797 4.101 20 10 DICDRN C[C@@H]1C[C@@H](OC2=CC(=O)C=CC2=NNc2ccccn2)CCO1 ZINC001227490997 1052995885 /nfs/dbraw/zinc/99/58/85/1052995885.db2.gz BGWLJBMELCPHTL-IIFANMCDSA-N 0 0 313.357 4.149 20 10 DICDRN CC(C)N(Cc1ccccc1)C(=O)[C@H](C)Sc1nccs1 ZINC000064661665 1052999864 /nfs/dbraw/zinc/99/98/64/1052999864.db2.gz OTAPYRSZJXLNHK-ZDUSSCGKSA-N 0 0 320.483 4.061 20 10 DICDRN C[C@@H](c1nc2ccccc2s1)N(C)Cc1cc(F)ccc1O ZINC000179889222 1053034867 /nfs/dbraw/zinc/03/48/67/1053034867.db2.gz OUSPFBQMYOALPZ-NSHDSACASA-N 0 0 316.401 4.334 20 10 DICDRN CCCN(Cc1ccccc1O)C(=O)c1csc(C)c1C ZINC000180375831 1053054914 /nfs/dbraw/zinc/05/49/14/1053054914.db2.gz QYDPLVVUDCVWOA-UHFFFAOYSA-N 0 0 303.427 4.123 20 10 DICDRN C[C@@H](CCC(C)(C)C)NC(=O)NCc1cccc(Cl)c1O ZINC001228254301 1053058162 /nfs/dbraw/zinc/05/81/62/1053058162.db2.gz XTDHCCAQSAUAHD-NSHDSACASA-N 0 0 312.841 4.060 20 10 DICDRN C[C@H](CCC(C)(C)C)NC(=O)NCc1cccc(Cl)c1O ZINC001228254300 1053058385 /nfs/dbraw/zinc/05/83/85/1053058385.db2.gz XTDHCCAQSAUAHD-LLVKDONJSA-N 0 0 312.841 4.060 20 10 DICDRN CC1(C)C[N@H+](Cc2cc(F)c(F)cc2[O-])CCc2ccccc21 ZINC001474626020 1053065898 /nfs/dbraw/zinc/06/58/98/1053065898.db2.gz WKYQZVQMTNOBSB-UHFFFAOYSA-N 0 0 317.379 4.006 20 10 DICDRN CCCN(CC)C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001313131661 1053082882 /nfs/dbraw/zinc/08/28/82/1053082882.db2.gz IEPWRWIGUOVXPQ-UHFFFAOYSA-N 0 0 313.445 4.036 20 10 DICDRN CCC[N@H+](Cc1csc(C(C)C)n1)Cc1ccccc1O ZINC000068973661 1053090017 /nfs/dbraw/zinc/09/00/17/1053090017.db2.gz QFCSMCNPTKGYEM-UHFFFAOYSA-N 0 0 304.459 4.384 20 10 DICDRN CCCCN(Cc1ccccc1O)C(=O)c1sccc1C ZINC000801549862 1053091812 /nfs/dbraw/zinc/09/18/12/1053091812.db2.gz DNEMYMIUJPPXJE-UHFFFAOYSA-N 0 0 303.427 4.205 20 10 DICDRN O=C1C=CC=CC1=NNc1ccccc1O[C@@H]1CCOC[C@@H]1F 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Cc1cccc(F)c1C(=O)Nc1cccc(N2CCCCC2)c1 ZINC001319122103 1053220188 /nfs/dbraw/zinc/22/01/88/1053220188.db2.gz RKBRPTGFBHTEJH-UHFFFAOYSA-N 0 0 312.388 4.377 20 10 DICDRN COC(=O)[C@H]1C[C@H](Oc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC001229007726 1053222904 /nfs/dbraw/zinc/22/29/04/1053222904.db2.gz OVBCCWNPTDSZOU-NTBIVZKOSA-N 0 0 310.353 4.432 20 10 DICDRN COC(=O)[C@H]1C[C@@H](Oc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC001229007732 1053223365 /nfs/dbraw/zinc/22/33/65/1053223365.db2.gz OVBCCWNPTDSZOU-QXOWHZBCSA-N 0 0 310.353 4.432 20 10 DICDRN CCCCN(CC)C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001351896099 1053238492 /nfs/dbraw/zinc/23/84/92/1053238492.db2.gz ZTFPECXFIFUFCL-UHFFFAOYSA-N 0 0 312.457 4.285 20 10 DICDRN CCN(C(=O)/C=C(\C)c1cnccn1)c1ccc2ccccc2c1 ZINC001351948215 1053248858 /nfs/dbraw/zinc/24/88/58/1053248858.db2.gz SVMSKWYDRMZODQ-NTCAYCPXSA-N 0 0 317.392 4.086 20 10 DICDRN CC[N@H+](Cc1ccccn1)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236798685 1053263006 /nfs/dbraw/zinc/26/30/06/1053263006.db2.gz KIAWPVHDBQUBLY-UHFFFAOYSA-N 0 0 311.212 4.116 20 10 DICDRN Cc1cc(CC(=O)N(C(C)C)C2CCC2)c(C)n1-c1ccccc1 ZINC001360706838 1053263579 /nfs/dbraw/zinc/26/35/79/1053263579.db2.gz OPBYMLJNEPIYFK-UHFFFAOYSA-N 0 0 324.468 4.426 20 10 DICDRN CCCN(Cc1ccc(N2CCCC2)cc1)CC(F)(F)F ZINC001319695403 1053264288 /nfs/dbraw/zinc/26/42/88/1053264288.db2.gz HUVYRRDWTJCFDW-UHFFFAOYSA-N 0 0 300.368 4.061 20 10 DICDRN CS[C@@H]1CC[C@@H]([N@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001319829545 1053278182 /nfs/dbraw/zinc/27/81/82/1053278182.db2.gz ZKGAGSVPHFADLR-VXGBXAGGSA-N 0 0 320.285 4.415 20 10 DICDRN CC[C@@H](C)n1nc(NCc2ccc(N3CCCC3)cc2)cc1C ZINC001320082064 1053302406 /nfs/dbraw/zinc/30/24/06/1053302406.db2.gz ZWBOJRRTVOKNMV-OAHLLOKOSA-N 0 0 312.461 4.375 20 10 DICDRN Cc1ncc(/C=C/C(=O)N(CC2CCC2)c2ccccc2)s1 ZINC001361265535 1053347987 /nfs/dbraw/zinc/34/79/87/1053347987.db2.gz BWNRGEXQZXPNQD-ZHACJKMWSA-N 0 0 312.438 4.298 20 10 DICDRN Cc1cc2n[nH]cc2cc1NCc1ccc(N2CCCC2)cc1 ZINC001320695484 1053356310 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Cc1cccc(Cl)c1NC(=S)N[C@H](C)c1ccccc1O ZINC001200204184 1053462249 /nfs/dbraw/zinc/46/22/49/1053462249.db2.gz OFTPIYRKETXZHA-LLVKDONJSA-N 0 0 320.845 4.402 20 10 DICDRN CCCCCC(C)(C)CNC(=O)N[C@H](C)c1ccccc1O ZINC001230053645 1053467373 /nfs/dbraw/zinc/46/73/73/1053467373.db2.gz DBCBCWZOVIUZNY-CQSZACIVSA-N 0 0 306.450 4.359 20 10 DICDRN CC[C@H]([NH2+]C1CCC2(CCOCC2)CC1)c1ccc(F)cc1[O-] ZINC001322453652 1053506715 /nfs/dbraw/zinc/50/67/15/1053506715.db2.gz YITAMNQOGVBGJE-KRWDZBQOSA-N 0 0 321.436 4.311 20 10 DICDRN CCc1nnc(-c2cc(C)n(-c3ccc(Cl)cc3)c2C)o1 ZINC001322689377 1053537948 /nfs/dbraw/zinc/53/79/48/1053537948.db2.gz YPQHUKGXCROPKL-UHFFFAOYSA-N 0 0 301.777 4.360 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](C(C)C)C2)cc1 ZINC001435471338 1053565633 /nfs/dbraw/zinc/56/56/33/1053565633.db2.gz SSMPCCVIFYTURM-SFHVURJKSA-N 0 0 310.441 4.212 20 10 DICDRN Cc1sccc1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC001353437595 1053572363 /nfs/dbraw/zinc/57/23/63/1053572363.db2.gz WLDAFQJWIVUZKH-UHFFFAOYSA-N 0 0 316.470 4.173 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC1(C)CCCC1 ZINC001353435684 1053573068 /nfs/dbraw/zinc/57/30/68/1053573068.db2.gz JTZVEILCTJEBDY-UHFFFAOYSA-N 0 0 316.489 4.460 20 10 DICDRN C[C@H]([NH2+]CCc1c(F)cccc1Cl)c1ccc(F)cc1[O-] ZINC001323830412 1053603550 /nfs/dbraw/zinc/60/35/50/1053603550.db2.gz ROOINPOIGSVYSG-JTQLQIEISA-N 0 0 311.759 4.217 20 10 DICDRN CCn1cc(N[C@H](C)c2ccc(N3CCCCCC3)cc2)cn1 ZINC000183371676 1053642063 /nfs/dbraw/zinc/64/20/63/1053642063.db2.gz IFZOFCXVXQATHE-MRXNPFEDSA-N 0 0 312.461 4.457 20 10 DICDRN CCN(C)c1ccc([C@@H](C)Nc2cnn(C(C)(C)C)c2)cc1 ZINC000183401309 1053647909 /nfs/dbraw/zinc/64/79/09/1053647909.db2.gz BYCXFEGBSOGBFE-CQSZACIVSA-N 0 0 300.450 4.267 20 10 DICDRN COc1ccc(N(Cc2ncoc2C(C)C)CC2CC2)cc1 ZINC001324502206 1053658804 /nfs/dbraw/zinc/65/88/04/1053658804.db2.gz HLKGZAURAYJSRJ-UHFFFAOYSA-N 0 0 300.402 4.223 20 10 DICDRN C[C@@H]([NH2+]C1CCC2(CCOCC2)CC1)c1ccc(Cl)cc1[O-] ZINC001325666755 1053727186 /nfs/dbraw/zinc/72/71/86/1053727186.db2.gz MKGJSODKGSKXBU-CYBMUJFWSA-N 0 0 323.864 4.436 20 10 DICDRN CC1=C[C@@H](Oc2ccc(NN=C3C=CC(=O)C=C3)cc2)CC(=O)O1 ZINC001231319745 1053727483 /nfs/dbraw/zinc/72/74/83/1053727483.db2.gz KLOWRBOZXYTKFT-QGZVFWFLSA-N 0 0 324.336 4.406 20 10 DICDRN Cc1cc(-c2nnc(CCC3CC3)o2)c(C)n1-c1ccccc1 ZINC001325783296 1053730752 /nfs/dbraw/zinc/73/07/52/1053730752.db2.gz NWPHPVYXWBJFEJ-UHFFFAOYSA-N 0 0 307.397 4.487 20 10 DICDRN COc1ccc(OC(C)C)c(N[C@@H](C)c2ccccc2O)c1 ZINC000183695051 1053732954 /nfs/dbraw/zinc/73/29/54/1053732954.db2.gz BPIWLTQVXMCTRC-ZDUSSCGKSA-N 0 0 301.386 4.361 20 10 DICDRN Cc1ccc(C)n1-c1ccc(-c2nnc([C@@H]3CCCCO3)o2)cc1 ZINC001325813446 1053736538 /nfs/dbraw/zinc/73/65/38/1053736538.db2.gz VIXDXTDRLRTICX-KRWDZBQOSA-N 0 0 323.396 4.386 20 10 DICDRN Cc1nnc(-c2ccccc2NCc2ccc(N(C)C)cc2C)o1 ZINC001326044903 1053746828 /nfs/dbraw/zinc/74/68/28/1053746828.db2.gz ANSNUBYBRYZTCX-UHFFFAOYSA-N 0 0 322.412 4.032 20 10 DICDRN Cc1ccc(CN2CCCc3cc(O)c(O)cc3C2)cc1Cl ZINC001231424717 1053749572 /nfs/dbraw/zinc/74/95/72/1053749572.db2.gz ZJMSOAUJRFGHDQ-UHFFFAOYSA-N 0 0 317.816 4.008 20 10 DICDRN CC(C)(C)[C@H]1CN(C(=O)/C=C\c2cncc(F)c2)c2ccccc21 ZINC001436083173 1053772522 /nfs/dbraw/zinc/77/25/22/1053772522.db2.gz FJDICMBIDZIHJL-JJEJIETFSA-N 0 0 324.399 4.410 20 10 DICDRN Cc1ncc(/C=C/C(=O)N2C[C@@H](C(C)C)c3ccccc32)s1 ZINC001436118044 1053783743 /nfs/dbraw/zinc/78/37/43/1053783743.db2.gz ARPCGXFHITUMFZ-FDMDGMSGSA-N 0 0 312.438 4.251 20 10 DICDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC001200581581 1053786114 /nfs/dbraw/zinc/78/61/14/1053786114.db2.gz TXKGKCINYSWXSI-KRWDZBQOSA-N 0 0 303.352 4.301 20 10 DICDRN COC1(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)o2)CCC1 ZINC001326495672 1053787391 /nfs/dbraw/zinc/78/73/91/1053787391.db2.gz ACJOVQIQPXAXEI-UHFFFAOYSA-N 0 0 323.396 4.170 20 10 DICDRN COC/C(C)=C\c1nnc(-c2cc(C)n(-c3ccccc3)c2C)o1 ZINC001326955236 1053810742 /nfs/dbraw/zinc/81/07/42/1053810742.db2.gz SKDIRELHOONRKM-RAXLEYEMSA-N 0 0 323.396 4.194 20 10 DICDRN Cc1cc(-c2nnc([C@@H]3CC3(F)F)o2)c(C)n1-c1ccccc1 ZINC001326954044 1053812191 /nfs/dbraw/zinc/81/21/91/1053812191.db2.gz AWGUSXZIDYJKDC-AWEZNQCLSA-N 0 0 315.323 4.267 20 10 DICDRN CC(C)c1ccc2ncnc(NCc3ccc(N(C)C)cc3)c2c1 ZINC001472643375 1053865689 /nfs/dbraw/zinc/86/56/89/1053865689.db2.gz JTDZUFTUWDNEQX-UHFFFAOYSA-N 0 0 320.440 4.431 20 10 DICDRN Cc1cc(C(=O)Nc2ccccn2)c(C)n1-c1ccccc1C ZINC000071814442 1053879652 /nfs/dbraw/zinc/87/96/52/1053879652.db2.gz XKYRVWPBRZDGMO-UHFFFAOYSA-N 0 0 305.381 4.050 20 10 DICDRN CC[C@@H]([NH2+][C@@H](C)COc1ccccc1F)c1ccc(F)cc1[O-] ZINC001327891930 1053891363 /nfs/dbraw/zinc/89/13/63/1053891363.db2.gz QSHAEKCMTDRMQE-BLLLJJGKSA-N 0 0 321.367 4.179 20 10 DICDRN CC[N@H+](Cc1ccc(C)cc1)Cc1ccc(N(C)C)cc1OC ZINC001231858378 1053893631 /nfs/dbraw/zinc/89/36/31/1053893631.db2.gz VOQBXYRHYOSATM-UHFFFAOYSA-N 0 0 312.457 4.092 20 10 DICDRN CCCC[C@@H](CC)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC001354541422 1053901362 /nfs/dbraw/zinc/90/13/62/1053901362.db2.gz PRNVCPYPLIDQOY-QGZVFWFLSA-N 0 0 304.478 4.365 20 10 DICDRN Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(Cl)c2[O-])cn1 ZINC001231912289 1053914436 /nfs/dbraw/zinc/91/44/36/1053914436.db2.gz CAWSGICPZBRJGW-INIZCTEOSA-N 0 0 302.805 4.086 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC[C@@H](F)C1 ZINC001329173253 1053971076 /nfs/dbraw/zinc/97/10/76/1053971076.db2.gz QSIHPGJFDGUADZ-IAGOWNOFSA-N 0 0 320.452 4.018 20 10 DICDRN Cc1oc(C(C)C)cc1C(=O)Nc1c2nonc2ccc1Cl ZINC001329519920 1053993210 /nfs/dbraw/zinc/99/32/10/1053993210.db2.gz QWULPIUPWMAGAQ-UHFFFAOYSA-N 0 0 319.748 4.153 20 10 DICDRN COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2ccccc2)cc1Cl ZINC001232265257 1054005631 /nfs/dbraw/zinc/00/56/31/1054005631.db2.gz RXBSTXAMULKAFY-MRXNPFEDSA-N 0 0 317.816 4.391 20 10 DICDRN COc1cc(O)c(C[N@H+](C)[C@H]2CCc3ccccc32)cc1Cl ZINC001232270851 1054010941 /nfs/dbraw/zinc/01/09/41/1054010941.db2.gz KIOMJQMMAJSLMF-INIZCTEOSA-N 0 0 317.816 4.174 20 10 DICDRN COc1cc(O)c(C[N@H+](C)[C@@H]2CCc3ccccc32)cc1Cl ZINC001232270852 1054011158 /nfs/dbraw/zinc/01/11/58/1054011158.db2.gz KIOMJQMMAJSLMF-MRXNPFEDSA-N 0 0 317.816 4.174 20 10 DICDRN O=C(C1=CC(=O)CS1)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC001329976198 1054012919 /nfs/dbraw/zinc/01/29/19/1054012919.db2.gz KRNFNKXJQMANDP-CYBMUJFWSA-N 0 0 307.802 4.084 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCC=CCCC2)cc1 ZINC001355016840 1054032546 /nfs/dbraw/zinc/03/25/46/1054032546.db2.gz ZMQMMCFNCGNVGD-SFHVURJKSA-N 0 0 314.473 4.286 20 10 DICDRN CCC(CC)[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848514947 1054122401 /nfs/dbraw/zinc/12/24/01/1054122401.db2.gz UPXRXIQGLAJXIF-SECBINFHSA-N 0 0 316.239 4.003 20 10 DICDRN CC[C@@H]([NH2+]CC1(COC)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000848561400 1054151410 /nfs/dbraw/zinc/15/14/10/1054151410.db2.gz VEZJIWQKOQMXAU-GFCCVEGCSA-N 0 0 318.244 4.166 20 10 DICDRN Cc1cc(CNC(=O)[C@@H]2C[C@@H]2C(C)C)c(C)n1-c1cccc(C)c1 ZINC001438293506 1054164237 /nfs/dbraw/zinc/16/42/37/1054164237.db2.gz ADRCJNNDRNOSHV-WOJBJXKFSA-N 0 0 324.468 4.311 20 10 DICDRN Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(F)c(F)c2[O-])c1 ZINC001233073729 1054179472 /nfs/dbraw/zinc/17/94/72/1054179472.db2.gz CJLQKJFRZKXPJL-MRXNPFEDSA-N 0 0 303.352 4.316 20 10 DICDRN CC(C)(C)[N@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1[O-] ZINC001233074159 1054180619 /nfs/dbraw/zinc/18/06/19/1054180619.db2.gz IRDWSCBOJMELHC-UHFFFAOYSA-N 0 0 305.368 4.471 20 10 DICDRN COc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(F)c(F)c2[O-])c1 ZINC001233078192 1054184234 /nfs/dbraw/zinc/18/42/34/1054184234.db2.gz LENYZPACFBZYNJ-INIZCTEOSA-N 0 0 319.351 4.016 20 10 DICDRN CC(C)(C)c1ccc(O)c(CN2CCC[C@H]2C(F)(F)F)c1 ZINC001233284029 1054223731 /nfs/dbraw/zinc/22/37/31/1054223731.db2.gz FFBDMXCEUWRXIN-AWEZNQCLSA-N 0 0 301.352 4.216 20 10 DICDRN COc1cccc2c1CN(Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001233287090 1054226551 /nfs/dbraw/zinc/22/65/51/1054226551.db2.gz WFZDWXKVTQDHGZ-UHFFFAOYSA-N 0 0 311.425 4.214 20 10 DICDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001233335230 1054238143 /nfs/dbraw/zinc/23/81/43/1054238143.db2.gz MXIFNRBOAYDHKK-GFCCVEGCSA-N 0 0 323.770 4.313 20 10 DICDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC001233334942 1054238265 /nfs/dbraw/zinc/23/82/65/1054238265.db2.gz ALKAPGHBTQZXGJ-LLVKDONJSA-N 0 0 323.770 4.313 20 10 DICDRN C[C@H]1C[C@@H](CC(=O)NCc2ccc(N(C)C)cc2)CC(C)(C)C1 ZINC001355879474 1054239568 /nfs/dbraw/zinc/23/95/68/1054239568.db2.gz XSYSFGAWOMWQGB-RDJZCZTQSA-N 0 0 316.489 4.221 20 10 DICDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001233335164 1054239780 /nfs/dbraw/zinc/23/97/80/1054239780.db2.gz KAVOZLBYAMPNSD-GFCCVEGCSA-N 0 0 323.770 4.313 20 10 DICDRN CC(C)=CCC[C@H](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC001355879338 1054240256 /nfs/dbraw/zinc/24/02/56/1054240256.db2.gz WJUVPTBGFHYTQS-INIZCTEOSA-N 0 0 302.462 4.141 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)/C=C/C2CCCCC2)cc1 ZINC001355911063 1054243608 /nfs/dbraw/zinc/24/36/08/1054243608.db2.gz NDBGXPOJIOLIAZ-NTCAYCPXSA-N 0 0 314.473 4.286 20 10 DICDRN 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312.365 4.147 20 10 DICDRN CCc1cccc(CNc2cc(Cl)c(OC)c(OC)c2)c1O ZINC000848919780 1054298204 /nfs/dbraw/zinc/29/82/04/1054298204.db2.gz SAALKCBJBVCFPX-UHFFFAOYSA-N 0 0 321.804 4.237 20 10 DICDRN CCN1CCc2cc(O[C@H](C)c3cc(C)cnc3F)ccc21 ZINC001233601003 1054307354 /nfs/dbraw/zinc/30/73/54/1054307354.db2.gz DXFFLVRMARJPHA-CYBMUJFWSA-N 0 0 300.377 4.052 20 10 DICDRN C[C@H]1CCN(C(=O)/C=C\c2ccc(Cl)nc2)c2ccccc21 ZINC001356390048 1054327428 /nfs/dbraw/zinc/32/74/28/1054327428.db2.gz KTDAJJBXQUBPFD-JWJUJFCLSA-N 0 0 312.800 4.289 20 10 DICDRN CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000185068039 1054345420 /nfs/dbraw/zinc/34/54/20/1054345420.db2.gz LHAICFGJQAIWMD-CQSZACIVSA-N 0 0 316.420 4.228 20 10 DICDRN CCCCNC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC001440483281 1054356260 /nfs/dbraw/zinc/35/62/60/1054356260.db2.gz PUCQGNIRFDAHDP-UHFFFAOYSA-N 0 0 304.821 4.277 20 10 DICDRN CCOc1ccc2c(c1)C[N@@H+](Cc1cccc(Cl)c1[O-])CC2 ZINC001341760133 1054408224 /nfs/dbraw/zinc/40/82/24/1054408224.db2.gz 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CC[C@@H](C(=O)Nc1c2nonc2ccc1Cl)c1ccccc1 ZINC001347460802 1054569775 /nfs/dbraw/zinc/56/97/75/1054569775.db2.gz MBZYDVFLIISHCQ-LLVKDONJSA-N 0 0 315.760 4.009 20 10 DICDRN COc1cccc(F)c1[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185566556 1054583808 /nfs/dbraw/zinc/58/38/08/1054583808.db2.gz OVKGGPGAWJOUCE-QWRGUYRKSA-N 0 0 307.340 4.091 20 10 DICDRN Cc1cc(C(=O)N[C@H]2CCC2(C)C)c(C)n1-c1ccccc1C ZINC001449157730 1054615254 /nfs/dbraw/zinc/61/52/54/1054615254.db2.gz CIPXHSFADYZHAL-SFHVURJKSA-N 0 0 310.441 4.321 20 10 DICDRN CCOCCC1(C[NH2+][C@H](C)c2ccc(C)cc2O)CCCC1 ZINC000185748775 1054632043 /nfs/dbraw/zinc/63/20/43/1054632043.db2.gz MCDCIFZPAMQOGF-MRXNPFEDSA-N 0 0 305.462 4.338 20 10 DICDRN Oc1c(CN2CCCC(F)(F)C2)cccc1-c1ccccc1 ZINC001234985992 1054638554 /nfs/dbraw/zinc/63/85/54/1054638554.db2.gz ALNDIAVGRZYLFH-UHFFFAOYSA-N 0 0 303.352 4.290 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1C[C@H]1CC(C)C ZINC001451141454 1054669435 /nfs/dbraw/zinc/66/94/35/1054669435.db2.gz 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CCS[C@@H]1CC[C@H]([N@H+](C)Cc2c([O-])ccc(Cl)c2F)C1 ZINC001474360430 1054805435 /nfs/dbraw/zinc/80/54/35/1054805435.db2.gz PDNGUBNBKULWNJ-WDEREUQCSA-N 0 0 317.857 4.291 20 10 DICDRN CCCC[C@](C)(F)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001349948324 1054825999 /nfs/dbraw/zinc/82/59/99/1054825999.db2.gz CGLPUTFKCSFNAS-IBGZPJMESA-N 0 0 320.452 4.162 20 10 DICDRN Nc1ccc(CN2CCSC[C@@H]2c2cccc(Cl)c2)cc1 ZINC001235946713 1054864140 /nfs/dbraw/zinc/86/41/40/1054864140.db2.gz QFTLZULFWZBJBH-QGZVFWFLSA-N 0 0 318.873 4.212 20 10 DICDRN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H](C)[C@@H]2C)c1 ZINC001236663197 1055217494 /nfs/dbraw/zinc/21/74/94/1055217494.db2.gz CVNVMOUXHRXQKB-NEPJUHHUSA-N 0 0 312.251 4.084 20 10 DICDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccoc1Cl ZINC000764765865 1055245674 /nfs/dbraw/zinc/24/56/74/1055245674.db2.gz WADYJHSGDDVPBR-UHFFFAOYSA-N 0 0 320.820 4.050 20 10 DICDRN CCc1ccc(C[N@H+](CC)Cc2ccc(N(C)C)cc2)c(O)c1 ZINC001236787179 1055258827 /nfs/dbraw/zinc/25/88/27/1055258827.db2.gz 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ZINC001534767021 1060364369 /nfs/dbraw/zinc/36/43/69/1060364369.db2.gz OCOXXYHEMNZWRZ-OAHLLOKOSA-N 0 0 310.441 4.147 20 10 DICDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCC2(F)CCC2)cc1 ZINC001534821932 1060376507 /nfs/dbraw/zinc/37/65/07/1060376507.db2.gz CIFQBXKVGQEHME-UHFFFAOYSA-N 0 0 314.404 4.106 20 10 DICDRN C[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])[C@H](c2ccco2)C1 ZINC001560639186 1060456209 /nfs/dbraw/zinc/45/62/09/1060456209.db2.gz RPPCAAJRHUUOKQ-FZMZJTMJSA-N 0 0 307.340 4.237 20 10 DICDRN CCc1cccc(CN2Cc3ccccc3C(F)(F)C2)c1O ZINC001560640410 1060457464 /nfs/dbraw/zinc/45/74/64/1060457464.db2.gz HVZZWEYDRUSOTM-UHFFFAOYSA-N 0 0 303.352 4.062 20 10 DICDRN Cc1cc(CNC(=O)C[C@@H]2CC[C@H]3C[C@H]32)c(C)n1-c1ccccc1 ZINC001535142901 1060471864 /nfs/dbraw/zinc/47/18/64/1060471864.db2.gz GXXRTDJRCBHILA-ABSDTBQOSA-N 0 0 322.452 4.147 20 10 DICDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC001560661214 1060487104 /nfs/dbraw/zinc/48/71/04/1060487104.db2.gz PHZNXYHKYYRGHG-HNNXBMFYSA-N 0 0 317.379 4.440 20 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/nfs/dbraw/zinc/57/10/38/1060571038.db2.gz WQFVUNBTGMUKPH-GOEBONIOSA-N 0 0 311.853 4.119 20 10 DICDRN C[C@H](CCN1CCOc2cc(N(C)C)ccc21)c1ccccc1 ZINC001560736421 1060603256 /nfs/dbraw/zinc/60/32/56/1060603256.db2.gz RYKFRLMAMDYOMM-MRXNPFEDSA-N 0 0 310.441 4.145 20 10 DICDRN C[C@H]1CCCc2ccccc2[C@@H]1[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001560735226 1060603635 /nfs/dbraw/zinc/60/36/35/1060603635.db2.gz UGMIOKFCVZRCHQ-HXPMCKFVSA-N 0 0 317.379 4.474 20 10 DICDRN COc1cc(C)c(CN2CCCc3c(C)cc(C)cc32)c(O)c1 ZINC001560743346 1060609318 /nfs/dbraw/zinc/60/93/18/1060609318.db2.gz NGBXXWSFYJBWCN-UHFFFAOYSA-N 0 0 311.425 4.279 20 10 DICDRN CCc1cccc(Cl)c1CN(C)c1ccc2c(c1)OCO2 ZINC001560746103 1060612763 /nfs/dbraw/zinc/61/27/63/1060612763.db2.gz MJHYJWOBRPBCPT-UHFFFAOYSA-N 0 0 303.789 4.268 20 10 DICDRN COc1ccc(N(C)Cc2cc3ccncc3s2)cc1F ZINC001560745889 1060613356 /nfs/dbraw/zinc/61/33/56/1060613356.db2.gz FELNGNWEGGGTIP-UHFFFAOYSA-N 0 0 302.374 4.080 20 10 DICDRN CNc1ccc(C)cc1CN(C)c1ccc(OC)c(Cl)c1 ZINC001560746350 1060613692 /nfs/dbraw/zinc/61/36/92/1060613692.db2.gz UZGFLJSFSVLXQL-UHFFFAOYSA-N 0 0 304.821 4.335 20 10 DICDRN C[C@]1([NH2+]Cc2cc(F)cc(F)c2[O-])CCCc2ccccc21 ZINC001560747038 1060614074 /nfs/dbraw/zinc/61/40/74/1060614074.db2.gz AJRUBYWOWUYXPB-SFHVURJKSA-N 0 0 303.352 4.012 20 10 DICDRN Cc1nn(-c2ccccc2)cc1NCc1ccc(Cl)cc1O ZINC001560749629 1060616429 /nfs/dbraw/zinc/61/64/29/1060616429.db2.gz JHKCSFUVGADZJA-UHFFFAOYSA-N 0 0 313.788 4.152 20 10 DICDRN Cc1nc(CN(C)c2ccc(OCc3ccccc3)cc2)[nH]c1C ZINC001560761184 1060627550 /nfs/dbraw/zinc/62/75/50/1060627550.db2.gz BOOZNLFUZAVGJD-UHFFFAOYSA-N 0 0 321.424 4.242 20 10 DICDRN COc1cc(NCc2cc(C(C)C)ccc2O)c(C)c(OC)c1 ZINC001560782353 1060644196 /nfs/dbraw/zinc/64/41/96/1060644196.db2.gz JPTFNTQIWSPGDF-UHFFFAOYSA-N 0 0 315.413 4.453 20 10 DICDRN Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001560884924 1060745785 /nfs/dbraw/zinc/74/57/85/1060745785.db2.gz MBACJFRWIHFLGX-KRWDZBQOSA-N 0 0 321.342 4.455 20 10 DICDRN CN(C)c1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C)cc1 ZINC001250468953 1060827835 /nfs/dbraw/zinc/82/78/35/1060827835.db2.gz VJZGMKASQHIOLA-UHFFFAOYSA-N 0 0 319.330 4.325 20 10 DICDRN CC(=O)c1ccc2[nH]c(-c3ccc(N4CCCC4)cc3)nc2c1 ZINC001250489784 1060845518 /nfs/dbraw/zinc/84/55/18/1060845518.db2.gz GKZYLESSALUTNO-UHFFFAOYSA-N 0 0 305.381 4.033 20 10 DICDRN Cn1c(-c2ccc(N3CCCC3)cc2)nc2ccc(F)c(F)c21 ZINC001250489713 1060845534 /nfs/dbraw/zinc/84/55/34/1060845534.db2.gz DHZKSWZGXGSCRV-UHFFFAOYSA-N 0 0 313.351 4.119 20 10 DICDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1cscc1Cl ZINC001561010637 1060868091 /nfs/dbraw/zinc/86/80/91/1060868091.db2.gz RMYFXMYLHLKXFK-UHFFFAOYSA-N 0 0 306.189 4.189 20 10 DICDRN COC(=O)c1cc(C)cc(NCc2cc(Cl)c(C)cc2O)c1 ZINC001561028848 1060885277 /nfs/dbraw/zinc/88/52/77/1060885277.db2.gz XAYSXAZEKSHSLE-UHFFFAOYSA-N 0 0 319.788 4.061 20 10 DICDRN C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@@H]1C[C@H]1c1cccs1 ZINC001561044002 1060896788 /nfs/dbraw/zinc/89/67/88/1060896788.db2.gz OTWUCZPQVDTWKV-KGYLQXTDSA-N 0 0 307.846 4.389 20 10 DICDRN COc1cc(NCc2c(O)cc(C)cc2Cl)c(C)c(OC)c1 ZINC001462146541 1060968654 /nfs/dbraw/zinc/96/86/54/1060968654.db2.gz HAXRHGCOLXIXCE-UHFFFAOYSA-N 0 0 321.804 4.292 20 10 DICDRN CCc1cccc(CNc2cc(-c3ccnn3C)ccc2C)c1O ZINC001462153609 1060973824 /nfs/dbraw/zinc/97/38/24/1060973824.db2.gz HEYYGHKLDBSIMY-UHFFFAOYSA-N 0 0 321.424 4.276 20 10 DICDRN COc1ccc(N(CCOCC2CC2)Cc2cccs2)cc1 ZINC001473225365 1061004385 /nfs/dbraw/zinc/00/43/85/1061004385.db2.gz ONGXUSONRMSNJG-UHFFFAOYSA-N 0 0 317.454 4.190 20 10 DICDRN CCc1c(NCc2ccc(C)cc2O)cnn1-c1cccc(C)c1 ZINC001462191093 1061011477 /nfs/dbraw/zinc/01/14/77/1061011477.db2.gz MVGLBLZQFKAXOB-UHFFFAOYSA-N 0 0 321.424 4.369 20 10 DICDRN C[C@H](NC(=O)Nc1cccc(C(F)F)c1)c1ccccc1O ZINC001562302056 1061024208 /nfs/dbraw/zinc/02/42/08/1061024208.db2.gz DVFPCIXTDKHXOA-JTQLQIEISA-N 0 0 306.312 4.213 20 10 DICDRN COc1ccc(N(C)C[C@@H]2CCCC3(CCC3)O2)cc1Cl ZINC001473250073 1061027296 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ZINC001462290305 1061081416 /nfs/dbraw/zinc/08/14/16/1061081416.db2.gz AWXZOCIWAZCXRT-UHFFFAOYSA-N 0 0 313.445 4.297 20 10 DICDRN Cn1c2cc(Cl)ccc2nc1-c1ccccc1-c1cncnc1 ZINC001250835669 1061086319 /nfs/dbraw/zinc/08/63/19/1061086319.db2.gz UIWUTFPJALWKKJ-UHFFFAOYSA-N 0 0 320.783 4.351 20 10 DICDRN CCn1c2ccc(F)cc2nc1-c1ccccc1-c1cncnc1 ZINC001250837173 1061088240 /nfs/dbraw/zinc/08/82/40/1061088240.db2.gz UVQDZKVTPMBXKC-UHFFFAOYSA-N 0 0 318.355 4.319 20 10 DICDRN [O-]c1c(C[N@@H+]2CC3(CCC3)[C@H]2c2ccccc2)ccc(F)c1F ZINC001462299023 1061088517 /nfs/dbraw/zinc/08/85/17/1061088517.db2.gz WAFMFTLSLNEMRB-GOSISDBHSA-N 0 0 315.363 4.398 20 10 DICDRN CN(C)c1ccc2c(c1)OCCN2Cc1cccc(C(F)F)c1 ZINC001473344536 1061101339 /nfs/dbraw/zinc/10/13/39/1061101339.db2.gz UHHLWAWVPTXZPY-UHFFFAOYSA-N 0 0 318.367 4.089 20 10 DICDRN C[N@H+](Cc1cc(F)cc(F)c1[O-])[C@H]1CCC[C@H]1c1ccccc1 ZINC001462335297 1061112916 /nfs/dbraw/zinc/11/29/16/1061112916.db2.gz RNUDIOWPMRBFPG-WMZOPIPTSA-N 0 0 317.379 4.439 20 10 DICDRN 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ZFOHBAGNGHDSOH-AYGBPOKTSA-N 0 0 307.384 4.203 20 10 DICDRN CCCSc1cccc(NCc2c(C)cc(OC)cc2O)n1 ZINC001462491311 1061211331 /nfs/dbraw/zinc/21/13/31/1061211331.db2.gz MEURODYLZKZWPK-UHFFFAOYSA-N 0 0 318.442 4.218 20 10 DICDRN CCC(CC)(C[NH2+]Cc1ccc(F)c(F)c1[O-])C(F)(F)F ZINC001462514266 1061223404 /nfs/dbraw/zinc/22/34/04/1061223404.db2.gz FHIPVKHRPAQBFK-UHFFFAOYSA-N 0 0 311.294 4.129 20 10 DICDRN C[C@H](CN(C)C(=O)c1cc2cc(O)c(O)cc2s1)C(C)(C)C ZINC001455523791 1061229315 /nfs/dbraw/zinc/22/93/15/1061229315.db2.gz WRDKGURCIGDCJN-SNVBAGLBSA-N 0 0 321.442 4.067 20 10 DICDRN CCO[C@@H](CN(C)c1ccc(-c2nccs2)cc1)C1CC1 ZINC001473535440 1061230695 /nfs/dbraw/zinc/23/06/95/1061230695.db2.gz JRQCAFOSODYYDM-INIZCTEOSA-N 0 0 302.443 4.061 20 10 DICDRN CCN(OC)C(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C ZINC001455974174 1061253488 /nfs/dbraw/zinc/25/34/88/1061253488.db2.gz HTOHZHICXRMWEL-UHFFFAOYSA-N 0 0 314.429 4.241 20 10 DICDRN CC(C)C[N@H+](Cc1ccccn1)Cc1cc(Cl)c(F)cc1[O-] ZINC001462600410 1061286989 /nfs/dbraw/zinc/28/69/89/1061286989.db2.gz BCBFTWVVGAGYIR-UHFFFAOYSA-N 0 0 322.811 4.238 20 10 DICDRN CC(C)[C@@H](C)n1c2ccccc2nc1-c1cc(O)c(O)c(O)c1 ZINC001251248321 1061289273 /nfs/dbraw/zinc/28/92/73/1061289273.db2.gz KZDJDMHTPVKJTK-LLVKDONJSA-N 0 0 312.369 4.037 20 10 DICDRN CC[C@@H](C)n1c2ccc(C)cc2nc1-c1cc(O)c(O)c(O)c1 ZINC001251248422 1061291741 /nfs/dbraw/zinc/29/17/41/1061291741.db2.gz QGBFXUZWYFXACZ-LLVKDONJSA-N 0 0 312.369 4.100 20 10 DICDRN C[C@H](C(=O)NCc1c(O)ccc2ccccc21)c1cccs1 ZINC001456312101 1061295058 /nfs/dbraw/zinc/29/50/58/1061295058.db2.gz YNJKNZXUVOHAHG-LBPRGKRZSA-N 0 0 311.406 4.027 20 10 DICDRN O=C(NCc1c(O)ccc2ccccc21)c1coc(C(F)F)c1 ZINC001456310285 1061295653 /nfs/dbraw/zinc/29/56/53/1061295653.db2.gz QCDIVAVFUJMAQD-UHFFFAOYSA-N 0 0 317.291 4.006 20 10 DICDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC001462613944 1061300478 /nfs/dbraw/zinc/30/04/78/1061300478.db2.gz TWKQKNBDIRJHHH-AULYBMBSSA-N 0 0 323.770 4.360 20 10 DICDRN CCN(C(=O)/C=C/c1ccc(Cl)nc1)c1ccc(F)c(C)c1 ZINC001462625669 1061304421 /nfs/dbraw/zinc/30/44/21/1061304421.db2.gz FVANXQMBAMUUFY-WEVVVXLNSA-N 0 0 318.779 4.249 20 10 DICDRN COC1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCCCCC1 ZINC001462655142 1061319775 /nfs/dbraw/zinc/31/97/75/1061319775.db2.gz ZRXQYEGMYCOIIR-UHFFFAOYSA-N 0 0 315.816 4.014 20 10 DICDRN CCc1ccc([C@H](C)C(=O)NCc2cccc(Cl)c2O)cc1 ZINC001457037244 1061403894 /nfs/dbraw/zinc/40/38/94/1061403894.db2.gz KWMPYWGGPZKLSB-LBPRGKRZSA-N 0 0 317.816 4.028 20 10 DICDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1ccc(Cl)s1 ZINC001473919068 1061468268 /nfs/dbraw/zinc/46/82/68/1061468268.db2.gz BDBSNSCDGMQULC-UHFFFAOYSA-N 0 0 306.189 4.189 20 10 DICDRN CC(C)[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC001473922719 1061471173 /nfs/dbraw/zinc/47/11/73/1061471173.db2.gz HAESKGFJYXNALK-INIZCTEOSA-N 0 0 305.368 4.200 20 10 DICDRN Cc1ncccc1/C=C\C(=O)N1CC(C)(C)Sc2ccccc21 ZINC001457589275 1061472587 /nfs/dbraw/zinc/47/25/87/1061472587.db2.gz BZVFPPBMJUMNDU-KHPPLWFESA-N 0 0 324.449 4.321 20 10 DICDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC001473937587 1061481832 /nfs/dbraw/zinc/48/18/32/1061481832.db2.gz BBPAQMCSARYQBK-UHFFFAOYSA-N 0 0 323.770 4.145 20 10 DICDRN CC[C@@H]1CCC[C@H]1C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC001463779579 1061521856 /nfs/dbraw/zinc/52/18/56/1061521856.db2.gz RFNZBMZVIOJLIL-IEBWSBKVSA-N 0 0 316.489 4.318 20 10 DICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CC1(C)CCCCC1 ZINC001464504223 1061600687 /nfs/dbraw/zinc/60/06/87/1061600687.db2.gz HNOHXNXJTHIKRS-UHFFFAOYSA-N 0 0 316.489 4.462 20 10 DICDRN CC(C)Oc1ccc(NCc2cc(F)cc(F)c2O)c(F)c1 ZINC001474100015 1061645020 /nfs/dbraw/zinc/64/50/20/1061645020.db2.gz OARYZKPCIARVCU-UHFFFAOYSA-N 0 0 311.303 4.209 20 10 DICDRN C[C@@H]1COC[C@@H]1NC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC001464896975 1061645689 /nfs/dbraw/zinc/64/56/89/1061645689.db2.gz BVQXFFRYSQKSIM-DYVFJYSZSA-N 0 0 324.384 4.258 20 10 DICDRN CC1CC(Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)C1 ZINC001458234264 1061651087 /nfs/dbraw/zinc/65/10/87/1061651087.db2.gz SMSKOUDIBRFDBZ-UHFFFAOYSA-N 0 0 310.353 4.036 20 10 DICDRN CCc1c[nH]c2ncnc(Sc3ncc(C(C)(C)C)s3)c12 ZINC001458248437 1061658288 /nfs/dbraw/zinc/65/82/88/1061658288.db2.gz OXQBHLDZZOFJKR-UHFFFAOYSA-N 0 0 318.471 4.426 20 10 DICDRN CCN(CC)c1ccc(CNC(=O)C[C@@H]2CC=CCC2)cc1F ZINC001465006220 1061662401 /nfs/dbraw/zinc/66/24/01/1061662401.db2.gz SGSDJGZXOSKBII-OAHLLOKOSA-N 0 0 318.436 4.035 20 10 DICDRN C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccc(N(C)C)cc1 ZINC001474116884 1061665921 /nfs/dbraw/zinc/66/59/21/1061665921.db2.gz JXGZOUQWBCVNPH-NSHDSACASA-N 0 0 322.811 4.102 20 10 DICDRN Cc1cc(N[C@@H](C)c2ccc(N(C)C)cc2)c(F)cc1[N+](=O)[O-] ZINC001458330398 1061702379 /nfs/dbraw/zinc/70/23/79/1061702379.db2.gz YACPDJQMEHUTHW-LBPRGKRZSA-N 0 0 317.364 4.281 20 10 DICDRN Clc1csc(NCc2ccc(N3CCCCC3)cc2)n1 ZINC001458466574 1061779430 /nfs/dbraw/zinc/77/94/30/1061779430.db2.gz YLAXWDATMZCCGD-UHFFFAOYSA-N 0 0 307.850 4.399 20 10 DICDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC1C(C)(C)C1(C)C ZINC001465714417 1061800472 /nfs/dbraw/zinc/80/04/72/1061800472.db2.gz FNSUGBNXAKTDSP-UHFFFAOYSA-N 0 0 316.470 4.320 20 10 DICDRN O=[N+]([O-])c1cnc(Sc2ncc(Cl)s2)c2ccccc21 ZINC001458509185 1061807355 /nfs/dbraw/zinc/80/73/55/1061807355.db2.gz JDNWHCQTVGDWHQ-UHFFFAOYSA-N 0 0 323.786 4.404 20 10 DICDRN CN(Cc1ccccc1O)C(=O)c1ccc(Cl)c2occc21 ZINC001465844832 1061822462 /nfs/dbraw/zinc/82/24/62/1061822462.db2.gz XDLUCRJHYVDIEC-UHFFFAOYSA-N 0 0 315.756 4.064 20 10 DICDRN Cc1cc(O)c(CNCc2c(F)cc(F)cc2F)c(Cl)c1 ZINC001474261728 1061828655 /nfs/dbraw/zinc/82/86/55/1061828655.db2.gz ZSYHRHOSPMIQAY-UHFFFAOYSA-N 0 0 315.722 4.061 20 10 DICDRN Cc1cc(C(=O)NCCCF)c(C)n1-c1ccc(C(C)C)cc1 ZINC001465963216 1061852973 /nfs/dbraw/zinc/85/29/73/1061852973.db2.gz BJYKNXAOCRZMSG-UHFFFAOYSA-N 0 0 316.420 4.307 20 10 DICDRN CCS(=O)(=O)Nc1ccc(/N=N/c2ccccc2C)cc1C ZINC001253366660 1061881463 /nfs/dbraw/zinc/88/14/63/1061881463.db2.gz BEIGHTBKPXDGDN-ISLYRVAYSA-N 0 0 317.414 4.480 20 10 DICDRN [O-]c1c(F)c(F)ccc1C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC001474321492 1061902832 /nfs/dbraw/zinc/90/28/32/1061902832.db2.gz JRSVETLMJQDKEW-CQSZACIVSA-N 0 0 307.340 4.381 20 10 DICDRN Cc1ccncc1/C=C/C(=O)N1CCC[C@@H](C)c2ccccc21 ZINC001458789942 1061903033 /nfs/dbraw/zinc/90/30/33/1061903033.db2.gz MQNWGRNYGPAVRF-ZNFPLGDCSA-N 0 0 306.409 4.334 20 10 DICDRN CC[N@H+](Cc1cc(F)cc(F)c1[O-])[C@@H](C)c1ccc(F)cc1 ZINC001474342131 1061939976 /nfs/dbraw/zinc/93/99/76/1061939976.db2.gz PCMKZBDOXCOBHY-NSHDSACASA-N 0 0 309.331 4.393 20 10 DICDRN Cc1cc(NC(=O)N[C@H](C)c2ccccc2O)c(Cl)cc1F ZINC001466492501 1061949684 /nfs/dbraw/zinc/94/96/84/1061949684.db2.gz GFHLMMAUKUMQPQ-SNVBAGLBSA-N 0 0 322.767 4.376 20 10 DICDRN CC[C@H](Cc1ccccc1)[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC001474351041 1061965017 /nfs/dbraw/zinc/96/50/17/1061965017.db2.gz SHVZNQSHOKNSOE-MRXNPFEDSA-N 0 0 303.833 4.499 20 10 DICDRN CC(C)C[N@H+](CCc1ccccc1)Cc1cccc(F)c1[O-] ZINC001474362469 1061992489 /nfs/dbraw/zinc/99/24/89/1061992489.db2.gz KTDQMWPZOAFOBW-UHFFFAOYSA-N 0 0 301.405 4.232 20 10 DICDRN Cc1ccc(CN(C)[C@H](c2ccccc2)C(F)(F)F)c(O)c1 ZINC001474372076 1062016766 /nfs/dbraw/zinc/01/67/66/1062016766.db2.gz VMCBGUVUQIKKOX-MRXNPFEDSA-N 0 0 309.331 4.436 20 10 DICDRN CCCCc1ccc(-c2cn(CCc3ccc(N)cc3)nn2)cc1 ZINC001254080972 1062020089 /nfs/dbraw/zinc/02/00/89/1062020089.db2.gz FOAHYYUSWYSZSR-UHFFFAOYSA-N 0 0 320.440 4.113 20 10 DICDRN Cc1cc(C)c(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC001459176701 1062034598 /nfs/dbraw/zinc/03/45/98/1062034598.db2.gz DOFNOZVXDSAYEE-KRWDZBQOSA-N 0 0 324.468 4.098 20 10 DICDRN Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC001459179978 1062036111 /nfs/dbraw/zinc/03/61/11/1062036111.db2.gz XEDVCWSDTPRXRR-UIAACRFSSA-N 0 0 322.452 4.042 20 10 DICDRN Cc1cc(CC(=O)N2CCCCC[C@@H]2C)c(C)n1-c1ccccc1 ZINC001459190457 1062036969 /nfs/dbraw/zinc/03/69/69/1062036969.db2.gz ZVQMNAQCBSBEFZ-INIZCTEOSA-N 0 0 324.468 4.428 20 10 DICDRN CSc1cccc(N(C)Cc2ccc(N(C)C)cc2C)c1 ZINC001474421992 1062094955 /nfs/dbraw/zinc/09/49/55/1062094955.db2.gz PMLHAZLYCZTWIW-UHFFFAOYSA-N 0 0 300.471 4.419 20 10 DICDRN Oc1ccc(F)cc1CN1CCc2c1cccc2C(F)(F)F ZINC001474431635 1062106049 /nfs/dbraw/zinc/10/60/49/1062106049.db2.gz LOOXKCRNLNVTNH-UHFFFAOYSA-N 0 0 311.278 4.113 20 10 DICDRN CN(Cc1ccc(C(F)(F)F)s1)c1ccc2c(c1)OCO2 ZINC001474432021 1062106928 /nfs/dbraw/zinc/10/69/28/1062106928.db2.gz UZOFEXMXQSMOBR-UHFFFAOYSA-N 0 0 315.316 4.132 20 10 DICDRN COc1ccc(SCCN(C)c2ccc(OC)c(F)c2)cc1 ZINC001474433174 1062109235 /nfs/dbraw/zinc/10/92/35/1062109235.db2.gz KTCICDUMRFYMEI-UHFFFAOYSA-N 0 0 321.417 4.071 20 10 DICDRN CCCCCC[C@](C)(CC)C(=O)NCc1ccc(OC)cc1O ZINC001467471845 1062134149 /nfs/dbraw/zinc/13/41/49/1062134149.db2.gz VJAQIMZQZDHQAW-IBGZPJMESA-N 0 0 321.461 4.404 20 10 DICDRN Cc1ccccc1[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2[O-])C1 ZINC001474482761 1062160838 /nfs/dbraw/zinc/16/08/38/1062160838.db2.gz HNLDYCJGLCKSBI-KOMQPUFPSA-N 0 0 301.817 4.390 20 10 DICDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)C(C)(C)C1CCCCC1 ZINC001467839756 1062220234 /nfs/dbraw/zinc/22/02/34/1062220234.db2.gz DFTHENKDKPNVSN-UHFFFAOYSA-N 0 0 324.461 4.101 20 10 DICDRN C[C@H]([NH2+]CCC1CCOCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC001254721556 1062239628 /nfs/dbraw/zinc/23/96/28/1062239628.db2.gz UBDZVJBJPHSCFV-JTQLQIEISA-N 0 0 318.244 4.166 20 10 DICDRN CCOCc1ccc(N[C@H](C)c2cc(OC)ccc2O)cc1 ZINC001254729362 1062241249 /nfs/dbraw/zinc/24/12/49/1062241249.db2.gz GJLVSVBQBQYONX-CYBMUJFWSA-N 0 0 301.386 4.110 20 10 DICDRN CCOCc1ccc(N[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC001254729363 1062242755 /nfs/dbraw/zinc/24/27/55/1062242755.db2.gz GJLVSVBQBQYONX-ZDUSSCGKSA-N 0 0 301.386 4.110 20 10 DICDRN COc1cccc2c1CCCCN2Cc1cc(F)cc(F)c1O ZINC001474555721 1062256794 /nfs/dbraw/zinc/25/67/94/1062256794.db2.gz YZRUYSCOIFBVOZ-UHFFFAOYSA-N 0 0 319.351 4.022 20 10 DICDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1ccc(Cl)cn1 ZINC001459676942 1062294295 /nfs/dbraw/zinc/29/42/95/1062294295.db2.gz KEWHSYNLVPYGNJ-UHFFFAOYSA-N 0 0 324.758 4.289 20 10 DICDRN CC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001474624484 1062345701 /nfs/dbraw/zinc/34/57/01/1062345701.db2.gz VMSZAIIXKWVJNF-MRXNPFEDSA-N 0 0 307.796 4.296 20 10 DICDRN CCOC(=O)CC(C)(C)CCN(CC)c1ccc(OCC)cc1 ZINC001459738748 1062351723 /nfs/dbraw/zinc/35/17/23/1062351723.db2.gz GMGRUFJZWKTWTO-UHFFFAOYSA-N 0 0 321.461 4.281 20 10 DICDRN C/C(=C\c1cccnc1)C(=O)N1C[C@@H](C(C)C)c2ccccc21 ZINC001459752798 1062362466 /nfs/dbraw/zinc/36/24/66/1062362466.db2.gz IYHBMKXNPULHAX-OTMARIDSSA-N 0 0 306.409 4.271 20 10 DICDRN CCCN(C)c1ccccc1NCc1c(C)cc(OC)cc1O ZINC001474653887 1062382586 /nfs/dbraw/zinc/38/25/86/1062382586.db2.gz JTDYWJANWOYAFZ-UHFFFAOYSA-N 0 0 314.429 4.168 20 10 DICDRN CC[C@@](C)([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccc(F)cc1 ZINC001474662710 1062394647 /nfs/dbraw/zinc/39/46/47/1062394647.db2.gz JDSGRFHGSVJTFB-QGZVFWFLSA-N 0 0 309.331 4.225 20 10 DICDRN CN(C)c1cc(F)c(CN2CC[C@H]2c2ccc(F)cc2)cc1F ZINC001474735152 1062454936 /nfs/dbraw/zinc/45/49/36/1062454936.db2.gz KCAYEJFERFXMPK-KRWDZBQOSA-N 0 0 320.358 4.117 20 10 DICDRN CCn1c2ccc(F)cc2nc1NCc1ccc(Cl)cc1O ZINC001474764415 1062468672 /nfs/dbraw/zinc/46/86/72/1062468672.db2.gz XJOGQKRKAGTZLQ-UHFFFAOYSA-N 0 0 319.767 4.166 20 10 DICDRN Cc1cc(CNC(=O)OCCC(C)C)c(C)n1-c1ccccc1 ZINC001475566733 1062515281 /nfs/dbraw/zinc/51/52/81/1062515281.db2.gz LGZGMOJMXAFHJJ-UHFFFAOYSA-N 0 0 314.429 4.366 20 10 DICDRN CCCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCC2(CCC2)O1 ZINC001460022309 1062577653 /nfs/dbraw/zinc/57/76/53/1062577653.db2.gz FXCVUWPXZNKOEY-SFHVURJKSA-N 0 0 317.473 4.486 20 10 DICDRN COc1ccc(N(CCC(C)C)Cc2ccnc(OC)c2)cc1 ZINC001460054773 1062603364 /nfs/dbraw/zinc/60/33/64/1062603364.db2.gz NIDQAVWBVCEJHT-UHFFFAOYSA-N 0 0 314.429 4.152 20 10 DICDRN Cc1cc(CC(=O)NC[C@@H]2C[C@H]2C(C)C)c(C)n1-c1ccccc1 ZINC001460115706 1062646531 /nfs/dbraw/zinc/64/65/31/1062646531.db2.gz PTOSOEJSJPDFSW-ICSRJNTNSA-N 0 0 324.468 4.045 20 10 DICDRN CCC[C@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CCC1 ZINC001469855276 1062646936 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