smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1OC[C@H](C)NC(=O)CSc1ccccc1 ZINC000217971991 201530285 /nfs/dbraw/zinc/53/02/85/201530285.db2.gz SEBRADLZOKDFGV-HNNXBMFYSA-N 0 0 315.438 3.671 40 70 DHIBRN CCCC(=O)N1CCC[C@H](c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000216649505 257232809 /nfs/dbraw/zinc/23/28/09/257232809.db2.gz DCAYHNZITVQZMS-HNNXBMFYSA-N 0 0 313.401 3.551 40 70 DHIBRN COc1ccccc1-n1ccc([C@@H]2OCCN2Cc2ccco2)c1 ZINC000216746715 563711466 /nfs/dbraw/zinc/71/14/66/563711466.db2.gz YCLLUKYTZWPSNE-IBGZPJMESA-N 0 0 324.380 3.610 40 70 DHIBRN CCCOc1ccc2c(c1)c(C(=O)OCC)c(C)n2CCOC ZINC000217761128 563713736 /nfs/dbraw/zinc/71/37/36/563713736.db2.gz NIVUUFLYIOHMHF-UHFFFAOYSA-N 0 0 319.401 3.562 40 70 DHIBRN Cc1ccc(OC[C@@H](C)NC(=O)CSc2ccccc2)cc1 ZINC000217972104 563715149 /nfs/dbraw/zinc/71/51/49/563715149.db2.gz LSOCTGYKOCPKLX-OAHLLOKOSA-N 0 0 315.438 3.671 40 70 DHIBRN O=C(/C=C/c1ccc(Cl)cc1)NCCSCc1ccco1 ZINC000217957229 563715410 /nfs/dbraw/zinc/71/54/10/563715410.db2.gz OZXAVXDQGBWYCR-VMPITWQZSA-N 0 0 321.829 3.996 40 70 DHIBRN Cc1ccc(OC[C@@H](C)NC(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000217912484 563715451 /nfs/dbraw/zinc/71/54/51/563715451.db2.gz PIQNJXAKJKYMKY-CUXKMMBLSA-N 0 0 313.372 3.731 40 70 DHIBRN Cc1cccc(O[C@@H](C)C(=O)NCCCc2ccc(F)cc2)c1 ZINC000218684048 201541605 /nfs/dbraw/zinc/54/16/05/201541605.db2.gz DEZYISBOECWLGH-HNNXBMFYSA-N 0 0 315.388 3.650 40 70 DHIBRN CN(CCNC(=O)C1(c2ccccc2)CCCC1)c1ccccc1 ZINC000216799185 563711245 /nfs/dbraw/zinc/71/12/45/563711245.db2.gz KOHFPLOLAFBTBL-UHFFFAOYSA-N 0 0 322.452 3.751 40 70 DHIBRN COc1ccc(-n2ccc([C@@H]3OCCN3Cc3ccco3)c2)cc1 ZINC000216746834 563711267 /nfs/dbraw/zinc/71/12/67/563711267.db2.gz RJGATRANOWLJNC-IBGZPJMESA-N 0 0 324.380 3.610 40 70 DHIBRN COC(=O)c1c(C)n(C(=O)Cc2ccccc2)c2ccccc21 ZINC000216951846 563712139 /nfs/dbraw/zinc/71/21/39/563712139.db2.gz DMLSTSSXDJNFEZ-UHFFFAOYSA-N 0 0 307.349 3.619 40 70 DHIBRN COc1ccccc1CCCNC(=O)c1cccc(Cl)c1 ZINC000217851997 563714776 /nfs/dbraw/zinc/71/47/76/563714776.db2.gz UZKNKJPGHUGZNE-UHFFFAOYSA-N 0 0 303.789 3.711 40 70 DHIBRN CCOC(=O)c1ccc(OCc2ccccc2C)c(OC)c1 ZINC000216809145 563855514 /nfs/dbraw/zinc/85/55/14/563855514.db2.gz WDWBCGHTYFUGCE-UHFFFAOYSA-N 0 0 300.354 3.759 40 70 DHIBRN CCOC(=O)c1ccc(OC)c(-c2cc3ccccc3oc2=O)c1 ZINC000216936877 201506125 /nfs/dbraw/zinc/50/61/25/201506125.db2.gz MCKXPPSWDCSMFA-UHFFFAOYSA-N 0 0 324.332 3.645 40 70 DHIBRN COc1ccccc1NCc1c(C)[nH]c2c(C)cccc2c1=O ZINC000217428036 201516875 /nfs/dbraw/zinc/51/68/75/201516875.db2.gz AWCJUPXEIHZIQI-UHFFFAOYSA-N 0 0 308.381 3.766 40 70 DHIBRN Cc1ccccc1OC[C@@H](C)NC(=O)Cc1ccc(Cl)cc1 ZINC000218529266 563716123 /nfs/dbraw/zinc/71/61/23/563716123.db2.gz ITLGQKZWRRIYDN-CQSZACIVSA-N 0 0 317.816 3.775 40 70 DHIBRN COc1ccccc1CCCNC(=O)c1ccccc1SC ZINC000218191754 201533923 /nfs/dbraw/zinc/53/39/23/201533923.db2.gz TUEVDKOLBKFUPA-UHFFFAOYSA-N 0 0 315.438 3.780 40 70 DHIBRN Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(Cl)cc2)cc1 ZINC000217849467 201526254 /nfs/dbraw/zinc/52/62/54/201526254.db2.gz JZIOPHLFVOMMDN-CYBMUJFWSA-N 0 0 303.789 3.846 40 70 DHIBRN COc1ccccc1CCCNC(=O)c1ccccc1Cl ZINC000217846317 201526739 /nfs/dbraw/zinc/52/67/39/201526739.db2.gz VKAFHZNMMSXHPS-UHFFFAOYSA-N 0 0 303.789 3.711 40 70 DHIBRN COc1ccc(CSCC(=O)N(C)Cc2ccccc2)cc1 ZINC000218109279 201531265 /nfs/dbraw/zinc/53/12/65/201531265.db2.gz LLLXATOLKYFFMK-UHFFFAOYSA-N 0 0 315.438 3.587 40 70 DHIBRN Cc1cccc(-n2ccc([C@H]3OCCN3Cc3ccco3)c2)c1 ZINC000216745529 563711231 /nfs/dbraw/zinc/71/12/31/563711231.db2.gz OXEMDIQGYVTDHN-LJQANCHMSA-N 0 0 308.381 3.910 40 70 DHIBRN Fc1ccc(-n2ccc([C@@H]3OCCN3Cc3ccco3)c2)cc1 ZINC000216746147 563711514 /nfs/dbraw/zinc/71/15/14/563711514.db2.gz CUKPKGLTVRIXLQ-SFHVURJKSA-N 0 0 312.344 3.740 40 70 DHIBRN O=C(CSCc1ccccc1)NCCCc1ccc(F)cc1 ZINC000218008007 563715468 /nfs/dbraw/zinc/71/54/68/563715468.db2.gz QZIQXGLBTYFBTA-UHFFFAOYSA-N 0 0 317.429 3.808 40 70 DHIBRN Cc1ccc(-n2ccc([C@H]3OCCN3Cc3ccco3)c2)cc1 ZINC000216745643 201498524 /nfs/dbraw/zinc/49/85/24/201498524.db2.gz PFEPOROVEZLTRB-LJQANCHMSA-N 0 0 308.381 3.910 40 70 DHIBRN COc1cccc(-n2ccc([C@@H]3OCCN3Cc3ccco3)c2)c1 ZINC000216746254 563711543 /nfs/dbraw/zinc/71/15/43/563711543.db2.gz MNYPTSWOJXGGLZ-IBGZPJMESA-N 0 0 324.380 3.610 40 70 DHIBRN CCOC(=O)c1c(C)n(C)c2ccc(OC3CCCC3)cc21 ZINC000217768049 563713766 /nfs/dbraw/zinc/71/37/66/563713766.db2.gz NRMQNQUIUPYIIX-UHFFFAOYSA-N 0 0 301.386 3.985 40 70 DHIBRN O=C(/C=C/c1ccccc1)NCCCN1CCCc2ccccc21 ZINC000217886723 563714815 /nfs/dbraw/zinc/71/48/15/563714815.db2.gz ZYXDFEGGDWGNNO-BUHFOSPRSA-N 0 0 320.436 3.659 40 70 DHIBRN COc1ccc(CCCNC(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000217911228 563715251 /nfs/dbraw/zinc/71/52/51/563715251.db2.gz LSEFBSVJLFGBAS-MDWZMJQESA-N 0 0 313.372 3.597 40 70 DHIBRN Cc1ccc(OC[C@H](C)NC(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000217912557 563715479 /nfs/dbraw/zinc/71/54/79/563715479.db2.gz PIQNJXAKJKYMKY-BLMSOEDDSA-N 0 0 313.372 3.731 40 70 DHIBRN Cc1ccc(/C=C/C(=O)N[C@@H](C)COc2ccccc2C)cc1 ZINC000218179285 563715516 /nfs/dbraw/zinc/71/55/16/563715516.db2.gz JUJATNAINVEPFA-UJGDBWEASA-N 0 0 309.409 3.900 40 70 DHIBRN CCc1ccc(C(=O)Oc2c(C)cc(C(=O)OC)cc2C)cc1 ZINC000216726325 563851342 /nfs/dbraw/zinc/85/13/42/563851342.db2.gz WYCYHQDSXLXJFJ-UHFFFAOYSA-N 0 0 312.365 3.872 40 70 DHIBRN Cc1cc2sc(-n3ncc4ccccc4c3=O)nc2c(C)c1 ZINC000216736156 201497892 /nfs/dbraw/zinc/49/78/92/201497892.db2.gz KNIHPHCOMVSPQY-UHFFFAOYSA-N 0 0 307.378 3.612 40 70 DHIBRN Cc1ccc(OCC(=O)NCCCc2ccc(F)cc2)cc1C ZINC000218719945 201542372 /nfs/dbraw/zinc/54/23/72/201542372.db2.gz WIDXZZZCPKUZAD-UHFFFAOYSA-N 0 0 315.388 3.570 40 70 DHIBRN Nc1nnc(/C=C/c2ccc(OCc3ccc(F)cc3)cc2)o1 ZINC000216894056 563711798 /nfs/dbraw/zinc/71/17/98/563711798.db2.gz HVCLWXNUWWAMGD-BJMVGYQFSA-N 0 0 311.316 3.540 40 70 DHIBRN COc1ccc(CCCNC(=O)CSc2ccccc2)cc1 ZINC000217970971 563715299 /nfs/dbraw/zinc/71/52/99/563715299.db2.gz NIIXFISCGWBRDY-UHFFFAOYSA-N 0 0 315.438 3.536 40 70 DHIBRN Cc1cccc(NC(=O)COc2cc(C)nc3ccccc32)c1 ZINC000217445613 563943453 /nfs/dbraw/zinc/94/34/53/563943453.db2.gz NRUOLSJDAIPFMV-UHFFFAOYSA-N 0 0 306.365 3.869 40 70 DHIBRN CCN1C(=O)CS[C@H]1c1ccn(-c2cccc(Cl)c2)c1 ZINC000216707427 201496163 /nfs/dbraw/zinc/49/61/63/201496163.db2.gz SJJDJUXQANIZNT-HNNXBMFYSA-N 0 0 306.818 3.725 40 70 DHIBRN CSc1ccccc1C(=O)N[C@@H](C)COc1ccc(C)cc1 ZINC000218192154 201532761 /nfs/dbraw/zinc/53/27/61/201532761.db2.gz QNGXRDSAOJTQEL-AWEZNQCLSA-N 0 0 315.438 3.914 40 70 DHIBRN Cc1ccc(OC[C@H](C)NC(=O)c2ccc(Cl)cc2)cc1 ZINC000217849562 563714818 /nfs/dbraw/zinc/71/48/18/563714818.db2.gz JZIOPHLFVOMMDN-ZDUSSCGKSA-N 0 0 303.789 3.846 40 70 DHIBRN COC(=O)c1c(C)n(C(=O)c2ccc(F)cc2)c2ccccc21 ZINC000216954196 563859784 /nfs/dbraw/zinc/85/97/84/563859784.db2.gz GTRXJVYSOSSVRT-UHFFFAOYSA-N 0 0 311.312 3.564 40 70 DHIBRN Cc1ccc(-n2ccc([C@@H]3OCCN3Cc3ccco3)c2)cc1 ZINC000216745595 201498091 /nfs/dbraw/zinc/49/80/91/201498091.db2.gz PFEPOROVEZLTRB-IBGZPJMESA-N 0 0 308.381 3.910 40 70 DHIBRN Cc1ccccc1-n1ccc([C@H]2OCCN2Cc2ccco2)c1 ZINC000216745430 563711051 /nfs/dbraw/zinc/71/10/51/563711051.db2.gz DTZWMKPEEBJPBH-LJQANCHMSA-N 0 0 308.381 3.910 40 70 DHIBRN CCC(C)=C1[C@@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000217568110 563713742 /nfs/dbraw/zinc/71/37/42/563713742.db2.gz KHBKTDJNVWPIOM-YJEJQGFLSA-N 0 0 307.393 3.643 40 70 DHIBRN Cc1ccc(CCC(=O)N[C@H](C)COc2ccc(C)cc2)cc1 ZINC000218534611 563716257 /nfs/dbraw/zinc/71/62/57/563716257.db2.gz SVZJJYDOELXMMC-QGZVFWFLSA-N 0 0 311.425 3.820 40 70 DHIBRN CSc1ccccc1C(=O)N[C@H](C)COc1ccc(C)cc1 ZINC000218192248 563716347 /nfs/dbraw/zinc/71/63/47/563716347.db2.gz QNGXRDSAOJTQEL-CQSZACIVSA-N 0 0 315.438 3.914 40 70 DHIBRN Cc1cc(C)cc(OCC(=O)NCCCc2ccc(F)cc2)c1 ZINC000218692225 563716869 /nfs/dbraw/zinc/71/68/69/563716869.db2.gz QTLOFLGPOCDHHD-UHFFFAOYSA-N 0 0 315.388 3.570 40 70 DHIBRN COC(=O)c1c(C)n(C(=O)c2cccc(C)c2)c2ccccc21 ZINC000216949864 563859265 /nfs/dbraw/zinc/85/92/65/563859265.db2.gz PRXRPYYXJUINAO-UHFFFAOYSA-N 0 0 307.349 3.733 40 70 DHIBRN COC(=O)c1nn(-c2ccccc2)c2c1[C@@H]1CC[C@@]2(C)C1(C)C ZINC000217602696 563943840 /nfs/dbraw/zinc/94/38/40/563943840.db2.gz RILGKAWFNYNOBN-ORAYPTAESA-N 0 0 310.397 3.834 40 70 DHIBRN CCc1ccccc1-n1ccc([C@H]2SCC(=O)N2CC)c1 ZINC000216708979 201497091 /nfs/dbraw/zinc/49/70/91/201497091.db2.gz NMBAXJNNGMMKTO-QGZVFWFLSA-N 0 0 300.427 3.634 40 70 DHIBRN COc1ccc(CCCNC(=O)/C=C/c2ccc(C)cc2)cc1 ZINC000218178094 563715344 /nfs/dbraw/zinc/71/53/44/563715344.db2.gz QVXIEPWOTCNPJX-SDNWHVSQSA-N 0 0 309.409 3.766 40 70 DHIBRN COc1ccccc1CCCNC(=O)/C=C/c1ccc(C)cc1 ZINC000218177953 563715508 /nfs/dbraw/zinc/71/55/08/563715508.db2.gz WDXXDCFJTDWELB-BUHFOSPRSA-N 0 0 309.409 3.766 40 70 DHIBRN Cc1ccc(COc2ccc(/C=C/c3nnc(N)o3)cc2)cc1 ZINC000216893549 201501732 /nfs/dbraw/zinc/50/17/32/201501732.db2.gz JLDCOKVAURGZRL-DHZHZOJOSA-N 0 0 307.353 3.710 40 70 DHIBRN CCOC(=O)c1c(C)n(Cc2cccnc2)c2ccc(OC)cc21 ZINC000217760214 201523942 /nfs/dbraw/zinc/52/39/42/201523942.db2.gz GZTIIBUDFRMKLG-UHFFFAOYSA-N 0 0 324.380 3.578 40 70 DHIBRN Fc1ccccc1-n1ccc([C@@H]2OCCN2Cc2ccco2)c1 ZINC000216746042 563711432 /nfs/dbraw/zinc/71/14/32/563711432.db2.gz RMZMIAMCDYJQPA-SFHVURJKSA-N 0 0 312.344 3.740 40 70 DHIBRN CCOC(=O)c1ccccc1NC(=O)Nc1cccc(OC)c1 ZINC000217273212 563713098 /nfs/dbraw/zinc/71/30/98/563713098.db2.gz JRMUZASCDFPBSA-UHFFFAOYSA-N 0 0 314.341 3.516 40 70 DHIBRN Cc1ccccc1OC[C@@H](C)NC(=O)/C=C/c1ccc(F)cc1 ZINC000217912382 563715183 /nfs/dbraw/zinc/71/51/83/563715183.db2.gz MVDIVOBMJBJYMC-SAAWKEMMSA-N 0 0 313.372 3.731 40 70 DHIBRN O=C(/C=C/c1ccc(F)cc1)NCCCc1ccc(F)cc1 ZINC000217910902 563715368 /nfs/dbraw/zinc/71/53/68/563715368.db2.gz CEUPYBLEHYNNIJ-KPKJPENVSA-N 0 0 301.336 3.727 40 70 DHIBRN Cc1ccc(/C=C/C(=O)N[C@H](C)COc2ccccc2C)cc1 ZINC000218179365 563715419 /nfs/dbraw/zinc/71/54/19/563715419.db2.gz JUJATNAINVEPFA-GZKZCVOOSA-N 0 0 309.409 3.900 40 70 DHIBRN O=C(CCc1ccccc1)NCCCN1CCCc2ccccc21 ZINC000218174304 563715535 /nfs/dbraw/zinc/71/55/35/563715535.db2.gz JVCMFRSNSCKFLO-UHFFFAOYSA-N 0 0 322.452 3.578 40 70 DHIBRN Cc1cccc(-n2ccc([C@@H]3OCCN3Cc3ccco3)c2)c1 ZINC000216745495 563710975 /nfs/dbraw/zinc/71/09/75/563710975.db2.gz OXEMDIQGYVTDHN-IBGZPJMESA-N 0 0 308.381 3.910 40 70 DHIBRN O=C(COc1ccc(Cl)cc1)NCCCc1ccc(F)cc1 ZINC000217829819 563714683 /nfs/dbraw/zinc/71/46/83/563714683.db2.gz IOHUTNNKSJBIAH-UHFFFAOYSA-N 0 0 321.779 3.607 40 70 DHIBRN Cc1ccc(/C=C/C(=O)N[C@@H](C)COc2ccc(C)cc2)cc1 ZINC000218179463 563715261 /nfs/dbraw/zinc/71/52/61/563715261.db2.gz ANPBJSXFSKUHJH-RTGRKSDTSA-N 0 0 309.409 3.900 40 70 DHIBRN Cc1ccc(OC[C@H](C)NC(=S)Nc2ccccc2)cc1 ZINC000217936311 563715339 /nfs/dbraw/zinc/71/53/39/563715339.db2.gz DIIICMDMYZCPOF-AWEZNQCLSA-N 0 0 300.427 3.749 40 70 DHIBRN Fc1ccc(-n2ccc([C@H]3OCCN3Cc3ccco3)c2)cc1 ZINC000216746190 563711340 /nfs/dbraw/zinc/71/13/40/563711340.db2.gz CUKPKGLTVRIXLQ-GOSISDBHSA-N 0 0 312.344 3.740 40 70 DHIBRN COc1cccc(CCCNC(=O)/C=C/c2ccc(F)cc2)c1 ZINC000217911142 563715207 /nfs/dbraw/zinc/71/52/07/563715207.db2.gz OEEQGJOOGGKDEQ-FMIVXFBMSA-N 0 0 313.372 3.597 40 70 DHIBRN O=C(Cc1ccc(Cl)cc1)NCCCc1ccc(F)cc1 ZINC000218528319 563715912 /nfs/dbraw/zinc/71/59/12/563715912.db2.gz MQQVXAKCNAILIQ-UHFFFAOYSA-N 0 0 305.780 3.771 40 70 DHIBRN Cc1ccc(/C=C/C(=O)N[C@H](C)COc2ccc(C)cc2)cc1 ZINC000218179554 563716222 /nfs/dbraw/zinc/71/62/22/563716222.db2.gz ANPBJSXFSKUHJH-JIIJFUIFSA-N 0 0 309.409 3.900 40 70 DHIBRN O=C(CCCOc1ccccc1)NCCCc1ccc(F)cc1 ZINC000218725056 563716884 /nfs/dbraw/zinc/71/68/84/563716884.db2.gz AXORLODQSSWMFT-UHFFFAOYSA-N 0 0 315.388 3.734 40 70 DHIBRN Cc1ccc(Cc2nnc3sc(-c4ccccc4)nn23)cc1 ZINC000216756264 563852008 /nfs/dbraw/zinc/85/20/08/563852008.db2.gz ZQJLOPMYMPWEHG-UHFFFAOYSA-N 0 0 306.394 3.752 40 70 DHIBRN COC(=O)c1c(C)n(C(=O)c2ccccc2C)c2ccccc21 ZINC000216949837 563859262 /nfs/dbraw/zinc/85/92/62/563859262.db2.gz FMIPYWJZKUGDBU-UHFFFAOYSA-N 0 0 307.349 3.733 40 70 DHIBRN NC(=O)c1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000216947654 563859322 /nfs/dbraw/zinc/85/93/22/563859322.db2.gz XDVHVIMISFTCSH-UHFFFAOYSA-N 0 0 300.361 3.942 40 70 DHIBRN CCCC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3C)o2)C1 ZINC000216647216 257232771 /nfs/dbraw/zinc/23/27/71/257232771.db2.gz HXVFGDDDWNNCQQ-CQSZACIVSA-N 0 0 313.401 3.551 40 70 DHIBRN CCN(CC)c1ccc(-c2nn3c(nnc3C(F)F)s2)cc1 ZINC000216885544 563712310 /nfs/dbraw/zinc/71/23/10/563712310.db2.gz CKIUBLGFXHODMI-UHFFFAOYSA-N 0 0 323.372 3.637 40 70 DHIBRN CCOc1ccc(CCCNC(=O)CCc2ccccc2)cc1 ZINC000218171596 563715334 /nfs/dbraw/zinc/71/53/34/563715334.db2.gz DNGMEBJZDWSWOO-UHFFFAOYSA-N 0 0 311.425 3.767 40 70 DHIBRN NC(=O)c1cn(C(=O)c2cccc3ccccc32)c2ccccc12 ZINC000216950926 563859187 /nfs/dbraw/zinc/85/91/87/563859187.db2.gz OCKUTEVVBXMFPZ-UHFFFAOYSA-N 0 0 314.344 3.582 40 70 DHIBRN COc1cccc(CCCNC(=S)Nc2ccccc2)c1 ZINC000217935183 201527454 /nfs/dbraw/zinc/52/74/54/201527454.db2.gz CGXHRMAPEZSBLE-UHFFFAOYSA-N 0 0 300.427 3.614 40 70 DHIBRN COc1ccccc1CCCNC(=O)CSc1ccccc1 ZINC000217970851 201530305 /nfs/dbraw/zinc/53/03/05/201530305.db2.gz UYLWBRFVNKLAIQ-UHFFFAOYSA-N 0 0 315.438 3.536 40 70 DHIBRN CC(C)Oc1cccc(CNC(=O)/C=C/c2ccc(F)cc2)c1 ZINC000217910387 563715331 /nfs/dbraw/zinc/71/53/31/563715331.db2.gz FPZZBKZGMXYGQV-DHZHZOJOSA-N 0 0 313.372 3.943 40 70 DHIBRN COc1ccccc1CCCNC(=O)CCc1ccc(C)cc1 ZINC000218533084 563716137 /nfs/dbraw/zinc/71/61/37/563716137.db2.gz CXJIYSCGRLPGEF-UHFFFAOYSA-N 0 0 311.425 3.685 40 70 DHIBRN Cc1cccc(O[C@H](C)C(=O)NCCCc2ccc(F)cc2)c1 ZINC000218684121 563716960 /nfs/dbraw/zinc/71/69/60/563716960.db2.gz DEZYISBOECWLGH-OAHLLOKOSA-N 0 0 315.388 3.650 40 70 DHIBRN Brc1cccc(Cn2ccc(-c3ccccn3)n2)c1 ZINC000216693152 563710843 /nfs/dbraw/zinc/71/08/43/563710843.db2.gz HDWYGCPSBLUXQX-UHFFFAOYSA-N 0 0 314.186 3.756 40 70 DHIBRN COc1ccccc1-n1ccc([C@H]2OCCN2Cc2ccco2)c1 ZINC000216746762 563711322 /nfs/dbraw/zinc/71/13/22/563711322.db2.gz YCLLUKYTZWPSNE-LJQANCHMSA-N 0 0 324.380 3.610 40 70 DHIBRN Cc1ccccc1COc1ccc(/C=C/c2nnc(N)o2)cc1 ZINC000216893372 563711844 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40 70 DHIBRN COc1cccc(-n2ccc([C@H]3OCCN3Cc3ccco3)c2)c1 ZINC000216746299 563711103 /nfs/dbraw/zinc/71/11/03/563711103.db2.gz MNYPTSWOJXGGLZ-LJQANCHMSA-N 0 0 324.380 3.610 40 70 DHIBRN Cc1ccc(SCC(=O)NCCCc2ccc(F)cc2)cc1 ZINC000217975392 563715503 /nfs/dbraw/zinc/71/55/03/563715503.db2.gz MSLUNQAGZSELFS-UHFFFAOYSA-N 0 0 317.429 3.975 40 70 DHIBRN COc1ccccc1CCCNC(=O)Cc1ccc(Cl)cc1 ZINC000218528431 563716179 /nfs/dbraw/zinc/71/61/79/563716179.db2.gz WAFYLDVNKBUYHN-UHFFFAOYSA-N 0 0 317.816 3.640 40 70 DHIBRN COc1ccccc1CCCNC(=O)/C=C/c1ccc(F)cc1 ZINC000217911023 201527935 /nfs/dbraw/zinc/52/79/35/201527935.db2.gz ZJJFVVCCKUAYHI-JLHYYAGUSA-N 0 0 313.372 3.597 40 70 DHIBRN COc1ccccc1CCCNC(=O)c1ccc(Cl)cc1 ZINC000217849171 563714482 /nfs/dbraw/zinc/71/44/82/563714482.db2.gz QXUSLAUKVMCIRV-UHFFFAOYSA-N 0 0 303.789 3.711 40 70 DHIBRN