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)(C)c1ccc(CN2CC[C@@](F)(CO)C2)cc1 ZINC000338625955 519029517 /nfs/dbraw/zinc/02/95/17/519029517.db2.gz PFJARZVGLMGEHD-INIZCTEOSA-N 0 1 265.372 2.890 50 0 CFAAMN CC(C)(C)c1ccc(CN2CC[C@](F)(CO)C2)cc1 ZINC000338625958 519029966 /nfs/dbraw/zinc/02/99/66/519029966.db2.gz PFJARZVGLMGEHD-MRXNPFEDSA-N 0 1 265.372 2.890 50 0 CFAAMN Cc1nnc(CN[C@@H]2C[C@H](OC(C)C)C2(C)C)s1 ZINC000361027354 526345219 /nfs/dbraw/zinc/34/52/19/526345219.db2.gz XZNCOIDAQINTRL-MNOVXSKESA-N 0 1 269.414 2.528 50 0 CFAAMN CCN(Cc1cnn(C)c1)Cc1cc(F)ccc1C ZINC000179978174 528877027 /nfs/dbraw/zinc/87/70/27/528877027.db2.gz ZBMWIAJBBOKFOA-UHFFFAOYSA-N 0 1 261.344 2.890 50 0 CFAAMN CCS[C@@H]1CC[C@H](N(C)CC(=O)Nc2cc(C)on2)C1 ZINC000096441708 529221235 /nfs/dbraw/zinc/22/12/35/529221235.db2.gz FRGPVYIMSYSRLH-NWDGAFQWSA-N 0 1 297.424 2.528 50 0 CFAAMN CCS[C@H]1CC[C@H](N(C)CC(=O)Nc2cc(C)on2)C1 ZINC000096441709 529234531 /nfs/dbraw/zinc/23/45/31/529234531.db2.gz FRGPVYIMSYSRLH-RYUDHWBXSA-N 0 1 297.424 2.528 50 0 CFAAMN CN1CCN(c2ccc(NC(=O)[C@H]3CC=CCC3)cc2)CC1 ZINC000007988827 536423173 /nfs/dbraw/zinc/42/31/73/536423173.db2.gz CTMJFUGDCDNNLX-HNNXBMFYSA-N 0 1 299.418 2.733 50 0 CFAAMN CCCN1C[C@H](NCc2ccc(F)c(Cl)c2)CC1=O ZINC000952962232 614813311 /nfs/dbraw/zinc/81/33/11/614813311.db2.gz CJSGHAWERCTNTE-LLVKDONJSA-N 0 1 284.762 2.580 50 0 CFAAMN O=S(=O)(NC(=C(F)F)C(F)(F)F)c1ccccc1 ZINC000100300527 617767138 /nfs/dbraw/zinc/76/71/38/617767138.db2.gz IBCOACFMUBBMAI-UHFFFAOYSA-N 0 1 287.209 2.635 50 0 CFAAMN Cc1nc([C@@H]2CNC(=O)C2)[nH]c1-c1ccc(Cl)s1 ZINC000023214446 618133720 /nfs/dbraw/zinc/13/37/20/618133720.db2.gz PTYNSYWLNPTSGT-ZETCQYMHSA-N 0 1 281.768 2.704 50 0 CFAAMN Cc1ccc(-c2cc(C(=O)N3CCC(F)CC3)n[nH]2)cc1 ZINC000826535559 618173273 /nfs/dbraw/zinc/17/32/73/618173273.db2.gz QRAYNRKMNCJSDN-UHFFFAOYSA-N 0 1 287.338 2.959 50 0 CFAAMN CN(Cc1cncn1C)C(C)(C)c1ccc2c(c1)OCO2 ZINC000177028073 618255483 /nfs/dbraw/zinc/25/54/83/618255483.db2.gz PGSXNDRKVPRGQL-UHFFFAOYSA-N 0 1 287.363 2.516 50 0 CFAAMN CCc1nc([C@H](C)OC(=O)c2ccc(C)cc2F)n[nH]1 ZINC000888101118 619133396 /nfs/dbraw/zinc/13/33/96/619133396.db2.gz GMZWZXDIXYVBMI-VIFPVBQESA-N 0 1 277.299 2.733 50 0 CFAAMN Cc1cccc2nc([C@H]3CCCN3Cc3ncc[nH]3)[nH]c21 ZINC000067821893 620890155 /nfs/dbraw/zinc/89/01/55/620890155.db2.gz FRVDSKDYENPIRD-CYBMUJFWSA-N 0 1 281.363 2.932 50 0 CFAAMN CC(C)c1nnc2n1CC[N@H+](Cc1cccs1)CC2 ZINC000011838945 626194580 /nfs/dbraw/zinc/19/45/80/626194580.db2.gz REJMARPWYIGOAB-UHFFFAOYSA-N 0 1 276.409 2.521 50 0 CFAAMN CC(C)c1nnc2n1CCN(Cc1cccs1)CC2 ZINC000011838945 626194583 /nfs/dbraw/zinc/19/45/83/626194583.db2.gz REJMARPWYIGOAB-UHFFFAOYSA-N 0 1 276.409 2.521 50 0 CFAAMN C[C@H](C1CC1)N(Cc1nc2ccccc2c(=O)n1C)C1CC1 ZINC000195514512 650756152 /nfs/dbraw/zinc/75/61/52/650756152.db2.gz USLSOOMDJOKINM-GFCCVEGCSA-N 0 1 297.402 2.696 50 0 CFAAMN Cc1ccc(F)cc1[C@@H](C(=O)[O-])[N@@H+](C)CC1CCOCC1 ZINC000095374651 650971855 /nfs/dbraw/zinc/97/18/55/650971855.db2.gz MTHOGAJGRDMBLR-HNNXBMFYSA-N 0 1 295.354 2.618 50 0 CFAAMN COc1ccccc1NC1=NNC(=C2C=CC=N2)CS1 ZINC000104981197 647694723 /nfs/dbraw/zinc/69/47/23/647694723.db2.gz LKIDPILLZKHSIE-BENRWUELSA-N 0 1 286.360 2.567 50 0 CFAAMN CCN(CC)CC(=O)Nc1cc(C)nc2ccccc21 ZINC000000104302 651098665 /nfs/dbraw/zinc/09/86/65/651098665.db2.gz LKDJDCCTFDPUNM-UHFFFAOYSA-N 0 1 271.364 2.824 50 0 CFAAMN CN(C)c1ncccc1CNCc1cccc2cccnc21 ZINC000015070317 651185009 /nfs/dbraw/zinc/18/50/09/651185009.db2.gz CUEIJULDRGMZNO-UHFFFAOYSA-N 0 1 292.386 2.986 50 0 CFAAMN CCCN1CCCC[C@H]1C(=O)NNc1ccc(F)cc1 ZINC000049519547 779127297 /nfs/dbraw/zinc/12/72/97/779127297.db2.gz VTMDLDJXHVRPAX-AWEZNQCLSA-N 0 1 279.359 2.533 50 0 CFAAMN CCCCS(=O)(=O)N[C@H](C)c1nc2ccc(C)cc2[nH]1 ZINC000822880426 781912562 /nfs/dbraw/zinc/91/25/62/781912562.db2.gz NKJYWLBKWDKEBO-LLVKDONJSA-N 0 1 295.408 2.652 50 0 CFAAMN CCCCS(=O)(=O)N[C@@H](C)c1nc2ccc(C)cc2[nH]1 ZINC000822880427 781913335 /nfs/dbraw/zinc/91/33/35/781913335.db2.gz NKJYWLBKWDKEBO-NSHDSACASA-N 0 1 295.408 2.652 50 0 CFAAMN Cc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)c(C)c1 ZINC000005579217 230369659 /nfs/dbraw/zinc/36/96/59/230369659.db2.gz JJLWVAIDGQICGF-UHFFFAOYSA-N 0 1 291.376 2.511 50 0 CFAAMN Cc1occc1C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000096444436 230374298 /nfs/dbraw/zinc/37/42/98/230374298.db2.gz VMFREMXLRYCHAH-UHFFFAOYSA-N 0 1 273.267 2.533 50 0 CFAAMN COc1c(F)cccc1C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000097743116 230387119 /nfs/dbraw/zinc/38/71/19/230387119.db2.gz QGRKYDWIYJBGJA-LBPRGKRZSA-N 0 1 295.354 2.911 50 0 CFAAMN COc1cccc2c1OC[C@@H](Cc1ccc(C)nc1N)C2 ZINC000095530017 185004641 /nfs/dbraw/zinc/00/46/41/185004641.db2.gz NEZHDUJLPMBVNG-GFCCVEGCSA-N 0 1 284.359 2.775 50 0 CFAAMN Cc1noc(C)c1CNCc1c[nH]nc1-c1ccccc1 ZINC000095955448 185041735 /nfs/dbraw/zinc/04/17/35/185041735.db2.gz PARYREDQTRFDAX-UHFFFAOYSA-N 0 1 282.347 2.971 50 0 CFAAMN CCOc1ccc(N(C)C(=O)[C@@H](N)Cc2ccccc2)cc1 ZINC000097019165 185153288 /nfs/dbraw/zinc/15/32/88/185153288.db2.gz VHVMSUWDIOYCQZ-KRWDZBQOSA-N 0 1 298.386 2.618 50 0 CFAAMN COc1ccc([C@H](CO)NCc2cc(F)cc(F)c2)cc1 ZINC000097021684 185153828 /nfs/dbraw/zinc/15/38/28/185153828.db2.gz VFHLKDGEPIZWCP-INIZCTEOSA-N 0 1 293.313 2.797 50 0 CFAAMN CCc1csc([C@H]2CCC[N@@H+](CCCC(=O)[O-])C2)n1 ZINC000116389651 529693112 /nfs/dbraw/zinc/69/31/12/529693112.db2.gz QDIBRGVIQFNGEU-NSHDSACASA-N 0 1 282.409 2.750 50 0 CFAAMN Cc1nn(C)c(N(C)C)c1CN[C@@H]1CCc2cc(C)ccc21 ZINC000065502696 282268734 /nfs/dbraw/zinc/26/87/34/282268734.db2.gz ZBSCJJXPVCZVFQ-QGZVFWFLSA-N 0 1 298.434 2.880 50 0 CFAAMN COc1ccc(CCCC2N=NC(=S)O2)c(C)c1 ZINC000013111195 539367272 /nfs/dbraw/zinc/36/72/72/539367272.db2.gz IOZOAWQAIGAGDY-UHFFFAOYSA-N 0 1 264.350 2.851 50 0 CFAAMN C[C@@H]1CN(CCn2cc(-c3ccccc3)cn2)C[C@@H](C)O1 ZINC000075105640 347055871 /nfs/dbraw/zinc/05/58/71/347055871.db2.gz WZIGEJSGNLISCY-HUUCEWRRSA-N 0 1 285.391 2.659 50 0 CFAAMN C[C@H]1CN(CCn2cc(-c3ccccc3)cn2)C[C@H](C)O1 ZINC000075105638 347056039 /nfs/dbraw/zinc/05/60/39/347056039.db2.gz WZIGEJSGNLISCY-GJZGRUSLSA-N 0 1 285.391 2.659 50 0 CFAAMN CN(Cc1cccnc1)[C@H](CCO)c1ccccc1 ZINC000096441573 530006533 /nfs/dbraw/zinc/00/65/33/530006533.db2.gz BPWFRAVHLQVORQ-MRXNPFEDSA-N 0 1 256.349 2.637 50 0 CFAAMN Cc1noc(C)c1CNC[C@H]1COC2(CCC(C)CC2)O1 ZINC000095991156 282386938 /nfs/dbraw/zinc/38/69/38/282386938.db2.gz ZDKGZFSZARVATO-WMEQCIOUSA-N 0 1 294.395 2.703 50 0 CFAAMN CC(C)(C)[C@@H](CO)NCc1coc(-c2cccs2)n1 ZINC000097238084 185570946 /nfs/dbraw/zinc/57/09/46/185570946.db2.gz LOUKNYMZZSRCPW-GFCCVEGCSA-N 0 1 280.393 2.900 50 0 CFAAMN O=c1c2cc(F)ccc2[nH]c(=S)n1Cc1ccccn1 ZINC000000425284 346204778 /nfs/dbraw/zinc/20/47/78/346204778.db2.gz OCHMONCXPGEGHW-UHFFFAOYSA-N 0 1 287.319 2.641 50 0 CFAAMN FC(F)(F)c1[n-]c(Br)nc1Br ZINC000008698427 346224557 /nfs/dbraw/zinc/22/45/57/346224557.db2.gz JOTAIPGEZUZEEJ-UHFFFAOYSA-N 0 1 293.868 2.954 50 0 CFAAMN FC(F)(F)c1[nH]c(Br)nc1Br ZINC000008698427 346224558 /nfs/dbraw/zinc/22/45/58/346224558.db2.gz JOTAIPGEZUZEEJ-UHFFFAOYSA-N 0 1 293.868 2.954 50 0 CFAAMN COCCN(CC(=O)Nc1ccccc1C)C1CCCC1 ZINC000026447211 346265208 /nfs/dbraw/zinc/26/52/08/346265208.db2.gz WVRRWSSGTYUXCM-UHFFFAOYSA-N 0 1 290.407 2.825 50 0 CFAAMN Cc1nc(CNC(=O)C2CCC(c3ccccc3)CC2)n[nH]1 ZINC000076065957 347117471 /nfs/dbraw/zinc/11/74/71/347117471.db2.gz ONQSPKHXHFGQLW-UHFFFAOYSA-N 0 1 298.390 2.703 50 0 CFAAMN Cc1cc([C@H](C)NCC(=O)N2CCC(C)CC2)c(C)o1 ZINC000097373919 347709300 /nfs/dbraw/zinc/70/93/00/347709300.db2.gz AXUSUCLNXATUFN-ZDUSSCGKSA-N 0 1 278.396 2.806 50 0 CFAAMN C[C@H](NC[C@@H]1COc2ccccc2O1)c1nccs1 ZINC000086508046 179303896 /nfs/dbraw/zinc/30/38/96/179303896.db2.gz JRYIEVGSOPLTKD-WDEREUQCSA-N 0 1 276.361 2.634 50 0 CFAAMN C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000086790270 179334770 /nfs/dbraw/zinc/33/47/70/179334770.db2.gz OEQXROPJRFRUBA-SCZZXKLOSA-N 0 1 271.719 2.947 50 0 CFAAMN COC[C@](C)(NCc1nc(C)ccc1O)c1ccccc1 ZINC000154693462 347981852 /nfs/dbraw/zinc/98/18/52/347981852.db2.gz BXFCDPDXYBBWJD-KRWDZBQOSA-N 0 1 286.375 2.747 50 0 CFAAMN C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000086789593 179334650 /nfs/dbraw/zinc/33/46/50/179334650.db2.gz NMBHVYMBXOAZTC-KOLCDFICSA-N 0 1 298.180 2.917 50 0 CFAAMN CC[C@H](NCC(=O)Nc1nccs1)c1cccs1 ZINC000184068859 348127229 /nfs/dbraw/zinc/12/72/29/348127229.db2.gz FVBIXKRKVSABOD-VIFPVBQESA-N 0 1 281.406 2.884 50 0 CFAAMN CC1CCC([N@@H+](CCC(=O)[O-])C[C@H]2CCCO2)CC1 ZINC000236665941 348236039 /nfs/dbraw/zinc/23/60/39/348236039.db2.gz AWQFELSBOSPWQH-JXQTWKCFSA-N 0 1 269.385 2.521 50 0 CFAAMN CC[C@@H]1CCCC[C@@H]1CN[C@H](C)c1ncn(C)n1 ZINC000401621576 348577817 /nfs/dbraw/zinc/57/78/17/348577817.db2.gz ROONUDKLYMYPNV-JHJVBQTASA-N 0 1 250.390 2.682 50 0 CFAAMN Cc1cnc(C)n1[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000409421151 348600425 /nfs/dbraw/zinc/60/04/25/348600425.db2.gz QAKROAJHALYKMX-KRWDZBQOSA-N 0 1 297.402 2.906 50 0 CFAAMN CCc1[nH]nc2c1CN(C(=O)[C@H]1CCc3ccccc31)CC2 ZINC000584893486 348730393 /nfs/dbraw/zinc/73/03/93/348730393.db2.gz GJWNDQGXAAKUOJ-AWEZNQCLSA-N 0 1 295.386 2.587 50 0 CFAAMN O=C(NC1CCCC1)c1[nH]nc(C2CC2)c1Cl ZINC000079074433 539741631 /nfs/dbraw/zinc/74/16/31/539741631.db2.gz YHYMMEVGWBJICR-UHFFFAOYSA-N 0 1 253.733 2.613 50 0 CFAAMN CSCCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000091445190 180156809 /nfs/dbraw/zinc/15/68/09/180156809.db2.gz KQAWCHWFVZVEAL-UONOGXRCSA-N 0 1 279.405 2.540 50 0 CFAAMN Clc1ccc2nc(CNc3ncccn3)[nH]c2c1 ZINC000091594988 180201476 /nfs/dbraw/zinc/20/14/76/180201476.db2.gz DYGXEXZFECLGGO-UHFFFAOYSA-N 0 1 259.700 2.618 50 0 CFAAMN CCCc1cc(C(=O)N2CC[C@@H]2c2cccc(OC)c2)n[nH]1 ZINC000091907198 180284131 /nfs/dbraw/zinc/28/41/31/180284131.db2.gz CTADOWVXGLOVGB-MRXNPFEDSA-N 0 1 299.374 2.958 50 0 CFAAMN O=C([O-])[C@@H]1C[N@H+](Cc2cccc(O)c2)C[C@H]1c1ccccc1 ZINC000091973685 180296545 /nfs/dbraw/zinc/29/65/45/180296545.db2.gz IQRMFCREXCRSGU-DLBZAZTESA-N 0 1 297.354 2.692 50 0 CFAAMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(OC)ccc2F)C1 ZINC000091988538 180299498 /nfs/dbraw/zinc/29/94/98/180299498.db2.gz UPLNXIROSOOFEL-MRXNPFEDSA-N 0 1 295.354 2.911 50 0 CFAAMN C[C@H](C(=O)NCc1ccco1)N(C)[C@H](C)c1ccccc1 ZINC000105870457 186081413 /nfs/dbraw/zinc/08/14/13/186081413.db2.gz BRUACDORBRZLDY-ZIAGYGMSSA-N 0 1 286.375 2.977 50 0 CFAAMN C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CCC(=O)[O-] ZINC000106061021 186100496 /nfs/dbraw/zinc/10/04/96/186100496.db2.gz GFKLCQATXNLCOV-VIFPVBQESA-N 0 1 264.350 2.764 50 0 CFAAMN CC[C@@H](NC(=O)CN1CCCCCC1)c1ccc(C)cn1 ZINC000222233241 539990188 /nfs/dbraw/zinc/99/01/88/539990188.db2.gz VWJVLBHVAWGCBB-OAHLLOKOSA-N 0 1 289.423 2.833 50 0 CFAAMN Cc1n[nH]cc1CN[C@H]1CCCOc2ccccc21 ZINC000155480956 188209559 /nfs/dbraw/zinc/20/95/59/188209559.db2.gz GKJSEPYEWPAHMA-AWEZNQCLSA-N 0 1 257.337 2.722 50 0 CFAAMN COC[C@@H](O)CN[C@@H](C)c1cc(Cl)cc(Cl)c1F ZINC000685940245 540020852 /nfs/dbraw/zinc/02/08/52/540020852.db2.gz ADHQZZNBARODSS-CBAPKCEASA-N 0 1 296.169 2.790 50 0 CFAAMN O=C([O-])C[N@H+]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000670436564 540994153 /nfs/dbraw/zinc/99/41/53/540994153.db2.gz SNUZVFZMUHKVQO-LLVKDONJSA-N 0 1 253.729 2.604 50 0 CFAAMN CN1CCN(Cc2ccc3ccccc3c2)CCC1=O ZINC000015070362 541012617 /nfs/dbraw/zinc/01/26/17/541012617.db2.gz RMNLWURFBDCAEZ-UHFFFAOYSA-N 0 1 268.360 2.504 50 0 CFAAMN O=C(N[C@H]1CCCc2ccccc21)[C@H]1CCc2[nH]cnc2C1 ZINC000225512751 284186643 /nfs/dbraw/zinc/18/66/43/284186643.db2.gz RSWYINREZIUJFR-ZFWWWQNUSA-N 0 1 295.386 2.708 50 0 CFAAMN O=C(CN1CCCC1)NCC1(c2ccccc2)CCCC1 ZINC000000209556 371559159 /nfs/dbraw/zinc/55/91/59/371559159.db2.gz LACAMUOHGHUAPI-UHFFFAOYSA-N 0 1 286.419 2.710 50 0 CFAAMN CC1(C)CN(Nc2ncc(C(F)(F)F)cc2Cl)C1=O ZINC000001404712 371673992 /nfs/dbraw/zinc/67/39/92/371673992.db2.gz QABVFJYNBSGWSG-UHFFFAOYSA-N 0 1 293.676 2.949 50 0 CFAAMN O=c1cc(-c2ccccc2)oc2cc3c(c([O-])c12)OCCO3 ZINC000000518600 371633394 /nfs/dbraw/zinc/63/33/94/371633394.db2.gz 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CC(C)Oc1ccc(/C=C2/[C@@H](O)C3CCN2CC3)cc1 ZINC000012382750 371957060 /nfs/dbraw/zinc/95/70/60/371957060.db2.gz LDEBHZYOXTUQCH-NIFLVVHWSA-N 0 1 273.376 2.901 50 0 CFAAMN CC(C)(C)C(=O)NCCc1cnc(-c2ccccc2)[nH]1 ZINC000013627902 372036631 /nfs/dbraw/zinc/03/66/31/372036631.db2.gz WRGOYDJDBITGKR-UHFFFAOYSA-N 0 1 271.364 2.782 50 0 CFAAMN C[C@H](NC(=O)CN1CCC[C@@H](C)C1)c1cccs1 ZINC000012993424 372007950 /nfs/dbraw/zinc/00/79/50/372007950.db2.gz XWPRXRQVSRXMKZ-NEPJUHHUSA-N 0 1 266.410 2.657 50 0 CFAAMN C[C@@H](C(=O)NCc1ccco1)N(C)[C@@H](C)c1ccccc1 ZINC000016699585 372117770 /nfs/dbraw/zinc/11/77/70/372117770.db2.gz BRUACDORBRZLDY-KBPBESRZSA-N 0 1 286.375 2.977 50 0 CFAAMN C[C@H]1CCCN(Cc2cc(F)cc3c2OCOC3)C1 ZINC000016047107 372098345 /nfs/dbraw/zinc/09/83/45/372098345.db2.gz UFYZJQUGCBFORI-NSHDSACASA-N 0 1 265.328 2.924 50 0 CFAAMN CCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000019536962 372173849 /nfs/dbraw/zinc/17/38/49/372173849.db2.gz BAVSZUFIAQAWPW-UHFFFAOYSA-N 0 1 272.314 2.843 50 0 CFAAMN 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O=C(NCc1nc(-c2ccccc2)n[nH]1)C1CCCCC1 ZINC000072280414 176358303 /nfs/dbraw/zinc/35/83/03/176358303.db2.gz PPYUBWKOQWJHCB-UHFFFAOYSA-N 0 1 284.363 2.668 50 0 CFAAMN O=C(CN1CCCCC1)Nc1c[nH]c2ccccc12 ZINC000072402040 176397152 /nfs/dbraw/zinc/39/71/52/176397152.db2.gz JRBUWBSLPINEBM-UHFFFAOYSA-N 0 1 257.337 2.592 50 0 CFAAMN Fc1ccc2[nH]c([C@@H]3CCCN3Cc3cnc[nH]3)nc2c1 ZINC000077321714 177252993 /nfs/dbraw/zinc/25/29/93/177252993.db2.gz FRVDVEYJNJDVKS-AWEZNQCLSA-N 0 1 285.326 2.762 50 0 CFAAMN Cc1cc(C)nc(CN2CCCC[C@@H]2CCn2cccn2)n1 ZINC000077379162 177260457 /nfs/dbraw/zinc/26/04/57/177260457.db2.gz USZQNFVNZKARBH-MRXNPFEDSA-N 0 1 299.422 2.735 50 0 CFAAMN O=C(CCCc1ccc(Cl)cc1)N1[C@@H]2CC[C@H]1CNC2 ZINC000077459648 177271446 /nfs/dbraw/zinc/27/14/46/177271446.db2.gz LFRIOBWDSQSLIV-GASCZTMLSA-N 0 1 292.810 2.626 50 0 CFAAMN Cc1noc(C)c1C[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000075132246 260165971 /nfs/dbraw/zinc/16/59/71/260165971.db2.gz XSAVNRBSNHCAPL-HNNXBMFYSA-N 0 1 288.395 2.979 50 0 CFAAMN Cc1noc(C)c1CN1CCC[C@H]1c1c(C)nn(C)c1C ZINC000075132246 260165973 /nfs/dbraw/zinc/16/59/73/260165973.db2.gz XSAVNRBSNHCAPL-HNNXBMFYSA-N 0 1 288.395 2.979 50 0 CFAAMN O=C(c1ccnc2ccccc21)N1CCN2CCCC[C@H]2C1 ZINC000195085394 270250245 /nfs/dbraw/zinc/25/02/45/270250245.db2.gz VDYMYOHNTOKGHV-AWEZNQCLSA-N 0 1 295.386 2.545 50 0 CFAAMN C[C@@H](O)CN(Cc1ccc(Cl)cc1Cl)C[C@@H](C)O ZINC000000757397 274267090 /nfs/dbraw/zinc/26/70/90/274267090.db2.gz BNUNIMZITWKVNR-NXEZZACHSA-N 0 1 292.206 2.557 50 0 CFAAMN Cc1nc(N)ccc1C[C@@H]1COc2ccccc2C1 ZINC000091914634 274840632 /nfs/dbraw/zinc/84/06/32/274840632.db2.gz GRHOKKVXWLMBTL-LBPRGKRZSA-N 0 1 254.333 2.766 50 0 CFAAMN CCN(CC)CCn1c(C)nc(=O)c(-c2ccccc2)c1C ZINC000004472877 276101961 /nfs/dbraw/zinc/10/19/61/276101961.db2.gz UUCSGAUKOYGFED-UHFFFAOYSA-N 0 1 299.418 2.869 50 0 CFAAMN CS(=O)(=O)c1ccc(-c2cccc3c(N)ccnc32)cc1 ZINC000065411029 278118054 /nfs/dbraw/zinc/11/80/54/278118054.db2.gz IGQORAIBOIAYFQ-UHFFFAOYSA-N 0 1 298.367 2.888 50 0 CFAAMN CC/C=C(/C)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000065592242 278162841 /nfs/dbraw/zinc/16/28/41/278162841.db2.gz QUMCNVMVVXTKEN-RDQDRAATSA-N 0 1 266.410 2.823 50 0 CFAAMN C[C@H]1CCc2c(C(=O)N3CCCN(C)CC3)csc2C1 ZINC000020501110 278386707 /nfs/dbraw/zinc/38/67/07/278386707.db2.gz AYSPUXGIUCPVAY-LBPRGKRZSA-N 0 1 292.448 2.651 50 0 CFAAMN CCN(CC)[C@@H](C(=O)NCc1cccnc1)c1ccccc1 ZINC000065551547 279141425 /nfs/dbraw/zinc/14/14/25/279141425.db2.gz LNSHQNWCIBEYGJ-QGZVFWFLSA-N 0 1 297.402 2.781 50 0 CFAAMN CC(C)N(C(=O)CN1CCC[C@H]1c1cccn1C)C(C)C ZINC000067445133 279280665 /nfs/dbraw/zinc/28/06/65/279280665.db2.gz ZJVUTVWSSJYASR-INIZCTEOSA-N 0 1 291.439 2.807 50 0 CFAAMN Cc1cc(Br)cc2c3[nH][nH]c(=O)c3cnc12 ZINC000046085289 280309086 /nfs/dbraw/zinc/30/90/86/280309086.db2.gz TVUCVSHENCIROF-UHFFFAOYSA-N 0 1 278.109 2.888 50 0 CFAAMN O=S(=O)(c1ncc[nH]1)[C@H]1CCc2c1cccc2Cl ZINC000097020744 280342111 /nfs/dbraw/zinc/34/21/11/280342111.db2.gz URWHMYCCVVZIDE-NSHDSACASA-N 0 1 282.752 2.524 50 0 CFAAMN 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CFAAMN Cc1[nH]nc(CCC(=O)N[C@@H](C)c2ncccc2C)c1C ZINC000534660444 328339174 /nfs/dbraw/zinc/33/91/74/328339174.db2.gz IBMKNFUTMZPPND-ZDUSSCGKSA-N 0 1 286.379 2.540 50 0 CFAAMN CCc1nc(C)c(CNC(=O)c2[nH]nc(CC)c2C)s1 ZINC000534657129 328340770 /nfs/dbraw/zinc/34/07/70/328340770.db2.gz HGOKAQVCHPGEES-UHFFFAOYSA-N 0 1 292.408 2.538 50 0 CFAAMN CC[C@@H](NC(=O)c1[nH]nc(C)c1Cl)c1ncccc1C ZINC000534667023 328345515 /nfs/dbraw/zinc/34/55/15/328345515.db2.gz MFIYYSSTNNBXRW-SNVBAGLBSA-N 0 1 292.770 2.956 50 0 CFAAMN CCCc1nnc(SCC[C@H]2CCCC2=O)[nH]1 ZINC000096450930 528680572 /nfs/dbraw/zinc/68/05/72/528680572.db2.gz ANEOVZCGDREDEA-SECBINFHSA-N 0 1 253.371 2.609 50 0 CFAAMN CCCc1n[nH]c(SCC[C@H]2CCCC2=O)n1 ZINC000096450930 528680574 /nfs/dbraw/zinc/68/05/74/528680574.db2.gz ANEOVZCGDREDEA-SECBINFHSA-N 0 1 253.371 2.609 50 0 CFAAMN CCS[C@H]1CCC[C@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC000096451533 529230868 /nfs/dbraw/zinc/23/08/68/529230868.db2.gz ZTLQUJYVTAYDDM-QWRGUYRKSA-N 0 1 293.436 2.693 50 0 CFAAMN Cc1nc(C)c(CN[C@@H]2c3ccccc3C[C@H]2O)s1 ZINC000089559235 545502472 /nfs/dbraw/zinc/50/24/72/545502472.db2.gz ADUNKYULLPFIHX-UKRRQHHQSA-N 0 1 274.389 2.508 50 0 CFAAMN CCCCCC[C@@H](C)CCCc1c(O)[nH]c(=O)[nH]c1=O ZINC000002895602 618081020 /nfs/dbraw/zinc/08/10/20/618081020.db2.gz NBRVPNGEUJTPOL-LLVKDONJSA-N 0 1 282.384 2.745 50 0 CFAAMN CN(Cc1nnc[nH]1)Cc1cccc(OC2CCCC2)c1 ZINC000179791837 624977801 /nfs/dbraw/zinc/97/78/01/624977801.db2.gz VQBHVTLECYDVQW-UHFFFAOYSA-N 0 1 286.379 2.758 50 0 CFAAMN FC(F)(F)c1cnccc1N1CC[C@H](c2cnccn2)C1 ZINC000952995510 626125079 /nfs/dbraw/zinc/12/50/79/626125079.db2.gz OCGYZGJYNJVMGN-JTQLQIEISA-N 0 1 294.280 2.884 50 0 CFAAMN Cc1nc(CN(C)Cc2nc3ccc(C)cc3[nH]2)n(C)c1C ZINC000952970161 650790896 /nfs/dbraw/zinc/79/08/96/650790896.db2.gz OELBEGOCJNOWHA-UHFFFAOYSA-N 0 1 297.406 2.854 50 0 CFAAMN CC1=NO[C@H](CNCc2ccc(C)cc2Cl)C1 ZINC000877871321 643612998 /nfs/dbraw/zinc/61/29/98/643612998.db2.gz MXKGUZOOGKDODO-LBPRGKRZSA-N 0 1 252.745 2.903 50 0 CFAAMN 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